Program PWSCF v.5.1.1 starts on 28Oct2015 at 20:50:14 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 111 33 9 6109 977 153 Max 112 34 10 6114 1000 158 Sum 5345 1597 465 293291 47497 7441 bravais-lattice index = 14 lattice parameter (alat) = 10.1913 a.u. unit-cell volume = 1058.4925 (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)= 10.191292 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= 231 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686274), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941176 0.2941176), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431372 0.3431372), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313725 0.4313725), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523809), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023809), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476190), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0043290 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0043290 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0043290 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0043290 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0043290 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0043290 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0043290 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0043290 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0043290 k( 11) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0043290 k( 12) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0043290 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0043290 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0043290 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0043290 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0043290 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0043290 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0043290 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0043290 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0043290 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0043290 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0043290 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0043290 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0043290 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0043290 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0043290 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0043290 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0043290 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0043290 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0043290 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 33) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0043290 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0043290 k( 35) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0043290 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0043290 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0043290 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0043290 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0043290 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0043290 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0043290 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0043290 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0043290 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0043290 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0043290 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0043290 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0043290 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0043290 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0043290 k( 50) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0043290 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0043290 k( 52) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0043290 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0043290 k( 54) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0043290 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0043290 k( 56) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0043290 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0043290 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0043290 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0043290 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0043290 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0043290 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 64) = ( 0.4880952 0.4880952 0.0000000), wk = 0.0043290 k( 65) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0043290 k( 66) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0043290 k( 67) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0043290 k( 68) = ( 0.4404762 0.4404762 0.0000000), wk = 0.0043290 k( 69) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0043290 k( 70) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0043290 k( 71) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0043290 k( 72) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0043290 k( 73) = ( 0.3809524 0.3809524 0.0000000), wk = 0.0043290 k( 74) = ( 0.3690476 0.3690476 0.0000000), wk = 0.0043290 k( 75) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0043290 k( 76) = ( 0.3452381 0.3452381 0.0000000), wk = 0.0043290 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0043290 k( 78) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0043290 k( 79) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0043290 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0043290 k( 81) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0043290 k( 82) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0043290 k( 83) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0043290 k( 84) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0043290 k( 85) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0043290 k( 86) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0043290 k( 87) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0043290 k( 88) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0043290 k( 89) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0043290 k( 90) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0043290 k( 91) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0043290 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0043290 k( 93) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0043290 k( 94) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0043290 k( 95) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0043290 k( 96) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0043290 k( 97) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0043290 k( 98) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0043290 k( 99) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0043290 k( 100) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0043290 k( 101) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0043290 k( 102) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0043290 k( 103) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0043290 k( 104) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0043290 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043290 k( 107) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0043290 k( 108) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0043290 k( 109) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0043290 k( 110) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0043290 k( 111) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0043290 k( 112) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0043290 k( 113) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0043290 k( 114) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0043290 k( 115) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0043290 k( 116) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0043290 k( 117) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0043290 k( 118) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0043290 k( 119) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0043290 k( 120) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0043290 k( 121) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0043290 k( 122) = ( 0.1568627 0.1568627 0.1568627), wk = 0.0043290 k( 123) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0043290 k( 124) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0043290 k( 125) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0043290 k( 126) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0043290 k( 127) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0043290 k( 128) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0043290 k( 129) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0043290 k( 130) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0043290 k( 131) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0043290 k( 132) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0043290 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0043290 k( 134) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0043290 k( 135) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0043290 k( 136) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0043290 k( 137) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0043290 k( 138) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0043290 k( 139) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0043290 k( 140) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0043290 k( 141) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0043290 k( 142) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0043290 k( 143) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0043290 k( 144) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0043290 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0043290 k( 146) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0043290 k( 147) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0043290 k( 148) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0043290 k( 149) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0043290 k( 150) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0043290 k( 151) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0043290 k( 152) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0043290 k( 153) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0043290 k( 154) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0043290 k( 155) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0043290 k( 156) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0043290 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 k( 159) = ( 0.4880952 0.5000000 0.4880952), wk = 0.0043290 k( 160) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0043290 k( 161) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0043290 k( 162) = ( 0.4523810 0.5000000 0.4523810), wk = 0.0043290 k( 163) = ( 0.4404762 0.5000000 0.4404762), wk = 0.0043290 k( 164) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0043290 k( 165) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0043290 k( 166) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0043290 k( 167) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0043290 k( 168) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0043290 k( 169) = ( 0.3690476 0.5000000 0.3690476), wk = 0.0043290 k( 170) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0043290 k( 171) = ( 0.3452381 0.5000000 0.3452381), wk = 0.0043290 k( 172) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0043290 k( 173) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0043290 k( 174) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0043290 k( 175) = ( 0.2976190 0.5000000 0.2976190), wk = 0.0043290 k( 176) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0043290 k( 177) = ( 0.2738095 0.5000000 0.2738095), wk = 0.0043290 k( 178) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0043290 k( 179) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0043290 k( 180) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0043290 k( 181) = ( 0.2261905 0.5000000 0.2261905), wk = 0.0043290 k( 182) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0043290 k( 183) = ( 0.2023810 0.5000000 0.2023810), wk = 0.0043290 k( 184) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0043290 k( 185) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0043290 k( 186) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0043290 k( 187) = ( 0.1547619 0.5000000 0.1547619), wk = 0.0043290 k( 188) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0043290 k( 189) = ( 0.1309524 0.5000000 0.1309524), wk = 0.0043290 k( 190) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0043290 k( 191) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0043290 k( 192) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0043290 k( 193) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0043290 k( 194) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0043290 k( 195) = ( 0.0595238 0.5000000 0.0595238), wk = 0.0043290 k( 196) = ( 0.0476191 0.5000000 0.0476191), wk = 0.0043290 k( 197) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0043290 k( 198) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0043290 k( 199) = ( 0.0119048 0.5000000 0.0119048), wk = 0.0043290 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043290 k( 201) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043290 k( 202) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0043290 k( 203) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0043290 k( 204) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0043290 k( 205) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0043290 k( 206) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0043290 k( 207) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0043290 k( 208) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0043290 k( 209) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0043290 k( 210) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0043290 k( 211) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0043290 k( 212) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0043290 k( 213) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0043290 k( 214) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0043290 k( 215) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0043290 k( 216) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0043290 k( 217) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0043290 k( 218) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0043290 k( 219) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0043290 k( 220) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0043290 k( 221) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0043290 k( 222) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0043290 k( 223) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0043290 k( 224) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0043290 k( 225) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0043290 k( 226) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0043290 k( 227) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0043290 k( 228) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0043290 k( 229) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0043290 k( 230) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0043290 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043290 Dense grid: 293291 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 47497 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 240, 84) NL pseudopotentials 0.50 Mb ( 120, 272) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 6111) G-vector shells 0.01 Mb ( 1080) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.23 Mb ( 240, 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 52.6 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.0 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.0 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.2 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.4 secs Computing kpt #: 6 total cpu time spent up to now is 110.7 secs Computing kpt #: 7 total cpu time spent up to now is 120.8 secs Computing kpt #: 8 total cpu time spent up to now is 126.9 secs Computing kpt #: 9 total cpu time spent up to now is 133.8 secs Computing kpt #: 10 total cpu time spent up to now is 142.9 secs Computing kpt #: 11 total cpu time spent up to now is 148.5 secs Computing kpt #: 12 total cpu time spent up to now is 154.1 secs Computing kpt #: 13 total cpu time spent up to now is 162.7 secs Computing kpt #: 14 total cpu time spent up to now is 167.9 secs Computing kpt #: 15 total cpu time spent up to now is 173.2 secs Computing kpt #: 16 total cpu time spent up to now is 179.3 secs Computing kpt #: 17 total cpu time spent up to now is 189.2 secs Computing kpt #: 18 total cpu time spent up to now is 194.5 secs Computing kpt #: 19 total cpu time spent up to now is 201.4 secs Computing kpt #: 20 total cpu time spent up to now is 207.8 secs Computing kpt #: 21 total cpu time spent up to now is 213.1 secs Computing kpt #: 22 total cpu time spent up to now is 218.3 secs Computing kpt #: 23 total cpu time spent up to now is 227.2 secs Computing kpt #: 24 total cpu time spent up to now is 232.5 secs Computing kpt #: 25 total cpu time spent up to now is 237.7 secs Computing kpt #: 26 total cpu time spent up to now is 242.8 secs Computing kpt #: 27 total cpu time spent up to now is 251.6 secs Computing kpt #: 28 total cpu time spent up to now is 256.7 secs Computing kpt #: 29 total cpu time spent up to now is 261.8 secs Computing kpt #: 30 total cpu time spent up to now is 266.8 secs Computing kpt #: 31 total cpu time spent up to now is 275.9 secs Computing kpt #: 32 total cpu time spent up to now is 281.0 secs Computing kpt #: 33 total cpu time spent up to now is 286.1 secs Computing kpt #: 34 total cpu time spent up to now is 292.1 secs Computing kpt #: 35 total cpu time spent up to now is 300.1 secs Computing kpt #: 36 total cpu time spent up to now is 305.6 secs Computing kpt #: 37 total cpu time spent up to now is 311.1 secs Computing kpt #: 38 total cpu time spent up to now is 319.7 secs Computing kpt #: 39 total cpu time spent up to now is 325.2 secs Computing kpt #: 40 total cpu time spent up to now is 330.7 secs Computing kpt #: 41 total cpu time spent up to now is 340.3 secs Computing kpt #: 42 total cpu time spent up to now is 346.3 secs Computing kpt #: 43 total cpu time spent up to now is 352.2 secs Computing kpt #: 44 total cpu time spent up to now is 360.8 secs Computing kpt #: 45 total cpu time spent up to now is 370.2 secs Computing kpt #: 46 total cpu time spent up to now is 377.7 secs Computing kpt #: 47 total cpu time spent up to now is 389.5 secs Computing kpt #: 48 total cpu time spent up to now is 397.3 secs Computing kpt #: 49 total cpu time spent up to now is 409.0 secs Computing kpt #: 50 total cpu time spent up to now is 416.4 secs Computing kpt #: 51 total cpu time spent up to now is 422.9 secs Computing kpt #: 52 total cpu time spent up to now is 432.9 secs Computing kpt #: 53 total cpu time spent up to now is 438.7 secs Computing kpt #: 54 total cpu time spent up to now is 444.5 secs Computing kpt #: 55 total cpu time spent up to now is 453.5 secs Computing kpt #: 56 total cpu time spent up to now is 459.2 secs Computing kpt #: 57 total cpu time spent up to now is 465.0 secs Computing kpt #: 58 total cpu time spent up to now is 472.3 secs Computing kpt #: 59 total cpu time spent up to now is 479.8 secs Computing kpt #: 60 total cpu time spent up to now is 487.5 secs Computing kpt #: 61 total cpu time spent up to now is 496.0 secs Computing kpt #: 62 total cpu time spent up to now is 501.2 secs Computing kpt #: 63 total cpu time spent up to now is 509.5 secs Computing kpt #: 64 total cpu time spent up to now is 515.1 secs Computing kpt #: 65 total cpu time spent up to now is 520.9 secs Computing kpt #: 66 total cpu time spent up to now is 527.5 secs Computing kpt #: 67 total cpu time spent up to now is 536.0 secs Computing kpt #: 68 total cpu time spent up to now is 541.6 secs Computing kpt #: 69 total cpu time spent up to now is 547.4 secs Computing kpt #: 70 total cpu time spent up to now is 556.8 secs Computing kpt #: 71 total cpu time spent up to now is 563.2 secs Computing kpt #: 72 total cpu time spent up to now is 571.4 secs Computing kpt #: 73 total cpu time spent up to now is 580.6 secs Computing kpt #: 74 total cpu time spent up to now is 594.1 secs Computing kpt #: 75 total cpu time spent up to now is 604.4 secs Computing kpt #: 76 total cpu time spent up to now is 614.7 secs Computing kpt #: 77 total cpu time spent up to now is 624.4 secs Computing kpt #: 78 total cpu time spent up to now is 631.9 secs Computing kpt #: 79 total cpu time spent up to now is 644.0 secs Computing kpt #: 80 total cpu time spent up to now is 652.2 secs Computing kpt #: 81 total cpu time spent up to now is 664.6 secs Computing kpt #: 82 total cpu time spent up to now is 673.1 secs Computing kpt #: 83 total cpu time spent up to now is 682.2 secs Computing kpt #: 84 total cpu time spent up to now is 692.3 secs Computing kpt #: 85 total cpu time spent up to now is 699.8 secs Computing kpt #: 86 total cpu time spent up to now is 712.1 secs Computing kpt #: 87 total cpu time spent up to now is 719.8 secs Computing kpt #: 88 total cpu time spent up to now is 728.9 secs Computing kpt #: 89 total cpu time spent up to now is 740.7 secs Computing kpt #: 90 total cpu time spent up to now is 753.4 secs Computing kpt #: 91 total cpu time spent up to now is 763.1 secs Computing kpt #: 92 total cpu time spent up to now is 776.1 secs Computing kpt #: 93 total cpu time spent up to now is 787.9 secs Computing kpt #: 94 total cpu time spent up to now is 802.1 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 813.2 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 827.7 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 839.8 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 853.6 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 865.3 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 878.6 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 889.5 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 900.3 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 911.1 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 921.8 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 932.0 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 942.3 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 952.8 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 963.2 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 973.8 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 984.5 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 995.0 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1005.6 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1016.1 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1026.7 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1037.3 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1048.0 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1058.7 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1069.5 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1080.4 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1091.9 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1102.9 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1113.6 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1124.5 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1135.5 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1146.2 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1157.1 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1167.9 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1179.0 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1189.8 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1200.8 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1211.8 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1222.7 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1233.5 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1244.3 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1255.6 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1266.5 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1277.6 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1288.5 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1299.5 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1310.4 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1321.4 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1332.3 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1343.3 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1354.2 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1365.7 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1376.7 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1389.4 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1400.4 secs Computing kpt #: 149 total cpu time spent up to now is 1409.6 secs Computing kpt #: 150 total cpu time spent up to now is 1418.9 secs Computing kpt #: 151 total cpu time spent up to now is 1426.9 secs Computing kpt #: 152 total cpu time spent up to now is 1433.8 secs Computing kpt #: 153 total cpu time spent up to now is 1440.7 secs Computing kpt #: 154 total cpu time spent up to now is 1447.6 secs Computing kpt #: 155 total cpu time spent up to now is 1454.4 secs Computing kpt #: 156 total cpu time spent up to now is 1460.9 secs Computing kpt #: 157 total cpu time spent up to now is 1470.4 secs Computing kpt #: 158 total cpu time spent up to now is 1476.7 secs Computing kpt #: 159 total cpu time spent up to now is 1484.1 secs Computing kpt #: 160 total cpu time spent up to now is 1491.2 secs Computing kpt #: 161 total cpu time spent up to now is 1498.0 secs Computing kpt #: 162 total cpu time spent up to now is 1504.3 secs Computing kpt #: 163 total cpu time spent up to now is 1510.9 secs Computing kpt #: 164 total cpu time spent up to now is 1517.3 secs Computing kpt #: 165 total cpu time spent up to now is 1523.6 secs Computing kpt #: 166 total cpu time spent up to now is 1529.7 secs Computing kpt #: 167 total cpu time spent up to now is 1535.1 secs Computing kpt #: 168 total cpu time spent up to now is 1540.6 secs Computing kpt #: 169 total cpu time spent up to now is 1545.9 secs Computing kpt #: 170 total cpu time spent up to now is 1551.3 secs Computing kpt #: 171 total cpu time spent up to now is 1556.5 secs Computing kpt #: 172 total cpu time spent up to now is 1561.8 secs Computing kpt #: 173 total cpu time spent up to now is 1567.4 secs Computing kpt #: 174 total cpu time spent up to now is 1572.7 secs Computing kpt #: 175 total cpu time spent up to now is 1578.2 secs Computing kpt #: 176 total cpu time spent up to now is 1583.4 secs Computing kpt #: 177 total cpu time spent up to now is 1588.7 secs Computing kpt #: 178 total cpu time spent up to now is 1594.3 secs Computing kpt #: 179 total cpu time spent up to now is 1599.9 secs Computing kpt #: 180 total cpu time spent up to now is 1605.8 secs Computing kpt #: 181 total cpu time spent up to now is 1611.8 secs Computing kpt #: 182 total cpu time spent up to now is 1617.9 secs Computing kpt #: 183 total cpu time spent up to now is 1624.6 secs Computing kpt #: 184 total cpu time spent up to now is 1632.6 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1643.9 secs Computing kpt #: 186 total cpu time spent up to now is 1654.3 secs Computing kpt #: 187 total cpu time spent up to now is 1662.0 secs Computing kpt #: 188 total cpu time spent up to now is 1669.1 secs Computing kpt #: 189 total cpu time spent up to now is 1675.3 secs Computing kpt #: 190 total cpu time spent up to now is 1681.7 secs Computing kpt #: 191 total cpu time spent up to now is 1690.0 secs Computing kpt #: 192 total cpu time spent up to now is 1695.9 secs Computing kpt #: 193 total cpu time spent up to now is 1701.6 secs Computing kpt #: 194 total cpu time spent up to now is 1707.1 secs Computing kpt #: 195 total cpu time spent up to now is 1712.4 secs Computing kpt #: 196 total cpu time spent up to now is 1717.7 secs Computing kpt #: 197 total cpu time spent up to now is 1723.0 secs Computing kpt #: 198 total cpu time spent up to now is 1728.2 secs Computing kpt #: 199 total cpu time spent up to now is 1733.5 secs Computing kpt #: 200 total cpu time spent up to now is 1738.6 secs Computing kpt #: 201 total cpu time spent up to now is 1743.9 secs Computing kpt #: 202 total cpu time spent up to now is 1749.1 secs Computing kpt #: 203 total cpu time spent up to now is 1754.5 secs Computing kpt #: 204 total cpu time spent up to now is 1760.0 secs Computing kpt #: 205 total cpu time spent up to now is 1765.4 secs Computing kpt #: 206 total cpu time spent up to now is 1770.9 secs Computing kpt #: 207 total cpu time spent up to now is 1776.3 secs Computing kpt #: 208 total cpu time spent up to now is 1782.4 secs Computing kpt #: 209 total cpu time spent up to now is 1788.0 secs Computing kpt #: 210 total cpu time spent up to now is 1793.8 secs Computing kpt #: 211 total cpu time spent up to now is 1799.6 secs Computing kpt #: 212 total cpu time spent up to now is 1805.7 secs Computing kpt #: 213 total cpu time spent up to now is 1811.9 secs Computing kpt #: 214 total cpu time spent up to now is 1818.3 secs Computing kpt #: 215 total cpu time spent up to now is 1824.5 secs Computing kpt #: 216 total cpu time spent up to now is 1830.8 secs Computing kpt #: 217 total cpu time spent up to now is 1837.1 secs Computing kpt #: 218 total cpu time spent up to now is 1843.4 secs Computing kpt #: 219 total cpu time spent up to now is 1849.9 secs Computing kpt #: 220 total cpu time spent up to now is 1856.3 secs Computing kpt #: 221 total cpu time spent up to now is 1862.6 secs Computing kpt #: 222 total cpu time spent up to now is 1869.1 secs Computing kpt #: 223 total cpu time spent up to now is 1875.6 secs Computing kpt #: 224 total cpu time spent up to now is 1882.3 secs Computing kpt #: 225 total cpu time spent up to now is 1889.0 secs Computing kpt #: 226 total cpu time spent up to now is 1895.7 secs Computing kpt #: 227 total cpu time spent up to now is 1902.3 secs Computing kpt #: 228 total cpu time spent up to now is 1909.0 secs Computing kpt #: 229 total cpu time spent up to now is 1915.7 secs Computing kpt #: 230 total cpu time spent up to now is 1922.2 secs Computing kpt #: 231 total cpu time spent up to now is 1928.3 secs ethr = 1.43E-11, avg # of iterations = 67.2 total cpu time spent up to now is 1928.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5420 -7.5420 -6.3293 -6.3293 -6.3241 -6.3241 -6.3241 -6.3241 0.4089 0.4089 0.4089 0.4089 1.1784 1.1784 1.9649 1.9649 1.9649 1.9649 2.0001 2.0001 2.5702 2.5702 2.6110 2.6110 2.6110 2.6110 3.2941 3.2941 3.2941 3.2941 3.2967 3.2967 3.3860 3.3860 3.3860 3.3860 3.8483 3.8483 3.9637 3.9637 3.9637 3.9637 4.0979 4.0979 4.0979 4.0979 4.1718 4.1718 4.7313 4.7313 4.8305 4.8305 4.8305 4.8305 4.9572 4.9572 5.7045 5.7045 5.7045 5.7045 5.7859 5.7859 7.4922 7.4922 7.4922 7.4922 8.1341 8.1341 8.1677 8.1677 8.1677 8.1677 9.0029 9.0029 11.3748 11.3754 k = 0.0000 0.0167-0.0000 ( 6007 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5414 -7.5414 -6.3296 -6.3296 -6.3247 -6.3247 -6.3241 -6.3241 0.4096 0.4096 0.4100 0.4100 1.1792 1.1792 1.9640 1.9640 1.9655 1.9655 1.9999 1.9999 2.5696 2.5696 2.6100 2.6100 2.6109 2.6109 3.2845 3.2845 3.2944 3.2944 3.2959 3.2959 3.3851 3.3851 3.3964 3.3964 3.8483 3.8483 3.9592 3.9592 3.9681 3.9681 4.0951 4.0951 4.1011 4.1011 4.1717 4.1717 4.7312 4.7312 4.8273 4.8273 4.8332 4.8332 4.9571 4.9571 5.7033 5.7033 5.7049 5.7049 5.7854 5.7854 7.4923 7.4923 7.4928 7.4928 8.1331 8.1331 8.1654 8.1654 8.1678 8.1678 9.0098 9.0098 11.3732 11.3749 k = 0.0000 0.0333-0.0000 ( 5991 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5395 -7.5395 -6.3309 -6.3309 -6.3258 -6.3258 -6.3241 -6.3241 0.4115 0.4115 0.4132 0.4132 1.1816 1.1816 1.9619 1.9619 1.9664 1.9664 1.9995 1.9995 2.5678 2.5678 2.6071 2.6071 2.6102 2.6102 3.2622 3.2622 3.2937 3.2937 3.2950 3.2950 3.3860 3.3860 3.4169 3.4169 3.8481 3.8481 3.9544 3.9544 3.9722 3.9722 4.0921 4.0921 4.1052 4.1052 4.1712 4.1712 4.7308 4.7308 4.8232 4.8232 4.8354 4.8354 4.9566 4.9566 5.6996 5.6996 5.7057 5.7057 5.7839 5.7839 7.4927 7.4927 7.4942 7.4942 8.1293 8.1293 8.1600 8.1600 8.1680 8.1680 9.0302 9.0302 11.3674 11.3674 k = 0.0000 0.0500-0.0000 ( 5983 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5365 -7.5365 -6.3342 -6.3342 -6.3266 -6.3266 -6.3240 -6.3240 0.4148 0.4148 0.4185 0.4185 1.1855 1.1855 1.9583 1.9583 1.9677 1.9677 1.9992 1.9992 2.5646 2.5646 2.6026 2.6026 2.6090 2.6090 3.2342 3.2342 3.2925 3.2925 3.2937 3.2937 3.3877 3.3877 3.4415 3.4415 3.8477 3.8477 3.9495 3.9495 3.9762 3.9762 4.0883 4.0883 4.1104 4.1104 4.1706 4.1706 4.7300 4.7300 4.8181 4.8181 4.8374 4.8374 4.9557 4.9557 5.6933 5.6933 5.7070 5.7070 5.7818 5.7818 7.4932 7.4932 7.4966 7.4966 8.1202 8.1202 8.1547 8.1547 8.1685 8.1685 9.0630 9.0630 11.3584 11.3584 k = 0.0000 0.0667-0.0000 ( 5967 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8608 -31.8608 -7.5322 -7.5322 -6.3395 -6.3395 -6.3268 -6.3268 -6.3239 -6.3239 0.4194 0.4194 0.4259 0.4259 1.1909 1.1909 1.9526 1.9526 1.9696 1.9696 1.9993 1.9993 2.5594 2.5594 2.5969 2.5969 2.6074 2.6074 3.2033 3.2033 3.2909 3.2909 3.2919 3.2919 3.3900 3.3900 3.4677 3.4677 3.8470 3.8470 3.9446 3.9446 3.9802 3.9802 4.0836 4.0836 4.1167 4.1167 4.1702 4.1702 4.7286 4.7286 4.8121 4.8121 4.8394 4.8394 4.9546 4.9546 5.6840 5.6840 5.7087 5.7087 5.7794 5.7794 7.4938 7.4938 7.4999 7.4999 8.1050 8.1050 8.1519 8.1519 8.1691 8.1691 9.1067 9.1067 11.3470 11.3470 k = 0.0000 0.0833-0.0000 ( 5951 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8608 -31.8608 -7.5267 -7.5267 -6.3467 -6.3467 -6.3269 -6.3269 -6.3238 -6.3238 0.4252 0.4252 0.4354 0.4354 1.1979 1.1979 1.9448 1.9448 1.9720 1.9720 2.0001 2.0001 2.5519 2.5519 2.5908 2.5908 2.6053 2.6053 3.1706 3.1706 3.2888 3.2888 3.2898 3.2898 3.3931 3.3931 3.4942 3.4942 3.8461 3.8461 3.9399 3.9399 3.9843 3.9843 4.0777 4.0777 4.1236 4.1236 4.1702 4.1702 4.7264 4.7264 4.8050 4.8050 4.8417 4.8417 4.9532 4.9532 5.6715 5.6715 5.7109 5.7109 5.7772 5.7772 7.4942 7.4942 7.5040 7.5040 8.0856 8.0856 8.1510 8.1510 8.1697 8.1697 9.1597 9.1597 11.3340 11.3340 k = 0.0000 0.1000-0.0000 ( 5951 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8608 -31.8608 -7.5201 -7.5201 -6.3554 -6.3554 -6.3268 -6.3268 -6.3237 -6.3237 0.4322 0.4322 0.4470 0.4470 1.2064 1.2064 1.9346 1.9346 1.9748 1.9748 2.0017 2.0017 2.5414 2.5414 2.5847 2.5847 2.6028 2.6028 3.1365 3.1365 3.2863 3.2863 3.2871 3.2871 3.3965 3.3965 3.5207 3.5207 3.8448 3.8448 3.9355 3.9355 3.9884 3.9884 4.0706 4.0706 4.1306 4.1306 4.1711 4.1711 4.7234 4.7234 4.7969 4.7969 4.8444 4.8444 4.9515 4.9515 5.6558 5.6558 5.7135 5.7135 5.7755 5.7755 7.4944 7.4944 7.5089 7.5089 8.0642 8.0642 8.1511 8.1511 8.1704 8.1704 9.2205 9.2205 11.3202 11.3202 k = 0.0000 0.1167-0.0000 ( 5947 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8608 -31.8608 -7.5122 -7.5122 -6.3657 -6.3657 -6.3267 -6.3267 -6.3236 -6.3236 0.4405 0.4405 0.4605 0.4605 1.2165 1.2165 1.9222 1.9222 1.9781 1.9781 2.0041 2.0041 2.5279 2.5279 2.5790 2.5790 2.5999 2.5999 3.1011 3.1011 3.2834 3.2834 3.2841 3.2841 3.4005 3.4005 3.5471 3.5471 3.8430 3.8430 3.9318 3.9318 3.9927 3.9927 4.0625 4.0625 4.1370 4.1370 4.1735 4.1735 4.7193 4.7193 4.7879 4.7879 4.8476 4.8476 4.9496 4.9496 5.6372 5.6372 5.7163 5.7163 5.7742 5.7742 7.4941 7.4941 7.5146 7.5146 8.0424 8.0424 8.1517 8.1517 8.1711 8.1711 9.2880 9.2880 11.3063 11.3063 k = 0.0000 0.1333-0.0000 ( 5923 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8608 -31.8608 -7.5033 -7.5033 -6.3775 -6.3775 -6.3265 -6.3265 -6.3235 -6.3235 0.4499 0.4499 0.4760 0.4760 1.2280 1.2280 1.9076 1.9076 1.9819 1.9819 2.0071 2.0071 2.5117 2.5117 2.5737 2.5737 2.5966 2.5966 3.0647 3.0647 3.2801 3.2801 3.2808 3.2808 3.4049 3.4049 3.5734 3.5734 3.8409 3.8409 3.9287 3.9287 3.9969 3.9969 4.0535 4.0535 4.1421 4.1421 4.1780 4.1780 4.7141 4.7141 4.7782 4.7782 4.8515 4.8515 4.9475 4.9475 5.6159 5.6159 5.7194 5.7194 5.7734 5.7734 7.4931 7.4931 7.5208 7.5208 8.0212 8.0212 8.1525 8.1525 8.1717 8.1717 9.3609 9.3609 11.2929 11.2929 k = 0.0000 0.1500-0.0000 ( 5927 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8608 -31.8608 -7.4933 -7.4933 -6.3907 -6.3907 -6.3263 -6.3263 -6.3233 -6.3233 0.4603 0.4603 0.4934 0.4934 1.2411 1.2411 1.8910 1.8910 1.9861 1.9861 2.0107 2.0107 2.4929 2.4929 2.5685 2.5685 2.5928 2.5928 3.0272 3.0272 3.2764 3.2764 3.2772 3.2772 3.4096 3.4096 3.5992 3.5992 3.8383 3.8383 3.9262 3.9262 4.0009 4.0009 4.0441 4.0441 4.1457 4.1457 4.1846 4.1846 4.7079 4.7079 4.7678 4.7678 4.8558 4.8558 4.9453 4.9453 5.5922 5.5922 5.7227 5.7227 5.7730 5.7730 7.4913 7.4913 7.5276 7.5276 8.0014 8.0014 8.1533 8.1533 8.1721 8.1721 9.4384 9.4384 11.2803 11.2803 k = 0.0000 0.1667-0.0000 ( 5919 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8610 -31.8610 -31.8608 -31.8608 -7.4822 -7.4822 -6.4051 -6.4051 -6.3261 -6.3261 -6.3232 -6.3232 0.4718 0.4718 0.5126 0.5126 1.2556 1.2556 1.8725 1.8725 1.9907 1.9907 2.0149 2.0149 2.4721 2.4721 2.5633 2.5633 2.5888 2.5888 2.9886 2.9886 3.2725 3.2725 3.2733 3.2733 3.4147 3.4147 3.6246 3.6246 3.8355 3.8355 3.9246 3.9246 4.0042 4.0042 4.0349 4.0349 4.1481 4.1481 4.1927 4.1927 4.7008 4.7008 4.7569 4.7569 4.8607 4.8607 4.9431 4.9431 5.5666 5.5666 5.7262 5.7262 5.7730 5.7730 7.4886 7.4886 7.5348 7.5348 7.9835 7.9835 8.1541 8.1541 8.1724 8.1724 9.5196 9.5196 11.2690 11.2690 k = 0.0000 0.1833-0.0000 ( 5939 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8610 -31.8610 -31.8608 -31.8608 -7.4701 -7.4701 -6.4208 -6.4208 -6.3258 -6.3258 -6.3230 -6.3230 0.4843 0.4843 0.5336 0.5336 1.2716 1.2716 1.8521 1.8521 1.9956 1.9956 2.0194 2.0194 2.4495 2.4495 2.5580 2.5580 2.5844 2.5844 2.9492 2.9492 3.2682 3.2682 3.2693 3.2693 3.4199 3.4199 3.6495 3.6495 3.8324 3.8324 3.9235 3.9235 4.0046 4.0046 4.0281 4.0281 4.1497 4.1497 4.2017 4.2017 4.6928 4.6928 4.7456 4.7456 4.8659 4.8659 4.9408 4.9408 5.5395 5.5395 5.7297 5.7297 5.7732 5.7732 7.4849 7.4849 7.5423 7.5423 7.9677 7.9677 8.1547 8.1547 8.1725 8.1725 9.6039 9.6039 11.2591 11.2591 k = 0.0000 0.2000-0.0000 ( 5943 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8610 -31.8610 -31.8608 -31.8608 -7.4570 -7.4570 -6.4377 -6.4377 -6.3256 -6.3256 -6.3228 -6.3228 0.4976 0.4976 0.5562 0.5562 1.2890 1.2890 1.8301 1.8301 2.0009 2.0009 2.0244 2.0244 2.4254 2.4254 2.5525 2.5525 2.5797 2.5797 2.9088 2.9088 3.2638 3.2638 3.2650 3.2650 3.4254 3.4254 3.6738 3.6738 3.8295 3.8295 3.9230 3.9230 3.9997 3.9997 4.0266 4.0266 4.1509 4.1509 4.2111 4.2111 4.6842 4.6842 4.7341 4.7341 4.8715 4.8715 4.9386 4.9386 5.5111 5.5111 5.7332 5.7332 5.7737 5.7737 7.4801 7.4801 7.5501 7.5501 7.9543 7.9543 8.1552 8.1552 8.1723 8.1723 9.6906 9.6906 11.2507 11.2507 k = 0.0000 0.2167-0.0000 ( 5947 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8610 -31.8610 -31.8608 -31.8608 -7.4430 -7.4430 -6.4555 -6.4555 -6.3253 -6.3253 -6.3227 -6.3227 0.5117 0.5117 0.5805 0.5805 1.3078 1.3078 1.8064 1.8064 2.0065 2.0065 2.0297 2.0297 2.4001 2.4001 2.5470 2.5470 2.5748 2.5748 2.8677 2.8677 3.2593 3.2593 3.2607 3.2607 3.4311 3.4311 3.6971 3.6971 3.8270 3.8270 3.9230 3.9230 3.9906 3.9906 4.0291 4.0291 4.1520 4.1520 4.2203 4.2203 4.6751 4.6751 4.7225 4.7225 4.8772 4.8772 4.9366 4.9366 5.4819 5.4819 5.7366 5.7366 5.7743 5.7743 7.4744 7.4744 7.5580 7.5580 7.9430 7.9430 8.1555 8.1555 8.1718 8.1718 9.7790 9.7790 11.2440 11.2440 k = 0.0000 0.2333-0.0000 ( 5939 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8611 -31.8611 -31.8608 -31.8608 -7.4282 -7.4282 -6.4743 -6.4743 -6.3250 -6.3250 -6.3225 -6.3225 0.5265 0.5265 0.6063 0.6063 1.3278 1.3278 1.7813 1.7813 2.0123 2.0123 2.0353 2.0353 2.3739 2.3739 2.5413 2.5413 2.5697 2.5697 2.8260 2.8260 3.2546 3.2546 3.2562 3.2562 3.4367 3.4367 3.7189 3.7189 3.8256 3.8256 3.9235 3.9235 3.9801 3.9801 4.0332 4.0332 4.1529 4.1529 4.2291 4.2291 4.6658 4.6658 4.7110 4.7110 4.8830 4.8830 4.9347 4.9347 5.4522 5.4522 5.7401 5.7401 5.7752 5.7752 7.4679 7.4679 7.5659 7.5659 7.9340 7.9340 8.1555 8.1555 8.1711 8.1711 9.8688 9.8688 11.2389 11.2389 k = 0.0000 0.2500-0.0000 ( 5930 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8611 -31.8611 -31.8608 -31.8608 -7.4126 -7.4126 -6.4939 -6.4939 -6.3247 -6.3247 -6.3223 -6.3223 0.5418 0.5418 0.6335 0.6335 1.3492 1.3492 1.7548 1.7548 2.0183 2.0183 2.0410 2.0410 2.3470 2.3470 2.5355 2.5355 2.5645 2.5645 2.7837 2.7837 3.2499 3.2499 3.2517 3.2517 3.4425 3.4425 3.7384 3.7384 3.8262 3.8262 3.9243 3.9243 3.9693 3.9693 4.0379 4.0379 4.1539 4.1539 4.2372 4.2372 4.6564 4.6564 4.6996 4.6996 4.8888 4.8888 4.9332 4.9332 5.4222 5.4222 5.7434 5.7434 5.7761 5.7761 7.4607 7.4607 7.5738 7.5738 7.9270 7.9270 8.1553 8.1553 8.1700 8.1700 9.9592 9.9592 11.2353 11.2353 k = 0.0000 0.2667-0.0000 ( 5934 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8611 -31.8611 -31.8608 -31.8608 -7.3964 -7.3964 -6.5141 -6.5141 -6.3244 -6.3244 -6.3221 -6.3221 0.5576 0.5576 0.6620 0.6620 1.3717 1.3717 1.7270 1.7270 2.0244 2.0244 2.0469 2.0469 2.3197 2.3197 2.5296 2.5296 2.5591 2.5591 2.7410 2.7410 3.2453 3.2453 3.2472 3.2472 3.4482 3.4482 3.7538 3.7538 3.8304 3.8304 3.9253 3.9253 3.9587 3.9587 4.0427 4.0427 4.1549 4.1549 4.2444 4.2444 4.6470 4.6470 4.6885 4.6885 4.8947 4.8947 4.9321 4.9321 5.3921 5.3921 5.7464 5.7464 5.7770 5.7770 7.4530 7.4530 7.5815 7.5815 7.9217 7.9217 8.1548 8.1548 8.1687 8.1687 10.0496 10.0496 11.2332 11.2332 k = 0.0000 0.2833-0.0000 ( 5946 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8612 -31.8612 -31.8608 -31.8608 -7.3796 -7.3796 -6.5348 -6.5348 -6.3241 -6.3241 -6.3219 -6.3219 0.5736 0.5736 0.6917 0.6917 1.3952 1.3952 1.6981 1.6981 2.0305 2.0305 2.0528 2.0528 2.2923 2.2923 2.5236 2.5236 2.5537 2.5537 2.6983 2.6983 3.2407 3.2407 3.2427 3.2427 3.4537 3.4537 3.7638 3.7638 3.8394 3.8394 3.9264 3.9264 3.9485 3.9485 4.0473 4.0473 4.1558 4.1558 4.2505 4.2505 4.6377 4.6377 4.6777 4.6777 4.9004 4.9004 4.9316 4.9316 5.3622 5.3622 5.7493 5.7493 5.7780 5.7780 7.4451 7.4451 7.5890 7.5890 7.9179 7.9179 8.1541 8.1541 8.1671 8.1671 10.1396 10.1396 11.2324 11.2324 k = 0.0000 0.3000-0.0000 ( 5930 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8612 -31.8612 -31.8608 -31.8608 -7.3624 -7.3624 -6.5559 -6.5559 -6.3238 -6.3238 -6.3218 -6.3218 0.5897 0.5897 0.7225 0.7225 1.4196 1.4196 1.6683 1.6683 2.0367 2.0367 2.0588 2.0588 2.2652 2.2652 2.5174 2.5174 2.5483 2.5483 2.6557 2.6557 3.2362 3.2362 3.2383 3.2383 3.4593 3.4593 3.7686 3.7686 3.8531 3.8531 3.9278 3.9278 3.9393 3.9393 4.0519 4.0519 4.1568 4.1568 4.2553 4.2553 4.6289 4.6289 4.6675 4.6675 4.9059 4.9059 4.9317 4.9317 5.3327 5.3327 5.7521 5.7521 5.7792 5.7792 7.4370 7.4370 7.5962 7.5962 7.9154 7.9154 8.1532 8.1532 8.1653 8.1653 10.2285 10.2285 11.2326 11.2326 k = 0.0000 0.3167-0.0000 ( 5922 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8612 -31.8612 -31.8608 -31.8608 -7.3448 -7.3448 -6.5772 -6.5772 -6.3235 -6.3235 -6.3216 -6.3216 0.6057 0.6057 0.7541 0.7541 1.4447 1.4447 1.6378 1.6378 2.0429 2.0429 2.0648 2.0648 2.2385 2.2385 2.5109 2.5109 2.5430 2.5430 2.6137 2.6137 3.2319 3.2319 3.2341 3.2341 3.4646 3.4646 3.7697 3.7697 3.8689 3.8689 3.9294 3.9294 3.9315 3.9315 4.0563 4.0563 4.1577 4.1577 4.2589 4.2589 4.6204 4.6204 4.6578 4.6578 4.9112 4.9112 4.9329 4.9329 5.3037 5.3037 5.7546 5.7546 5.7803 5.7803 7.4291 7.4291 7.6031 7.6031 7.9139 7.9139 8.1521 8.1521 8.1633 8.1633 10.3156 10.3156 11.2336 11.2336 k = 0.0000 0.3333-0.0000 ( 5918 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8612 -31.8612 -31.8608 -31.8608 -7.3271 -7.3271 -6.5984 -6.5984 -6.3232 -6.3232 -6.3215 -6.3215 0.6214 0.6214 0.7864 0.7864 1.4698 1.4698 1.6071 1.6071 2.0489 2.0489 2.0706 2.0706 2.2126 2.2126 2.5034 2.5034 2.5378 2.5378 2.5732 2.5732 3.2279 3.2279 3.2300 3.2300 3.4697 3.4697 3.7689 3.7689 3.8836 3.8836 3.9263 3.9263 3.9319 3.9319 4.0603 4.0603 4.1587 4.1587 4.2608 4.2608 4.6125 4.6125 4.6486 4.6486 4.9159 4.9159 4.9353 4.9353 5.2754 5.2754 5.7568 5.7568 5.7815 5.7815 7.4214 7.4214 7.6095 7.6095 7.9132 7.9132 8.1509 8.1509 8.1612 8.1612 10.4002 10.4002 11.2352 11.2352 k = 0.0000 0.3500-0.0000 ( 5926 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8613 -31.8613 -31.8608 -31.8608 -7.3095 -7.3095 -6.6193 -6.6193 -6.3230 -6.3230 -6.3213 -6.3213 0.6367 0.6367 0.8193 0.8193 1.4940 1.4940 1.5772 1.5772 2.0546 2.0546 2.0761 2.0761 2.1879 2.1879 2.4929 2.4929 2.5327 2.5327 2.5370 2.5370 3.2241 3.2241 3.2261 3.2261 3.4745 3.4745 3.7670 3.7670 3.8920 3.8920 3.9259 3.9259 3.9373 3.9373 4.0639 4.0639 4.1596 4.1596 4.2614 4.2614 4.6051 4.6051 4.6401 4.6401 4.9198 4.9198 4.9393 4.9393 5.2479 5.2479 5.7587 5.7587 5.7827 5.7827 7.4141 7.4141 7.6155 7.6155 7.9131 7.9131 8.1496 8.1496 8.1591 8.1591 10.4816 10.4816 11.2369 11.2369 k = 0.0000 0.3667-0.0000 ( 5950 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8613 -31.8613 -31.8608 -31.8608 -7.2922 -7.2922 -6.6397 -6.6397 -6.3227 -6.3227 -6.3212 -6.3212 0.6512 0.6512 0.8524 0.8524 1.5106 1.5106 1.5545 1.5545 2.0601 2.0601 2.0814 2.0814 2.1646 2.1646 2.4720 2.4720 2.5125 2.5125 2.5280 2.5280 3.2205 3.2205 3.2225 3.2225 3.4790 3.4790 3.7646 3.7646 3.8922 3.8922 3.9280 3.9280 3.9489 3.9489 4.0671 4.0671 4.1603 4.1603 4.2604 4.2604 4.5984 4.5984 4.6323 4.6323 4.9227 4.9227 4.9452 4.9452 5.2212 5.2212 5.7605 5.7605 5.7838 5.7838 7.4073 7.4073 7.6210 7.6210 7.9134 7.9134 8.1482 8.1482 8.1569 8.1569 10.5590 10.5590 11.2385 11.2385 k = 0.0000 0.3833-0.0000 ( 5954 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8613 -31.8613 -31.8608 -31.8608 -7.2755 -7.2755 -6.6592 -6.6592 -6.3225 -6.3225 -6.3211 -6.3211 0.6648 0.6648 0.8855 0.8855 1.4983 1.4983 1.5606 1.5606 2.0652 2.0652 2.0863 2.0863 2.1430 2.1430 2.4401 2.4401 2.5012 2.5012 2.5235 2.5235 3.2173 3.2173 3.2192 3.2192 3.4831 3.4831 3.7621 3.7621 3.8886 3.8886 3.9297 3.9297 3.9651 3.9651 4.0698 4.0698 4.1612 4.1612 4.2581 4.2581 4.5924 4.5924 4.6253 4.6253 4.9250 4.9250 4.9527 4.9527 5.1954 5.1954 5.7619 5.7619 5.7849 5.7849 7.4012 7.4012 7.6259 7.6259 7.9139 7.9139 8.1469 8.1469 8.1548 8.1548 10.6315 10.6315 11.2396 11.2396 k = 0.0000 0.4000-0.0000 ( 5962 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8613 -31.8613 -31.8608 -31.8608 -7.2597 -7.2597 -6.6775 -6.6775 -6.3222 -6.3222 -6.3211 -6.3211 0.6772 0.6772 0.9181 0.9181 1.4702 1.4702 1.5818 1.5818 2.0698 2.0698 2.0907 2.0907 2.1236 2.1236 2.4061 2.4061 2.4947 2.4947 2.5195 2.5195 3.2145 3.2145 3.2162 3.2162 3.4869 3.4869 3.7597 3.7597 3.8843 3.8843 3.9309 3.9309 3.9826 3.9826 4.0719 4.0719 4.1619 4.1619 4.2547 4.2547 4.5871 4.5871 4.6191 4.6191 4.9269 4.9269 4.9617 4.9617 5.1707 5.1707 5.7632 5.7632 5.7859 5.7859 7.3958 7.3958 7.6302 7.6302 7.9146 7.9146 8.1456 8.1456 8.1528 8.1528 10.6982 10.6982 11.2400 11.2400 k = 0.0000 0.4167-0.0000 ( 5950 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8613 -31.8613 -31.8608 -31.8608 -7.2452 -7.2452 -6.6942 -6.6942 -6.3220 -6.3220 -6.3210 -6.3210 0.6882 0.6882 0.9497 0.9497 1.4404 1.4404 1.6043 1.6043 2.0739 2.0739 2.0946 2.0946 2.1067 2.1067 2.3739 2.3739 2.4900 2.4900 2.5160 2.5160 3.2121 3.2121 3.2136 3.2136 3.4901 3.4901 3.7575 3.7575 3.8802 3.8802 3.9317 3.9317 3.9998 3.9998 4.0733 4.0733 4.1626 4.1626 4.2505 4.2505 4.5827 4.5827 4.6138 4.6138 4.9285 4.9285 4.9720 4.9720 5.1470 5.1470 5.7643 5.7643 5.7869 5.7869 7.3911 7.3911 7.6339 7.6339 7.9153 7.9153 8.1445 8.1445 8.1510 8.1510 10.7580 10.7580 11.2395 11.2395 k = 0.0000 0.4333-0.0000 ( 5934 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8613 -31.8613 -31.8608 -31.8608 -7.2324 -7.2324 -6.7087 -6.7087 -6.3218 -6.3218 -6.3210 -6.3210 0.6976 0.6976 0.9795 0.9795 1.4117 1.4117 1.6251 1.6251 2.0772 2.0772 2.0923 2.0923 2.0982 2.0982 2.3452 2.3452 2.4864 2.4864 2.5130 2.5130 3.2102 3.2102 3.2114 3.2114 3.4929 3.4929 3.7555 3.7555 3.8768 3.8768 3.9325 3.9325 4.0160 4.0160 4.0738 4.0738 4.1633 4.1633 4.2459 4.2459 4.5790 4.5790 4.6094 4.6094 4.9299 4.9299 4.9836 4.9836 5.1244 5.1244 5.7651 5.7651 5.7877 5.7877 7.3872 7.3872 7.6369 7.6369 7.9160 7.9160 8.1436 8.1436 8.1494 8.1494 10.8099 10.8099 11.2381 11.2381 k = 0.0000 0.4500-0.0000 ( 5934 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8608 -31.8608 -7.2218 -7.2218 -6.7208 -6.7208 -6.3217 -6.3217 -6.3210 -6.3210 0.7051 0.7051 1.0061 1.0061 1.3857 1.3857 1.6430 1.6430 2.0782 2.0782 2.0827 2.0827 2.1007 2.1007 2.3211 2.3211 2.4836 2.4836 2.5106 2.5106 3.2086 3.2086 3.2096 3.2096 3.4951 3.4951 3.7539 3.7539 3.8739 3.8739 3.9330 3.9330 4.0307 4.0307 4.0732 4.0732 4.1638 4.1638 4.2412 4.2412 4.5762 4.5762 4.6059 4.6059 4.9309 4.9309 4.9965 4.9965 5.1030 5.1030 5.7657 5.7657 5.7883 5.7883 7.3841 7.3841 7.6393 7.6393 7.9166 7.9166 8.1428 8.1428 8.1481 8.1481 10.8526 10.8526 11.2359 11.2359 k = 0.0000 0.4667-0.0000 ( 5926 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8608 -31.8608 -7.2138 -7.2138 -6.7298 -6.7298 -6.3216 -6.3216 -6.3209 -6.3209 0.7106 0.7106 1.0279 1.0279 1.3644 1.3644 1.6568 1.6568 2.0718 2.0718 2.0830 2.0830 2.1026 2.1026 2.3028 2.3028 2.4816 2.4816 2.5088 2.5088 3.2076 3.2076 3.2083 3.2083 3.4967 3.4967 3.7527 3.7527 3.8719 3.8719 3.9333 3.9333 4.0434 4.0434 4.0713 4.0713 4.1643 4.1643 4.2373 4.2373 4.5741 4.5741 4.6034 4.6034 4.9316 4.9316 5.0104 5.0104 5.0830 5.0830 5.7662 5.7662 5.7888 5.7888 7.3819 7.3819 7.6410 7.6410 7.9171 7.9171 8.1422 8.1422 8.1472 8.1472 10.8846 10.8846 11.2335 11.2335 k = 0.0000 0.4833-0.0000 ( 5926 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8608 -31.8608 -7.2088 -7.2088 -6.7354 -6.7354 -6.3215 -6.3215 -6.3209 -6.3209 0.7139 0.7139 1.0425 1.0425 1.3500 1.3500 1.6656 1.6656 2.0669 2.0669 2.0841 2.0841 2.1038 2.1038 2.2913 2.2913 2.4804 2.4804 2.5078 2.5078 3.2070 3.2070 3.2075 3.2075 3.4977 3.4977 3.7520 3.7520 3.8707 3.8707 3.9335 3.9335 4.0538 4.0538 4.0677 4.0677 4.1645 4.1645 4.2346 4.2346 4.5729 4.5729 4.6019 4.6019 4.9321 4.9321 5.0249 5.0249 5.0648 5.0648 5.7665 5.7665 5.7891 5.7891 7.3806 7.3806 7.6421 7.6421 7.9174 7.9174 8.1419 8.1419 8.1466 8.1466 10.9046 10.9046 11.2316 11.2316 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8608 -31.8608 -7.2071 -7.2071 -6.7373 -6.7373 -6.3215 -6.3215 -6.3209 -6.3209 0.7151 0.7151 1.0477 1.0477 1.3448 1.3448 1.6686 1.6686 2.0652 2.0652 2.0844 2.0844 2.1041 2.1041 2.2873 2.2873 2.4800 2.4800 2.5074 2.5074 3.2068 3.2068 3.2072 3.2072 3.4980 3.4980 3.7517 3.7517 3.8702 3.8702 3.9336 3.9336 4.0611 4.0611 4.0626 4.0626 4.1646 4.1646 4.2336 4.2336 4.5724 4.5724 4.6013 4.6013 4.9322 4.9322 5.0347 5.0347 5.0537 5.0537 5.7665 5.7665 5.7892 5.7892 7.3802 7.3802 7.6424 7.6424 7.9175 7.9175 8.1418 8.1418 8.1464 8.1464 10.9114 10.9114 11.2309 11.2309 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8608 -31.8608 -7.2071 -7.2071 -6.7373 -6.7373 -6.3215 -6.3215 -6.3209 -6.3209 0.7151 0.7151 1.0477 1.0477 1.3448 1.3448 1.6686 1.6686 2.0652 2.0652 2.0844 2.0844 2.1041 2.1041 2.2873 2.2873 2.4800 2.4800 2.5074 2.5074 3.2068 3.2068 3.2072 3.2072 3.4980 3.4980 3.7517 3.7517 3.8702 3.8702 3.9336 3.9336 4.0611 4.0611 4.0626 4.0626 4.1646 4.1646 4.2336 4.2336 4.5724 4.5724 4.6013 4.6013 4.9322 4.9322 5.0347 5.0347 5.0537 5.0537 5.7665 5.7665 5.7892 5.7892 7.3802 7.3802 7.6424 7.6424 7.9175 7.9175 8.1418 8.1418 8.1464 8.1464 10.9114 10.9114 11.2309 11.2309 k = 0.0167 0.5000-0.0000 ( 5930 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8608 -31.8608 -7.2066 -7.2066 -6.7371 -6.7370 -6.3220 -6.3218 -6.3213 -6.3212 0.7153 0.7159 1.0476 1.0479 1.3444 1.3449 1.6685 1.6691 2.0645 2.0657 2.0831 2.0853 2.1038 2.1039 2.2876 2.2881 2.4795 2.4796 2.5069 2.5072 3.2039 3.2046 3.2062 3.2063 3.4991 3.4995 3.7501 3.7533 3.8667 3.8737 3.9208 3.9476 4.0548 4.0582 4.0635 4.0709 4.1570 4.1755 4.2306 4.2374 4.5658 4.5749 4.5947 4.6066 4.9302 4.9411 5.0320 5.0357 5.0498 5.0589 5.7629 5.7688 5.7883 5.7887 7.3805 7.3819 7.6421 7.6429 7.9178 7.9189 8.1412 8.1420 8.1460 8.1470 10.9128 10.9131 11.2327 11.2348 k = 0.0333 0.5000-0.0000 ( 5930 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8608 -31.8608 -7.2051 -7.2050 -6.7364 -6.7364 -6.3236 -6.3234 -6.3220 -6.3219 0.7167 0.7179 1.0476 1.0481 1.3437 1.3447 1.6690 1.6702 2.0635 2.0658 2.0812 2.0856 2.1029 2.1030 2.2888 2.2899 2.4783 2.4784 2.5055 2.5064 3.1977 3.1985 3.2016 3.2025 3.5026 3.5034 3.7486 3.7547 3.8633 3.8766 3.9096 3.9623 4.0490 4.0539 4.0627 4.0815 4.1533 4.1886 4.2284 4.2423 4.5526 4.5750 4.5904 4.6079 4.9356 4.9549 5.0280 5.0349 5.0466 5.0656 5.7579 5.7696 5.7860 5.7867 7.3827 7.3856 7.6420 7.6434 7.9198 7.9221 8.1394 8.1404 8.1467 8.1493 10.9173 10.9180 11.2403 11.2446 k = 0.0500 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8609 -31.8609 -7.2025 -7.2024 -6.7353 -6.7352 -6.3264 -6.3261 -6.3231 -6.3230 0.7192 0.7210 1.0477 1.0484 1.3425 1.3441 1.6700 1.6717 2.0622 2.0654 2.0790 2.0853 2.1014 2.1015 2.2909 2.2927 2.4762 2.4764 2.5034 2.5050 3.1885 3.1892 3.1936 3.1956 3.5082 3.5094 3.7472 3.7559 3.8603 3.8780 3.9010 3.9774 4.0446 4.0495 4.0595 4.0936 4.1531 4.2020 4.2280 4.2487 4.5341 4.5731 4.5886 4.6051 4.9475 4.9711 5.0231 5.0325 5.0442 5.0748 5.7514 5.7690 5.7825 5.7834 7.3869 7.3912 7.6420 7.6441 7.9235 7.9269 8.1356 8.1367 8.1495 8.1536 10.9249 10.9259 11.2537 11.2601 k = 0.0667 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8609 -31.8609 -7.1989 -7.1987 -6.7337 -6.7337 -6.3303 -6.3300 -6.3245 -6.3244 0.7227 0.7252 1.0478 1.0487 1.3411 1.3431 1.6716 1.6738 2.0606 2.0644 2.0766 2.0844 2.0995 2.0995 2.2940 2.2964 2.4730 2.4737 2.5005 2.5032 3.1765 3.1770 3.1825 3.1859 3.5157 3.5171 3.7462 3.7568 3.8578 3.8763 3.8967 3.9923 4.0412 4.0455 4.0548 4.1073 4.1555 4.2103 4.2341 4.2570 4.5125 4.5680 4.5882 4.6002 4.9630 4.9867 5.0183 5.0288 5.0438 5.0879 5.7436 5.7667 5.7781 5.7792 7.3930 7.3987 7.6424 7.6451 7.9286 7.9332 8.1300 8.1315 8.1539 8.1595 10.9355 10.9368 11.2729 11.2813 k = 0.0833 0.5000-0.0000 ( 5940 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8609 -31.8609 -7.1943 -7.1940 -6.7317 -6.7317 -6.3353 -6.3350 -6.3263 -6.3262 0.7274 0.7304 1.0479 1.0491 1.3392 1.3417 1.6737 1.6766 2.0585 2.0623 2.0743 2.0831 2.0973 2.0973 2.2979 2.3010 2.4686 2.4703 2.4969 2.5010 3.1619 3.1624 3.1689 3.1736 3.5244 3.5260 3.7456 3.7574 3.8559 3.8717 3.8965 4.0064 4.0388 4.0422 4.0496 4.1223 4.1594 4.2108 4.2491 4.2676 4.4895 4.5584 4.5887 4.5961 4.9753 4.9991 5.0148 5.0238 5.0492 5.1061 5.7343 5.7621 5.7733 5.7752 7.4009 7.4079 7.6431 7.6464 7.9349 7.9405 8.1233 8.1252 8.1598 8.1667 10.9491 10.9506 11.2976 11.3080 k = 0.1000 0.5000-0.0000 ( 5948 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8609 -31.8609 -7.1886 -7.1884 -6.7293 -6.7293 -6.3414 -6.3410 -6.3285 -6.3285 0.7331 0.7366 1.0482 1.0495 1.3369 1.3399 1.6765 1.6799 2.0559 2.0592 2.0722 2.0815 2.0949 2.0950 2.3025 2.3063 2.4631 2.4662 2.4927 2.4986 3.1449 3.1457 3.1532 3.1592 3.5340 3.5357 3.7454 3.7579 3.8547 3.8665 3.8980 4.0175 4.0385 4.0398 4.0451 4.1381 4.1642 4.2084 4.2677 4.2805 4.4659 4.5444 4.5898 4.5938 4.9778 5.0062 5.0118 5.0183 5.0662 5.1297 5.7237 5.7548 5.7685 5.7721 7.4102 7.4187 7.6444 7.6482 7.9419 7.9485 8.1160 8.1182 8.1669 8.1750 10.9655 10.9673 11.3278 11.3402 k = 0.1167 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8609 -31.8609 -7.1820 -7.1818 -6.7265 -6.7264 -6.3486 -6.3481 -6.3311 -6.3310 0.7398 0.7438 1.0485 1.0500 1.3341 1.3376 1.6801 1.6840 2.0526 2.0551 2.0699 2.0799 2.0925 2.0929 2.3079 2.3124 2.4565 2.4611 2.4880 2.4960 3.1257 3.1272 3.1360 3.1431 3.5441 3.5459 3.7458 3.7583 3.8542 3.8619 3.9003 4.0213 4.0383 4.0414 4.0444 4.1543 4.1699 4.2055 4.2877 4.2956 4.4423 4.5275 4.5914 4.5928 4.9724 5.0050 5.0070 5.0158 5.0939 5.1575 5.7118 5.7452 5.7644 5.7703 7.4210 7.4308 7.6464 7.6506 7.9490 7.9565 8.1087 8.1114 8.1751 8.1843 10.9845 10.9866 11.3634 11.3776 k = 0.1333 0.5000-0.0000 ( 5944 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8609 -31.8609 -7.1745 -7.1742 -6.7233 -6.7232 -6.3567 -6.3562 -6.3341 -6.3340 0.7474 0.7520 1.0488 1.0505 1.3307 1.3347 1.6844 1.6888 2.0485 2.0503 2.0673 2.0782 2.0900 2.0912 2.3140 2.3192 2.4487 2.4551 2.4831 2.4932 3.1048 3.1074 3.1175 3.1254 3.5542 3.5560 3.7467 3.7588 3.8544 3.8583 3.9028 4.0192 4.0377 4.0393 4.0537 4.1690 4.1767 4.2038 4.3082 4.3126 4.4191 4.5090 4.5924 4.5936 4.9634 4.9970 5.0003 5.0154 5.1270 5.1878 5.6986 5.7336 5.7616 5.7697 7.4330 7.4440 7.6493 7.6538 7.9553 7.9635 8.1025 8.1055 8.1842 8.1943 11.0061 11.0084 11.4042 11.4200 k = 0.1500 0.5000-0.0000 ( 5950 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8609 -31.8609 -7.1660 -7.1656 -6.7197 -6.7196 -6.3658 -6.3652 -6.3374 -6.3373 0.7560 0.7611 1.0491 1.0510 1.3268 1.3312 1.6896 1.6945 2.0436 2.0448 2.0642 2.0767 2.0877 2.0900 2.3206 2.3265 2.4398 2.4480 2.4780 2.4904 3.0826 3.0864 3.0980 3.1066 3.5640 3.5659 3.7481 3.7596 3.8553 3.8556 3.9055 4.0157 4.0376 4.0380 4.0631 4.1780 4.1850 4.2077 4.3285 4.3312 4.3969 4.4896 4.5924 4.5962 4.9526 4.9869 4.9920 5.0132 5.1624 5.2191 5.6843 5.7205 5.7609 5.7707 7.4458 7.4581 7.6532 7.6580 7.9597 7.9683 8.0988 8.1017 8.1939 8.2048 11.0300 11.0324 11.4499 11.4672 k = 0.1667 0.5000-0.0000 ( 5958 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8609 -31.8609 -7.1566 -7.1562 -6.7157 -6.7157 -6.3759 -6.3753 -6.3411 -6.3410 0.7655 0.7710 1.0495 1.0516 1.3222 1.3270 1.6957 1.7011 2.0380 2.0389 2.0608 2.0753 2.0856 2.0893 2.3277 2.3343 2.4299 2.4397 2.4731 2.4874 3.0594 3.0645 3.0775 3.0867 3.5733 3.5753 3.7500 3.7610 3.8539 3.8569 3.9085 4.0122 4.0360 4.0389 4.0714 4.1781 4.1950 4.2203 4.3462 4.3508 4.3780 4.4699 4.5925 4.5995 4.9405 4.9753 4.9823 5.0090 5.1983 5.2499 5.6689 5.7061 5.7631 5.7738 7.4593 7.4727 7.6584 7.6634 7.9610 7.9693 8.0988 8.1013 8.2041 8.2157 11.0559 11.0585 11.5002 11.5188 k = 0.1833 0.5000-0.0000 ( 5940 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8610 -31.8610 -7.1464 -7.1459 -6.7114 -6.7114 -6.3869 -6.3862 -6.3450 -6.3449 0.7759 0.7817 1.0499 1.0521 1.3169 1.3220 1.7029 1.7087 2.0317 2.0325 2.0574 2.0741 2.0839 2.0890 2.3352 2.3425 2.4192 2.4303 2.4683 2.4844 3.0355 3.0422 3.0563 3.0660 3.5819 3.5842 3.7523 3.7630 3.8530 3.8591 3.9119 4.0090 4.0344 4.0406 4.0783 4.1736 4.2067 4.2370 4.3455 4.3713 4.3783 4.4504 4.5928 4.6033 4.9276 4.9628 4.9714 5.0027 5.2334 5.2792 5.6527 5.6907 5.7689 5.7796 7.4730 7.4874 7.6651 7.6703 7.9584 7.9660 8.1035 8.1051 8.2146 8.2268 11.0837 11.0863 11.5547 11.5744 k = 0.2000 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8610 -31.8610 -7.1353 -7.1348 -6.7068 -6.7068 -6.3987 -6.3980 -6.3493 -6.3492 0.7870 0.7932 1.0504 1.0527 1.3109 1.3163 1.7111 1.7174 2.0250 2.0258 2.0540 2.0729 2.0825 2.0890 2.3430 2.3508 2.4079 2.4198 2.4637 2.4813 3.0114 3.0196 3.0344 3.0446 3.5896 3.5923 3.7550 3.7658 3.8525 3.8616 3.9157 4.0061 4.0328 4.0428 4.0841 4.1675 4.2199 4.2548 4.3283 4.3918 4.3957 4.4315 4.5932 4.6077 4.9141 4.9492 4.9593 4.9945 5.2666 5.3060 5.6358 5.6744 5.7790 5.7887 7.4867 7.5018 7.6734 7.6789 7.9520 7.9586 8.1125 8.1130 8.2252 8.2379 11.1130 11.1157 11.6128 11.6332 k = 0.2167 0.5000-0.0000 ( 5938 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8610 -31.8610 -7.1235 -7.1230 -6.7019 -6.7019 -6.4113 -6.4106 -6.3538 -6.3537 0.7988 0.8053 1.0508 1.0532 1.3041 1.3097 1.7205 1.7272 2.0179 2.0187 2.0510 2.0719 2.0816 2.0892 2.3509 2.3585 2.3964 2.4085 2.4593 2.4782 2.9871 2.9968 3.0120 3.0227 3.5964 3.5997 3.7580 3.7694 3.8525 3.8644 3.9200 4.0034 4.0316 4.0455 4.0892 4.1606 4.2343 4.2730 4.3099 4.4056 4.4146 4.4200 4.5936 4.6127 4.9000 4.9349 4.9459 4.9843 5.2970 5.3295 5.6184 5.6574 5.7936 5.8015 7.4999 7.5155 7.6834 7.6893 7.9425 7.9479 8.1244 8.1250 8.2359 8.2489 11.1435 11.1462 11.6738 11.6941 k = 0.2333 0.5000-0.0000 ( 5944 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8615 -31.8615 -31.8610 -31.8610 -7.1109 -7.1104 -6.6968 -6.6967 -6.4247 -6.4239 -6.3586 -6.3585 0.8114 0.8181 1.0513 1.0537 1.2964 1.3022 1.7311 1.7381 2.0105 2.0115 2.0484 2.0710 2.0811 2.0894 2.3581 2.3631 2.3875 2.3972 2.4552 2.4751 2.9629 2.9741 2.9892 3.0003 3.6024 3.6064 3.7613 3.7736 3.8527 3.8673 3.9248 4.0004 4.0311 4.0484 4.0938 4.1531 4.2494 4.2912 4.2924 4.3915 4.4332 4.4371 4.5941 4.6182 4.8855 4.9198 4.9315 4.9722 5.3240 5.3495 5.6008 5.6399 5.8129 5.8184 7.5124 7.5283 7.6954 7.7018 7.9309 7.9352 8.1384 8.1398 8.2463 8.2596 11.1749 11.1775 11.7360 11.7551 k = 0.2500 0.5000-0.0000 ( 5916 PWs) bands (ev): -58.2520 -58.2520 -32.6857 -32.6857 -31.8615 -31.8615 -31.8610 -31.8610 -7.0977 -7.0971 -6.6914 -6.6914 -6.4387 -6.4379 -6.3635 -6.3634 0.8245 0.8314 1.0518 1.0542 1.2880 1.2938 1.7430 1.7503 2.0030 2.0040 2.0465 2.0704 2.0810 2.0899 2.3580 2.3619 2.3877 2.3886 2.4513 2.4722 2.9391 2.9517 2.9663 2.9776 3.6075 3.6124 3.7650 3.7786 3.8531 3.8700 3.9303 3.9969 4.0320 4.0516 4.0984 4.1453 4.2650 4.2763 4.3093 4.3744 4.4510 4.4579 4.5948 4.6244 4.8708 4.9041 4.9162 4.9586 5.3472 5.3659 5.5833 5.6221 5.8365 5.8392 7.5240 7.5398 7.7092 7.7163 7.9180 7.9212 8.1541 8.1562 8.2565 8.2699 11.2069 11.2092 11.7962 11.8115 k = 0.2667 0.5000-0.0000 ( 5948 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8610 -31.8610 -7.0839 -7.0833 -6.6859 -6.6859 -6.4534 -6.4525 -6.3687 -6.3686 0.8383 0.8453 1.0522 1.0547 1.2786 1.2844 1.7561 1.7637 1.9954 1.9965 2.0452 2.0701 2.0811 2.0903 2.3453 2.3563 2.3885 2.3946 2.4477 2.4694 2.9156 2.9297 2.9432 2.9547 3.6119 3.6177 3.7688 3.7839 3.8535 3.8723 3.9361 3.9926 4.0340 4.0546 4.1027 4.1371 4.2617 4.2802 4.3271 4.3583 4.4676 4.4785 4.5954 4.6309 4.8557 4.8878 4.9000 4.9432 5.3666 5.3789 5.5659 5.6042 5.8638 5.8638 7.5345 7.5499 7.7247 7.7325 7.9044 7.9068 8.1708 8.1734 8.2662 8.2796 11.2389 11.2410 11.8456 11.8523 k = 0.2833 0.5000-0.0000 ( 5948 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8610 -31.8610 -7.0696 -7.0690 -6.6803 -6.6803 -6.4685 -6.4676 -6.3740 -6.3738 0.8526 0.8596 1.0526 1.0551 1.2683 1.2740 1.7705 1.7783 1.9880 1.9891 2.0446 2.0700 2.0816 2.0907 2.3300 2.3433 2.3952 2.4031 2.4444 2.4669 2.8927 2.9081 2.9202 2.9318 3.6158 3.6224 3.7730 3.7896 3.8538 3.8742 3.9425 3.9878 4.0372 4.0573 4.1073 4.1290 4.2488 4.2934 4.3448 4.3453 4.4832 4.4987 4.5963 4.6377 4.8406 4.8712 4.8831 4.9266 5.3824 5.3891 5.5489 5.5863 5.8914 5.8939 7.5440 7.5588 7.7417 7.7503 7.8909 7.8923 8.1881 8.1910 8.2754 8.2887 11.2706 11.2725 11.8614 11.8653 k = 0.3000 0.5000-0.0000 ( 5958 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8611 -31.8610 -7.0548 -7.0542 -6.6746 -6.6745 -6.4840 -6.4831 -6.3793 -6.3792 0.8674 0.8744 1.0530 1.0554 1.2572 1.2627 1.7862 1.7941 1.9807 1.9818 2.0447 2.0703 2.0823 2.0912 2.3135 2.3276 2.4038 2.4118 2.4415 2.4651 2.8705 2.8871 2.8976 2.9091 3.6192 3.6266 3.7773 3.7955 3.8542 3.8755 3.9491 3.9828 4.0412 4.0592 4.1121 4.1216 4.2377 4.2991 4.3408 4.3623 4.4977 4.5182 4.5974 4.6445 4.8252 4.8543 4.8657 4.9087 5.3949 5.3970 5.5326 5.5688 5.9212 5.9257 7.5524 7.5664 7.7596 7.7692 7.8778 7.8782 8.2055 8.2085 8.2840 8.2971 11.3017 11.3033 11.8403 11.8480 k = 0.3167 0.5000-0.0000 ( 5954 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8611 -31.8611 -7.0398 -7.0391 -6.6689 -6.6688 -6.4998 -6.4989 -6.3847 -6.3846 0.8827 0.8895 1.0534 1.0557 1.2453 1.2505 1.8032 1.8112 1.9736 1.9747 2.0455 2.0709 2.0832 2.0917 2.2960 2.3103 2.4129 2.4198 2.4392 2.4642 2.8490 2.8669 2.8755 2.8868 3.6223 3.6303 3.7819 3.8013 3.8544 3.8763 3.9560 3.9777 4.0455 4.0596 4.1156 4.1173 4.2284 4.2927 4.3494 4.3797 4.5111 4.5367 4.5987 4.6510 4.8098 4.8373 4.8483 4.8900 5.4030 5.4048 5.5172 5.5517 5.9524 5.9583 7.5598 7.5730 7.7779 7.7887 7.8649 7.8657 8.2227 8.2257 8.2919 8.3046 11.3317 11.3329 11.8048 11.8122 k = 0.3333 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8611 -31.8611 -7.0245 -7.0238 -6.6632 -6.6631 -6.5158 -6.5149 -6.3901 -6.3900 0.8983 0.9050 1.0537 1.0560 1.2325 1.2374 1.8214 1.8294 1.9669 1.9679 2.0469 2.0717 2.0844 2.0922 2.2776 2.2921 2.4214 2.4264 2.4381 2.4648 2.8284 2.8473 2.8542 2.8650 3.6252 3.6336 3.7868 3.8070 3.8545 3.8764 3.9629 3.9728 4.0496 4.0576 4.1119 4.1230 4.2208 4.2808 4.3646 4.3969 4.5237 4.5540 4.6003 4.6569 4.7942 4.8203 4.8309 4.8708 5.4076 5.4124 5.5029 5.5352 5.9840 5.9908 7.5664 7.5785 7.7954 7.8078 7.8530 7.8555 8.2393 8.2423 8.2991 8.3113 11.3603 11.3610 11.7642 11.7704 k = 0.3500 0.5000-0.0000 ( 5972 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8616 -31.8616 -31.8611 -31.8611 -7.0092 -7.0085 -6.6576 -6.6576 -6.5318 -6.5308 -6.3953 -6.3952 0.9144 0.9208 1.0540 1.0562 1.2191 1.2234 1.8408 1.8487 1.9606 1.9615 2.0489 2.0726 2.0858 2.0926 2.2585 2.2729 2.4269 2.4308 2.4404 2.4676 2.8087 2.8287 2.8340 2.8439 3.6278 3.6365 3.7917 3.8125 3.8544 3.8758 3.9684 3.9697 4.0528 4.0530 4.1111 4.1291 4.2147 4.2677 4.3820 4.4139 4.5355 4.5697 4.6024 4.6617 4.7785 4.8034 4.8139 4.8512 5.4111 5.4182 5.4898 5.5194 6.0151 6.0223 7.5722 7.5833 7.8096 7.8237 7.8451 7.8496 8.2551 8.2579 8.3055 8.3170 11.3870 11.3874 11.7228 11.7277 k = 0.3667 0.5000-0.0000 ( 5966 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8616 -31.8616 -31.8611 -31.8611 -6.9941 -6.9934 -6.6523 -6.6522 -6.5475 -6.5466 -6.4004 -6.4003 0.9308 0.9369 1.0543 1.0564 1.2049 1.2088 1.8612 1.8690 1.9548 1.9556 2.0513 2.0735 2.0875 2.0931 2.2387 2.2530 2.4280 2.4329 2.4476 2.4727 2.7903 2.8111 2.8151 2.8238 3.6303 3.6390 3.7969 3.8178 3.8541 3.8747 3.9647 3.9764 4.0458 4.0555 4.1131 4.1357 4.2100 4.2546 4.4006 4.4309 4.5466 4.5832 4.6057 4.6648 4.7627 4.7871 4.7978 4.8318 5.4138 5.4227 5.4781 5.5047 6.0450 6.0522 7.5773 7.5873 7.8147 7.8243 7.8530 7.8533 8.2699 8.2724 8.3112 8.3219 11.4117 11.4117 11.6826 11.6864 k = 0.3833 0.5000-0.0000 ( 5960 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8616 -31.8616 -31.8611 -31.8611 -6.9793 -6.9786 -6.6472 -6.6472 -6.5628 -6.5619 -6.4052 -6.4051 0.9474 0.9531 1.0546 1.0565 1.1902 1.1935 1.8825 1.8901 1.9496 1.9502 2.0540 2.0743 2.0894 2.0934 2.2183 2.2324 2.4273 2.4333 2.4565 2.4792 2.7733 2.7947 2.7977 2.8049 3.6328 3.6411 3.8022 3.8226 3.8537 3.8732 3.9618 3.9827 4.0378 4.0568 4.1170 4.1426 4.2063 4.2420 4.4199 4.4478 4.5573 4.5925 4.6114 4.6655 4.7472 4.7720 4.7829 4.8128 5.4158 5.4260 5.4681 5.4910 6.0729 6.0798 7.5818 7.5906 7.8114 7.8167 7.8658 7.8692 8.2835 8.2856 8.3161 8.3258 11.4336 11.4339 11.6449 11.6478 k = 0.4000 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9651 -6.9645 -6.6425 -6.6425 -6.5774 -6.5765 -6.4097 -6.4096 0.9643 0.9695 1.0549 1.0566 1.1750 1.1776 1.9045 1.9117 1.9452 1.9455 2.0570 2.0750 2.0914 2.0937 2.1972 2.2113 2.4265 2.4327 2.4658 2.4861 2.7581 2.7796 2.7819 2.7874 3.6351 3.6428 3.8075 3.8271 3.8532 3.8712 3.9598 3.9882 4.0297 4.0569 4.1222 4.1496 4.2034 4.2300 4.4396 4.4646 4.5673 4.5969 4.6201 4.6631 4.7321 4.7585 4.7695 4.7947 5.4172 5.4284 5.4599 5.4786 6.0983 6.1046 7.5857 7.5933 7.8057 7.8091 7.8806 7.8852 8.2957 8.2972 8.3205 8.3289 11.4530 11.4535 11.6107 11.6129 k = 0.4167 0.5000-0.0000 ( 5960 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9519 -6.9513 -6.6384 -6.6383 -6.5909 -6.5901 -6.4137 -6.4136 0.9814 0.9861 1.0552 1.0567 1.1594 1.1613 1.9267 1.9321 1.9419 1.9431 2.0599 2.0755 2.0934 2.0938 2.1756 2.1898 2.4257 2.4316 2.4748 2.4928 2.7449 2.7661 2.7681 2.7715 3.6372 3.6441 3.8128 3.8310 3.8524 3.8688 3.9589 3.9920 4.0231 4.0558 4.1282 4.1564 4.2009 4.2187 4.4597 4.4813 4.5767 4.5977 4.6294 4.6569 4.7181 4.7474 4.7578 4.7778 5.4180 5.4299 5.4534 5.4676 6.1207 6.1262 7.5891 7.5954 7.8000 7.8023 7.8949 7.8996 8.3062 8.3071 8.3243 8.3312 11.4696 11.4703 11.5807 11.5822 k = 0.4333 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9401 -6.9396 -6.6349 -6.6348 -6.6029 -6.6022 -6.4172 -6.4171 0.9985 1.0026 1.0554 1.0567 1.1435 1.1448 1.9361 1.9366 1.9516 1.9583 2.0626 2.0759 2.0937 2.0953 2.1536 2.1683 2.4253 2.4303 2.4833 2.4986 2.7342 2.7542 2.7563 2.7576 3.6392 3.6450 3.8179 3.8343 3.8517 3.8662 3.9591 3.9923 4.0201 4.0535 4.1349 4.1627 4.1988 4.2083 4.4802 4.4979 4.5850 4.5960 4.6375 4.6475 4.7062 4.7384 4.7484 4.7627 5.4187 5.4306 5.4487 5.4583 6.1397 6.1443 7.5919 7.5970 7.7952 7.7968 7.9076 7.9118 8.3150 8.3151 8.3277 8.3328 11.4834 11.4842 11.5553 11.5564 k = 0.4500 0.5000-0.0000 ( 5956 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9301 -6.9297 -6.6322 -6.6321 -6.6129 -6.6122 -6.4200 -6.4200 1.0156 1.0189 1.0556 1.0568 1.1275 1.1281 1.9340 1.9344 1.9741 1.9801 2.0651 2.0760 2.0930 2.0970 2.1317 2.1472 2.4250 2.4290 2.4909 2.5031 2.7263 2.7435 2.7468 2.7468 3.6410 3.6455 3.8228 3.8367 3.8512 3.8634 3.9604 3.9885 4.0217 4.0502 4.1420 4.1679 4.1967 4.1991 4.5007 4.5143 4.5906 4.5914 4.6370 4.6430 4.6977 4.7303 4.7413 4.7503 5.4192 5.4303 5.4455 5.4511 6.1549 6.1584 7.5943 7.5981 7.7914 7.7925 7.9181 7.9216 8.3209 8.3217 8.3309 8.3339 11.4942 11.4950 11.5353 11.5359 k = 0.4667 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9224 -6.9221 -6.6307 -6.6305 -6.6200 -6.6194 -6.4221 -6.4221 1.0321 1.0345 1.0560 1.0571 1.1117 1.1119 1.9322 1.9325 1.9962 2.0011 2.0671 2.0761 2.0912 2.0979 2.1111 2.1279 2.4250 2.4278 2.4973 2.5059 2.7216 2.7339 2.7395 2.7398 3.6426 3.6457 3.8273 3.8376 3.8515 3.8605 3.9629 3.9827 4.0258 4.0461 4.1493 4.1709 4.1920 4.1946 4.5211 4.5302 4.5839 4.5894 4.6305 4.6445 4.6944 4.7216 4.7368 4.7419 5.4201 5.4289 5.4436 5.4462 6.1661 6.1685 7.5961 7.5987 7.7887 7.7894 7.9261 7.9286 8.3249 8.3262 8.3336 8.3349 11.5020 11.5026 11.5208 11.5211 k = 0.4833 0.5000-0.0000 ( 5932 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9176 -6.9174 -6.6307 -6.6305 -6.6234 -6.6231 -6.4234 -6.4234 1.0463 1.0473 1.0571 1.0584 1.0970 1.0976 1.9312 1.9313 2.0156 2.0186 2.0688 2.0759 2.0871 2.0892 2.1030 2.1133 2.4254 2.4268 2.5023 2.5068 2.7200 2.7264 2.7353 2.7355 3.6439 3.6454 3.8313 3.8368 3.8529 3.8578 3.9665 3.9767 4.0310 4.0415 4.1568 4.1696 4.1890 4.1922 4.5410 4.5452 4.5738 4.5788 4.6317 4.6419 4.6967 4.7121 4.7349 4.7372 5.4216 5.4265 5.4427 5.4436 6.1732 6.1744 7.5975 7.5988 7.7871 7.7875 7.9313 7.9326 8.3273 8.3283 8.3355 8.3357 11.5063 11.5068 11.5124 11.5124 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9158 -6.9158 -6.6310 -6.6310 -6.6240 -6.6240 -6.4238 -6.4238 1.0518 1.0518 1.0603 1.0603 1.0898 1.0898 1.9309 1.9309 2.0256 2.0256 2.0723 2.0723 2.0827 2.0827 2.1058 2.1058 2.4260 2.4260 2.5055 2.5055 2.7218 2.7218 2.7340 2.7340 3.6448 3.6448 3.8346 3.8346 3.8552 3.8552 3.9712 3.9712 4.0364 4.0364 4.1640 4.1640 4.1900 4.1900 4.5557 4.5557 4.5657 4.5657 4.6368 4.6368 4.7033 4.7033 4.7350 4.7350 5.4238 5.4238 5.4427 5.4427 6.1760 6.1760 7.5984 7.5984 7.7867 7.7867 7.9335 7.9335 8.3285 8.3285 8.3362 8.3362 11.5069 11.5069 11.5106 11.5106 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9158 -6.9158 -6.6310 -6.6310 -6.6240 -6.6240 -6.4238 -6.4238 1.0518 1.0518 1.0603 1.0603 1.0898 1.0898 1.9309 1.9309 2.0256 2.0256 2.0723 2.0723 2.0827 2.0827 2.1058 2.1058 2.4260 2.4260 2.5055 2.5055 2.7218 2.7218 2.7340 2.7340 3.6448 3.6448 3.8346 3.8346 3.8552 3.8552 3.9712 3.9712 4.0364 4.0364 4.1640 4.1640 4.1900 4.1900 4.5557 4.5557 4.5657 4.5657 4.6368 4.6368 4.7033 4.7033 4.7350 4.7350 5.4238 5.4238 5.4427 5.4427 6.1760 6.1760 7.5984 7.5984 7.7867 7.7867 7.9335 7.9335 8.3285 8.3285 8.3362 8.3362 11.5069 11.5069 11.5106 11.5106 k = 0.4881 0.4881-0.0000 ( 5940 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9176 -6.9175 -6.6305 -6.6304 -6.6236 -6.6232 -6.4234 -6.4233 1.0469 1.0474 1.0565 1.0579 1.0973 1.0979 1.9312 1.9313 2.0156 2.0183 2.0669 2.0795 2.0868 2.0876 2.1046 2.1123 2.4254 2.4268 2.5023 2.5067 2.7200 2.7262 2.7353 2.7358 3.6438 3.6454 3.8312 3.8369 3.8528 3.8578 3.9664 3.9767 4.0310 4.0415 4.1567 4.1698 4.1883 4.1928 4.5420 4.5436 4.5749 4.5782 4.6316 4.6420 4.6967 4.7122 4.7349 4.7372 5.4216 5.4266 5.4428 5.4435 6.1731 6.1744 7.5975 7.5988 7.7871 7.7875 7.9313 7.9326 8.3270 8.3285 8.3355 8.3358 11.5040 11.5044 11.5147 11.5150 k = 0.4762 0.4762-0.0000 ( 5960 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9226 -6.9223 -6.6287 -6.6285 -6.6218 -6.6211 -6.4221 -6.4220 1.0340 1.0358 1.0531 1.0540 1.1131 1.1134 1.9323 1.9324 1.9959 2.0002 2.0611 2.0844 2.0905 2.0997 2.1147 2.1220 2.4250 2.4279 2.4977 2.5059 2.7212 2.7311 2.7398 2.7427 3.6425 3.6457 3.8269 3.8383 3.8509 3.8606 3.9627 3.9828 4.0260 4.0460 4.1487 4.1728 4.1869 4.1983 4.5224 4.5274 4.5868 4.5882 4.6298 4.6445 4.6946 4.7223 4.7371 4.7412 5.4199 5.4296 5.4441 5.4453 6.1659 6.1684 7.5961 7.5987 7.7887 7.7894 7.9260 7.9285 8.3229 8.3265 8.3343 8.3357 11.4914 11.4922 11.5313 11.5320 k = 0.4643 0.4643-0.0000 ( 5952 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9307 -6.9303 -6.6261 -6.6259 -6.6186 -6.6176 -6.4199 -6.4199 1.0192 1.0218 1.0489 1.0496 1.1314 1.1316 1.9334 1.9343 1.9726 1.9789 2.0554 2.0814 2.0991 2.1112 2.1306 2.1350 2.4249 2.4293 2.4925 2.5037 2.7242 2.7352 2.7482 2.7552 3.6410 3.6456 3.8220 3.8392 3.8495 3.8634 3.9599 3.9886 4.0226 4.0496 4.1405 4.1726 4.1853 4.2070 4.5020 4.5104 4.5894 4.5964 4.6348 4.6427 4.6989 4.7321 4.7431 4.7472 5.4190 5.4329 5.4467 5.4478 6.1546 6.1582 7.5942 7.5982 7.7914 7.7925 7.9179 7.9215 8.3155 8.3211 8.3342 8.3365 11.4709 11.4720 11.5592 11.5600 k = 0.4524 0.4524-0.0000 ( 5960 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9416 -6.9411 -6.6229 -6.6225 -6.6140 -6.6127 -6.4170 -6.4169 1.0041 1.0074 1.0432 1.0438 1.1509 1.1518 1.9316 1.9362 1.9488 1.9595 2.0501 2.0771 2.1086 2.1208 2.1470 2.1498 2.4249 2.4310 2.4879 2.5008 2.7281 2.7396 2.7607 2.7713 3.6392 3.6451 3.8166 3.8396 3.8481 3.8658 3.9579 3.9923 4.0223 4.0522 4.1320 4.1701 4.1837 4.2182 4.4813 4.4931 4.5839 4.6026 4.6377 4.6439 4.7091 4.7395 4.7546 4.7548 5.4186 5.4362 5.4504 5.4511 6.1394 6.1440 7.5919 7.5971 7.7952 7.7968 7.9073 7.9117 8.3052 8.3124 8.3350 8.3379 11.4433 11.4446 11.5973 11.5982 k = 0.4405 0.4405-0.0000 ( 5960 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9548 -6.9543 -6.6191 -6.6186 -6.6080 -6.6066 -6.4134 -6.4133 0.9889 0.9928 1.0360 1.0365 1.1717 1.1732 1.9174 1.9198 1.9431 1.9522 2.0455 2.0729 2.1186 2.1295 2.1624 2.1644 2.4253 2.4332 2.4847 2.4983 2.7325 2.7446 2.7766 2.7898 3.6372 3.6442 3.8111 3.8397 3.8468 3.8678 3.9567 3.9926 4.0262 4.0535 4.1233 4.1660 4.1823 4.2312 4.4606 4.4756 4.5755 4.6037 4.6331 4.6530 4.7232 4.7465 4.7637 4.7699 5.4189 5.4398 5.4549 5.4551 6.1206 6.1262 7.5892 7.5956 7.7999 7.8021 7.8947 7.8996 8.2923 8.3011 8.3363 8.3396 11.4094 11.4109 11.6449 11.6455 k = 0.4286 0.4286-0.0000 ( 5962 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9701 -6.9695 -6.6148 -6.6141 -6.6012 -6.5996 -6.4092 -6.4090 0.9737 0.9780 1.0272 1.0277 1.1937 1.1958 1.8934 1.8937 1.9480 1.9548 2.0413 2.0690 2.1292 2.1380 2.1759 2.1773 2.4260 2.4357 2.4838 2.4972 2.7376 2.7505 2.7951 2.8100 3.6352 3.6430 3.8054 3.8397 3.8455 3.8694 3.9561 3.9905 4.0328 4.0538 4.1145 4.1606 4.1815 4.2455 4.4403 4.4582 4.5659 4.5986 4.6315 4.6603 4.7398 4.7544 4.7737 4.7874 5.4195 5.4440 5.4596 5.4599 6.0987 6.1052 7.5861 7.5937 7.8051 7.8084 7.8807 7.8855 8.2773 8.2875 8.3378 8.3414 11.3699 11.3716 11.7006 11.7007 k = 0.4167 0.4167-0.0000 ( 5958 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8616 -31.8616 -31.8611 -31.8611 -6.9872 -6.9866 -6.6097 -6.6090 -6.5936 -6.5918 -6.4045 -6.4043 0.9583 0.9630 1.0168 1.0174 1.2169 1.2195 1.8661 1.8673 1.9543 1.9604 2.0376 2.0653 2.1404 2.1467 2.1872 2.1879 2.4271 2.4387 2.4860 2.4983 2.7434 2.7572 2.8156 2.8314 3.6332 3.6416 3.7997 3.8395 3.8441 3.8705 3.9560 3.9875 4.0396 4.0530 4.1057 4.1541 4.1819 4.2608 4.4205 4.4409 4.5557 4.5890 4.6320 4.6654 4.7582 4.7636 4.7845 4.8065 5.4204 5.4487 5.4647 5.4649 6.0744 6.0816 7.5826 7.5915 7.8103 7.8155 7.8662 7.8700 8.2605 8.2721 8.3393 8.3431 11.3257 11.3274 11.7619 11.7629 k = 0.4048 0.4048-0.0000 ( 5962 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8616 -31.8616 -31.8611 -31.8611 -7.0057 -7.0051 -6.6041 -6.6032 -6.5854 -6.5836 -6.3995 -6.3992 0.9426 0.9476 1.0050 1.0057 1.2411 1.2442 1.8383 1.8400 1.9619 1.9676 2.0344 2.0619 2.1522 2.1556 2.1961 2.1961 2.4285 2.4421 2.4915 2.5022 2.7500 2.7646 2.8374 2.8537 3.6312 3.6398 3.7939 3.8393 3.8425 3.8712 3.9563 3.9844 4.0451 4.0515 4.0968 4.1464 4.1842 4.2765 4.4018 4.4238 4.5452 4.5771 4.6330 4.6682 4.7738 4.7777 4.7961 4.8268 5.4213 5.4543 5.4694 5.4701 6.0482 6.0560 7.5789 7.5889 7.8135 7.8227 7.8537 7.8542 8.2423 8.2552 8.3406 8.3446 11.2772 11.2789 11.8273 11.8297 k = 0.3929 0.3929-0.0000 ( 5970 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8616 -31.8616 -31.8611 -31.8611 -7.0254 -7.0248 -6.5978 -6.5968 -6.5768 -6.5750 -6.3941 -6.3939 0.9266 0.9319 0.9917 0.9925 1.2663 1.2700 1.8103 1.8121 1.9706 1.9761 2.0315 2.0587 2.1645 2.1648 2.2018 2.2024 2.4304 2.4461 2.5007 2.5093 2.7572 2.7727 2.8601 2.8766 3.6293 3.6377 3.7882 3.8390 3.8408 3.8716 3.9569 3.9816 4.0480 4.0494 4.0882 4.1377 4.1892 4.2915 4.3851 4.4071 4.5345 4.5639 4.6338 4.6692 4.7850 4.7973 4.8090 4.8480 5.4218 5.4608 5.4730 5.4760 6.0209 6.0290 7.5750 7.5860 7.8095 7.8246 7.8434 7.8482 8.2231 8.2371 8.3416 8.3458 11.2250 11.2267 11.8943 11.8985 k = 0.3810 0.3810-0.0000 ( 5974 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8611 -31.8611 -7.0460 -7.0454 -6.5909 -6.5898 -6.5679 -6.5660 -6.3887 -6.3883 0.9100 0.9155 0.9771 0.9779 1.2925 1.2967 1.7820 1.7839 1.9806 1.9855 2.0291 2.0557 2.1743 2.1772 2.2055 2.2066 2.4328 2.4504 2.5134 2.5196 2.7652 2.7814 2.8835 2.8998 3.6276 3.6354 3.7823 3.8387 3.8390 3.8717 3.9577 3.9792 4.0469 4.0478 4.0797 4.1281 4.1970 4.3032 4.3728 4.3908 4.5237 4.5500 4.6344 4.6686 4.7966 4.8134 4.8262 4.8699 5.4213 5.4676 5.4755 5.4824 5.9933 6.0015 7.5709 7.5830 7.7969 7.8114 7.8478 7.8516 8.2033 8.2182 8.3422 8.3465 11.1694 11.1710 11.9594 11.9656 k = 0.3690 0.3690-0.0000 ( 5970 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8611 -31.8611 -7.0674 -7.0669 -6.5834 -6.5821 -6.5588 -6.5568 -6.3832 -6.3828 0.8930 0.8986 0.9611 0.9619 1.3196 1.3243 1.7538 1.7556 1.9915 1.9955 2.0272 2.0528 2.1839 2.1901 2.2081 2.2094 2.4357 2.4553 2.5293 2.5330 2.7738 2.7907 2.9073 2.9232 3.6261 3.6330 3.7764 3.8371 3.8384 3.8717 3.9587 3.9770 4.0443 4.0445 4.0714 4.1177 4.2075 4.3066 4.3700 4.3753 4.5129 4.5356 4.6348 4.6669 4.8086 4.8255 4.8481 4.8924 5.4192 5.4717 5.4798 5.4894 5.9662 5.9743 7.5668 7.5798 7.7803 7.7935 7.8573 7.8593 8.1832 8.1989 8.3423 8.3467 11.1109 11.1122 12.0182 12.0265 k = 0.3571 0.3571-0.0000 ( 5974 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8611 -31.8611 -7.0894 -7.0889 -6.5753 -6.5739 -6.5494 -6.5474 -6.3777 -6.3773 0.8753 0.8810 0.9438 0.9447 1.3474 1.3526 1.7255 1.7272 2.0032 2.0054 2.0262 2.0501 2.1925 2.2013 2.2112 2.2132 2.4390 2.4606 2.5479 2.5493 2.7830 2.8005 2.9312 2.9466 3.6247 3.6302 3.7704 3.8351 3.8381 3.8715 3.9595 3.9752 4.0384 4.0415 4.0635 4.1067 4.2197 4.2994 4.3607 4.3784 4.5020 4.5207 4.6352 4.6643 4.8205 4.8361 4.8719 4.9154 5.4147 5.4696 5.4886 5.4973 5.9404 5.9483 7.5627 7.5765 7.7624 7.7747 7.8680 7.8685 8.1633 8.1796 8.3417 8.3462 11.0495 11.0507 12.0083 12.0161 k = 0.3452 0.3452-0.0000 ( 5966 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8611 -31.8611 -7.1118 -7.1113 -6.5667 -6.5652 -6.5398 -6.5379 -6.3723 -6.3718 0.8569 0.8627 0.9253 0.9264 1.3760 1.3816 1.6974 1.6989 2.0126 2.0153 2.0283 2.0474 2.1984 2.2060 2.2176 2.2237 2.4429 2.4663 2.5682 2.5689 2.7928 2.8108 2.9551 2.9699 3.6236 3.6273 3.7644 3.8331 3.8376 3.8715 3.9602 3.9736 4.0298 4.0388 4.0564 4.0954 4.2324 4.2863 4.3479 4.3935 4.4908 4.5055 4.6356 4.6613 4.8322 4.8456 4.8971 4.9390 5.4072 5.4633 5.4993 5.5062 5.9167 5.9244 7.5587 7.5732 7.7442 7.7557 7.8784 7.8790 8.1442 8.1607 8.3405 8.3450 10.9857 10.9865 11.9618 11.9700 k = 0.3333 0.3333-0.0000 ( 5960 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8614 -31.8614 -31.8610 -31.8610 -7.1345 -7.1340 -6.5576 -6.5560 -6.5301 -6.5281 -6.3671 -6.3666 0.8380 0.8436 0.9057 0.9069 1.4051 1.4110 1.6694 1.6708 2.0146 2.0275 2.0355 2.0448 2.2017 2.2075 2.2277 2.2382 2.4471 2.4723 2.5892 2.5920 2.8031 2.8216 2.9789 2.9930 3.6225 3.6242 3.7585 3.8310 3.8370 3.8716 3.9603 3.9722 4.0190 4.0359 4.0505 4.0843 4.2436 4.2712 4.3383 4.4108 4.4793 4.4902 4.6362 4.6582 4.8434 4.8542 4.9233 4.9632 5.3961 5.4530 5.5111 5.5162 5.8958 5.9031 7.5549 7.5701 7.7261 7.7370 7.8882 7.8900 8.1261 8.1425 8.3385 8.3431 10.9194 10.9199 11.9157 11.9239 k = 0.3214 0.3214-0.0000 ( 5964 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8610 -31.8610 -7.1573 -7.1569 -6.5480 -6.5464 -6.5203 -6.5183 -6.3622 -6.3617 0.8184 0.8240 0.8851 0.8864 1.4347 1.4409 1.6417 1.6428 2.0137 2.0390 2.0421 2.0448 2.2049 2.2094 2.2402 2.2540 2.4519 2.4787 2.6121 2.6167 2.8139 2.8328 3.0023 3.0157 3.6208 3.6213 3.7528 3.8289 3.8362 3.8720 3.9594 3.9708 4.0061 4.0329 4.0460 4.0739 4.2503 4.2556 4.3341 4.4280 4.4675 4.4756 4.6372 4.6553 4.8538 4.8620 4.9506 4.9880 5.3811 5.4386 5.5240 5.5274 5.8780 5.8850 7.5514 7.5670 7.7083 7.7187 7.8973 7.9005 8.1098 8.1256 8.3357 8.3403 10.8511 10.8512 11.8703 11.8783 k = 0.3095 0.3095-0.0000 ( 5970 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8610 -31.8610 -7.1802 -7.1798 -6.5380 -6.5364 -6.5103 -6.5083 -6.3576 -6.3570 0.7982 0.8037 0.8636 0.8649 1.4645 1.4709 1.6143 1.6151 2.0120 2.0394 2.0492 2.0533 2.2097 2.2131 2.2540 2.2706 2.4570 2.4853 2.6366 2.6428 2.8253 2.8444 3.0253 3.0379 3.6172 3.6198 3.7477 3.8266 3.8352 3.8728 3.9571 3.9694 3.9915 4.0295 4.0430 4.0652 4.2400 4.2503 4.3375 4.4396 4.4553 4.4666 4.6387 4.6528 4.8635 4.8688 4.9788 5.0136 5.3624 5.4201 5.5377 5.5396 5.8634 5.8702 7.5483 7.5642 7.6909 7.7008 7.9052 7.9101 8.0959 8.1106 8.3321 8.3367 10.7804 10.7806 11.8261 11.8337 k = 0.2976 0.2976-0.0000 ( 5952 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8610 -31.8610 -7.2030 -7.2026 -6.5277 -6.5260 -6.5003 -6.4983 -6.3532 -6.3526 0.7776 0.7829 0.8413 0.8427 1.4945 1.5008 1.5876 1.5878 2.0099 2.0367 2.0573 2.0599 2.2173 2.2196 2.2688 2.2878 2.4626 2.4922 2.6626 2.6701 2.8372 2.8565 3.0477 3.0595 3.6133 3.6179 3.7434 3.8244 3.8340 3.8742 3.9527 3.9680 3.9757 4.0259 4.0414 4.0586 4.2249 4.2439 4.3477 4.4329 4.4427 4.4754 4.6407 4.6509 4.8723 4.8749 5.0081 5.0401 5.3402 5.3978 5.5522 5.5527 5.8520 5.8587 7.5456 7.5616 7.6743 7.6836 7.9112 7.9181 8.0851 8.0981 8.3277 8.3322 10.7078 10.7084 11.7833 11.7905 k = 0.2857 0.2857-0.0000 ( 5944 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8613 -31.8613 -31.8610 -31.8610 -7.2256 -7.2253 -6.5171 -6.5153 -6.4901 -6.4882 -6.3492 -6.3486 0.7565 0.7616 0.8183 0.8198 1.5241 1.5289 1.5614 1.5632 2.0077 2.0339 2.0627 2.0641 2.2280 2.2294 2.2845 2.3056 2.4686 2.4993 2.6897 2.6985 2.8495 2.8690 3.0695 3.0805 3.6090 3.6152 3.7404 3.8218 3.8324 3.8762 3.9455 3.9588 3.9668 4.0228 4.0411 4.0545 4.2104 4.2339 4.3613 4.4178 4.4302 4.4921 4.6435 4.6500 4.8802 4.8802 5.0383 5.0675 5.3151 5.3723 5.5664 5.5672 5.8432 5.8499 7.5433 7.5594 7.6582 7.6671 7.9147 7.9239 8.0779 8.0887 8.3224 8.3269 10.6334 10.6344 11.7423 11.7490 k = 0.2738 0.2738-0.0000 ( 5942 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8613 -31.8613 -31.8610 -31.8610 -7.2480 -7.2477 -6.5062 -6.5044 -6.4800 -6.4780 -6.3456 -6.3450 0.7351 0.7400 0.7948 0.7964 1.5295 1.5323 1.5567 1.5664 2.0053 2.0310 2.0653 2.0659 2.2418 2.2426 2.3008 2.3238 2.4748 2.5064 2.7179 2.7277 2.8624 2.8819 3.0904 3.1007 3.6042 3.6114 3.7389 3.8187 3.8306 3.8789 3.9356 3.9413 3.9655 4.0206 4.0419 4.0521 4.1966 4.2219 4.3747 4.4009 4.4194 4.5097 4.6471 4.6500 4.8849 4.8872 5.0694 5.0957 5.2877 5.3443 5.5807 5.5824 5.8367 5.8434 7.5416 7.5574 7.6429 7.6513 7.9154 7.9269 8.0748 8.0830 8.3164 8.3208 10.5575 10.5588 11.7033 11.7092 k = 0.2619 0.2619-0.0000 ( 5942 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8613 -31.8613 -31.8610 -31.8610 -7.2700 -7.2697 -6.4952 -6.4933 -6.4698 -6.4679 -6.3423 -6.3417 0.7135 0.7182 0.7709 0.7725 1.5056 1.5073 1.5855 1.5944 2.0027 2.0280 2.0654 2.0655 2.2584 2.2589 2.3178 2.3423 2.4814 2.5136 2.7470 2.7576 2.8758 2.8952 3.1105 3.1200 3.5990 3.6063 3.7392 3.8149 3.8282 3.8822 3.9236 3.9236 3.9644 4.0197 4.0437 4.0509 4.1837 4.2092 4.3800 4.3836 4.4172 4.5271 4.6510 4.6515 4.8890 4.8934 5.1014 5.1248 5.2589 5.3144 5.5952 5.5979 5.8319 5.8387 7.5403 7.5557 7.6284 7.6362 7.9136 7.9271 8.0756 8.0813 8.3095 8.3139 10.4802 10.4818 11.6662 11.6714 k = 0.2500 0.2500-0.0000 ( 5942 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8612 -31.8612 -31.8610 -31.8610 -7.2915 -7.2913 -6.4840 -6.4821 -6.4597 -6.4578 -6.3394 -6.3387 0.6919 0.6963 0.7466 0.7483 1.4808 1.4820 1.6148 1.6235 2.0001 2.0249 2.0633 2.0636 2.2771 2.2775 2.3354 2.3611 2.4882 2.5207 2.7769 2.7881 2.8897 2.9089 3.1296 3.1383 3.5934 3.5999 3.7415 3.8099 3.8251 3.8855 3.9067 3.9106 3.9635 4.0199 4.0463 4.0505 4.1720 4.1962 4.3659 4.3717 4.4287 4.5439 4.6532 4.6569 4.8927 4.8988 5.1342 5.1541 5.2298 5.2835 5.6097 5.6132 5.8283 5.8350 7.5394 7.5542 7.6146 7.6219 7.9099 7.9249 8.0795 8.0832 8.3020 8.3062 10.4016 10.4034 11.6313 11.6357 k = 0.2381 0.2381-0.0000 ( 5926 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8612 -31.8612 -31.8610 -31.8610 -7.3125 -7.3123 -6.4727 -6.4708 -6.4496 -6.4478 -6.3368 -6.3361 0.6703 0.6744 0.7222 0.7240 1.4562 1.4572 1.6438 1.6525 1.9975 2.0218 2.0599 2.0602 2.2974 2.2980 2.3533 2.3800 2.4951 2.5278 2.8073 2.8190 2.9042 2.9231 3.1476 3.1556 3.5872 3.5923 3.7456 3.8030 3.8205 3.8832 3.8971 3.8980 3.9629 4.0206 4.0497 4.0504 4.1618 4.1833 4.3482 4.3577 4.4458 4.5600 4.6564 4.6633 4.8960 4.9034 5.1675 5.1779 5.2067 5.2523 5.6241 5.6283 5.8255 5.8321 7.5388 7.5528 7.6017 7.6085 7.9055 7.9211 8.0857 8.0878 8.2939 8.2979 10.3219 10.3239 11.5986 11.6023 k = 0.2262 0.2262-0.0000 ( 5932 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8612 -31.8612 -31.8610 -31.8610 -7.3330 -7.3328 -6.4614 -6.4595 -6.4396 -6.4379 -6.3346 -6.3339 0.6488 0.6527 0.6978 0.6996 1.4322 1.4330 1.6722 1.6809 1.9949 2.0186 2.0556 2.0558 2.3187 2.3196 2.3715 2.3989 2.5022 2.5348 2.8382 2.8502 2.9194 2.9378 3.1646 3.1719 3.5804 3.5835 3.7511 3.7937 3.8131 3.8711 3.8866 3.9003 3.9626 4.0213 4.0506 4.0536 4.1531 4.1707 4.3306 4.3417 4.4647 4.5753 4.6607 4.6707 4.8990 4.9074 5.1623 5.1966 5.2239 5.2256 5.6380 5.6428 5.8231 5.8294 7.5385 7.5515 7.5896 7.5959 7.9012 7.9167 8.0933 8.0944 8.2852 8.2891 10.2412 10.2434 11.5682 11.5711 k = 0.2143 0.2143-0.0000 ( 5938 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8611 -31.8611 -31.8609 -31.8609 -7.3528 -7.3526 -6.4502 -6.4483 -6.4298 -6.4281 -6.3326 -6.3320 0.6276 0.6313 0.6736 0.6753 1.4088 1.4095 1.6998 1.7085 1.9922 2.0154 2.0507 2.0507 2.3405 2.3418 2.3899 2.4176 2.5094 2.5416 2.8693 2.8815 2.9352 2.9530 3.1803 3.1870 3.5730 3.5737 3.7574 3.7820 3.8016 3.8605 3.8777 3.9064 3.9626 4.0216 4.0511 4.0579 4.1463 4.1584 4.3131 4.3251 4.4843 4.5897 4.6659 4.6791 4.9018 4.9108 5.1335 5.1829 5.2427 5.2555 5.6512 5.6567 5.8208 5.8267 7.5383 7.5501 7.5783 7.5841 7.8978 7.9126 8.1016 8.1020 8.2761 8.2799 10.1597 10.1620 11.5401 11.5422 k = 0.2024 0.2024-0.0000 ( 5936 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8611 -31.8611 -31.8609 -31.8609 -7.3718 -7.3717 -6.4391 -6.4373 -6.4202 -6.4185 -6.3310 -6.3303 0.6069 0.6103 0.6496 0.6514 1.3863 1.3868 1.7267 1.7353 1.9895 2.0122 2.0452 2.0456 2.3624 2.3643 2.4084 2.4360 2.5166 2.5483 2.9005 2.9127 2.9518 2.9687 3.1950 3.2010 3.5633 3.5651 3.7582 3.7736 3.7855 3.8537 3.8714 3.9135 3.9631 4.0206 4.0522 4.0625 4.1416 4.1466 4.2959 4.3082 4.5044 4.6034 4.6721 4.6885 4.9045 4.9137 5.1043 5.1528 5.2773 5.2890 5.6637 5.6698 5.8183 5.8237 7.5380 7.5484 7.5679 7.5731 7.8961 7.9098 8.1101 8.1102 8.2667 8.2703 10.0777 10.0800 11.5144 11.5158 k = 0.1905 0.1905-0.0000 ( 5940 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8611 -31.8611 -31.8609 -31.8609 -7.3901 -7.3900 -6.4281 -6.4264 -6.4108 -6.4092 -6.3296 -6.3290 0.5867 0.5898 0.6260 0.6278 1.3645 1.3650 1.7526 1.7611 1.9869 2.0089 2.0395 2.0402 2.3841 2.3867 2.4267 2.4540 2.5239 2.5546 2.9314 2.9437 2.9694 2.9851 3.2084 3.2138 3.5521 3.5567 3.7431 3.7660 3.7793 3.8499 3.8676 3.9211 3.9641 4.0181 4.0542 4.0673 4.1355 4.1388 4.2791 4.2913 4.5248 4.6164 4.6790 4.6987 4.9069 4.9159 5.0758 5.1223 5.3134 5.3234 5.6751 5.6817 5.8156 5.8204 7.5375 7.5463 7.5583 7.5630 7.8966 7.9089 8.1181 8.1185 8.2571 8.2605 9.9952 9.9975 11.4911 11.4918 k = 0.1786 0.1786-0.0000 ( 5938 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8611 -31.8611 -31.8609 -31.8609 -7.4076 -7.4075 -6.4175 -6.4158 -6.4016 -6.4001 -6.3285 -6.3279 0.5671 0.5700 0.6030 0.6047 1.3436 1.3440 1.7774 1.7857 1.9843 2.0057 2.0338 2.0349 2.4053 2.4087 2.4449 2.4713 2.5312 2.5607 2.9618 2.9743 2.9881 3.0020 3.2207 3.2255 3.5407 3.5477 3.7229 3.7442 3.7885 3.8478 3.8659 3.9289 3.9656 4.0140 4.0571 4.0720 4.1253 4.1379 4.2627 4.2747 4.5455 4.6288 4.6866 4.7097 4.9092 4.9173 5.0487 5.0927 5.3500 5.3583 5.6854 5.6925 5.8125 5.8166 7.5365 7.5434 7.5498 7.5537 7.8997 7.9104 8.1257 8.1263 8.2475 8.2506 9.9126 9.9148 11.4702 11.4702 k = 0.1667 0.1667-0.0000 ( 5928 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8610 -31.8610 -31.8609 -31.8609 -7.4241 -7.4241 -6.4071 -6.4055 -6.3928 -6.3913 -6.3276 -6.3270 0.5483 0.5510 0.5807 0.5824 1.3238 1.3241 1.8011 1.8092 1.9818 2.0024 2.0282 2.0297 2.4259 2.4299 2.4628 2.4879 2.5384 2.5664 2.9907 3.0044 3.0088 3.0195 3.2318 3.2361 3.5289 3.5383 3.7006 3.7211 3.7981 3.8467 3.8660 3.9366 3.9677 4.0087 4.0608 4.0765 4.1160 4.1384 4.2468 4.2586 4.5664 4.6407 4.6948 4.7213 4.9112 4.9179 5.0235 5.0642 5.3868 5.3934 5.6944 5.7020 5.8090 5.8124 7.5349 7.5389 7.5431 7.5452 7.9057 7.9147 8.1327 8.1334 8.2379 8.2408 9.8300 9.8320 11.4510 11.4516 k = 0.1548 0.1548-0.0000 ( 5936 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8610 -31.8610 -31.8609 -31.8609 -7.4397 -7.4397 -6.3972 -6.3956 -6.3844 -6.3830 -6.3269 -6.3263 0.5304 0.5328 0.5592 0.5609 1.3049 1.3051 1.8235 1.8313 1.9794 1.9991 2.0228 2.0247 2.4455 2.4503 2.4803 2.5036 2.5457 2.5718 3.0167 3.0325 3.0337 3.0377 3.2418 3.2455 3.5169 3.5284 3.6771 3.6970 3.8075 3.8462 3.8677 3.9437 3.9706 4.0025 4.0650 4.0804 4.1082 4.1401 4.2314 4.2432 4.5875 4.6522 4.7034 4.7333 4.9127 4.9170 5.0009 5.0374 5.4234 5.4285 5.7020 5.7099 5.8052 5.8078 7.5324 7.5325 7.5378 7.5384 7.9148 7.9221 8.1388 8.1395 8.2285 8.2311 9.7477 9.7496 11.4343 11.4354 k = 0.1429 0.1429-0.0000 ( 5928 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8610 -31.8610 -31.8609 -31.8609 -7.4544 -7.4543 -6.3876 -6.3862 -6.3763 -6.3750 -6.3264 -6.3258 0.5134 0.5156 0.5387 0.5403 1.2871 1.2873 1.8445 1.8520 1.9771 1.9958 2.0178 2.0199 2.4639 2.4694 2.4972 2.5182 2.5530 2.5769 3.0399 3.0565 3.0593 3.0624 3.2507 3.2540 3.5047 3.5181 3.6527 3.6722 3.8161 3.8460 3.8711 3.9498 3.9742 3.9961 4.0695 4.0828 4.1025 4.1427 4.2167 4.2286 4.6087 4.6634 4.7124 4.7456 4.9135 4.9138 4.9819 5.0127 5.4594 5.4633 5.7081 5.7162 5.8011 5.8029 7.5261 7.5285 7.5318 7.5339 7.9270 7.9327 8.1440 8.1446 8.2193 8.2218 9.6662 9.6678 11.4199 11.4216 k = 0.1310 0.1310-0.0000 ( 5938 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8610 -31.8610 -31.8609 -31.8609 -7.4680 -7.4680 -6.3786 -6.3773 -6.3688 -6.3675 -6.3260 -6.3255 0.4975 0.4994 0.5193 0.5208 1.2705 1.2707 1.8640 1.8712 1.9749 1.9925 2.0131 2.0155 2.4811 2.4872 2.5134 2.5318 2.5603 2.5816 3.0622 3.0760 3.0870 3.0901 3.2587 3.2615 3.4925 3.5074 3.6278 3.6469 3.8235 3.8460 3.8760 3.9547 3.9783 3.9896 4.0741 4.0828 4.1001 4.1458 4.2025 4.2152 4.6296 4.6741 4.7216 4.7579 4.9070 4.9127 4.9680 4.9910 5.4946 5.4973 5.7125 5.7208 5.7970 5.7980 7.5202 7.5230 7.5276 7.5293 7.9423 7.9465 8.1481 8.1487 8.2107 8.2129 9.5857 9.5872 11.4079 11.4099 k = 0.1190 0.1190-0.0000 ( 5944 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8609 -31.8609 -31.8609 -31.8609 -7.4806 -7.4805 -6.3702 -6.3690 -6.3617 -6.3605 -6.3258 -6.3252 0.4826 0.4844 0.5012 0.5026 1.2551 1.2552 1.8821 1.8888 1.9728 1.9892 2.0091 2.0114 2.4970 2.5035 2.5288 2.5442 2.5676 2.5860 3.0847 3.0961 3.1143 3.1166 3.2657 3.2680 3.4802 3.4963 3.6023 3.6212 3.8296 3.8462 3.8825 3.9587 3.9824 3.9834 4.0787 4.0810 4.1003 4.1493 4.1890 4.2032 4.6500 4.6845 4.7311 4.7701 4.8966 4.9093 4.9597 4.9736 5.5285 5.5303 5.7155 5.7237 5.7929 5.7933 7.5149 7.5176 7.5234 7.5244 7.9604 7.9634 8.1512 8.1517 8.2026 8.2047 9.5069 9.5081 11.3980 11.4003 k = 0.1071 0.1071-0.0000 ( 5932 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8609 -31.8609 -7.4920 -7.4920 -6.3624 -6.3613 -6.3551 -6.3540 -6.3256 -6.3251 0.4690 0.4706 0.4844 0.4857 1.2410 1.2411 1.8986 1.9048 1.9709 1.9859 2.0056 2.0079 2.5114 2.5179 2.5433 2.5556 2.5748 2.5900 3.1076 3.1168 3.1409 3.1421 3.2718 3.2737 3.4679 3.4849 3.5768 3.5952 3.8345 3.8465 3.8903 3.9620 3.9777 3.9857 4.0791 4.0830 4.1013 4.1529 4.1763 4.1929 4.6693 4.6942 4.7408 4.7820 4.8839 4.9021 4.9555 4.9619 5.5608 5.5618 5.7169 5.7249 5.7890 5.7891 7.5103 7.5126 7.5191 7.5194 7.9811 7.9831 8.1532 8.1536 8.1952 8.1971 9.4301 9.4311 11.3902 11.3927 k = 0.0952 0.0952-0.0000 ( 5932 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8609 -31.8609 -7.5024 -7.5023 -6.3553 -6.3544 -6.3490 -6.3480 -6.3255 -6.3250 0.4567 0.4580 0.4691 0.4703 1.2282 1.2282 1.9133 1.9189 1.9692 1.9826 2.0028 2.0049 2.5243 2.5303 2.5567 2.5660 2.5819 2.5937 3.1310 3.1381 3.1663 3.1664 3.2771 3.2787 3.4557 3.4732 3.5510 3.5690 3.8383 3.8467 3.8988 3.9646 3.9727 3.9877 4.0784 4.0871 4.1019 4.1562 4.1644 4.1846 4.6869 4.7032 4.7508 4.7933 4.8710 4.8913 4.9538 4.9559 5.5909 5.5912 5.7170 5.7244 5.7854 5.7859 7.5062 7.5083 7.5144 7.5147 8.0038 8.0051 8.1543 8.1546 8.1887 8.1904 9.3562 9.3569 11.3843 11.3868 k = 0.0833 0.0833-0.0000 ( 5930 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8609 -31.8608 -7.5115 -7.5115 -6.3489 -6.3482 -6.3436 -6.3426 -6.3254 -6.3250 0.4456 0.4468 0.4553 0.4564 1.2168 1.2168 1.9262 1.9312 1.9677 1.9795 2.0007 2.0024 2.5356 2.5408 2.5688 2.5756 2.5886 2.5971 3.1549 3.1598 3.1892 3.1906 3.2816 3.2829 3.4435 3.4612 3.5254 3.5427 3.8412 3.8470 3.9077 3.9667 3.9685 3.9883 4.0790 4.0906 4.1015 4.1524 4.1603 4.1784 4.7019 4.7111 4.7616 4.8037 4.8591 4.8788 4.9534 4.9535 5.6182 5.6183 5.7160 5.7226 5.7827 5.7833 7.5027 7.5045 7.5097 7.5103 8.0281 8.0288 8.1545 8.1547 8.1831 8.1846 9.2859 9.2864 11.3800 11.3826 k = 0.0714 0.0714-0.0000 ( 5930 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8608 -31.8608 -7.5196 -7.5195 -6.3434 -6.3428 -6.3387 -6.3379 -6.3254 -6.3249 0.4360 0.4370 0.4432 0.4441 1.2068 1.2068 1.9372 1.9416 1.9664 1.9765 1.9992 2.0006 2.5453 2.5492 2.5796 2.5844 2.5947 2.6001 3.1791 3.1819 3.2107 3.2135 3.2854 3.2864 3.4315 3.4489 3.4999 3.5165 3.8435 3.8473 3.9167 3.9652 3.9682 3.9874 4.0808 4.0936 4.1002 4.1420 4.1632 4.1744 4.7136 4.7178 4.7731 4.8131 4.8492 4.8665 4.9532 4.9537 5.6420 5.6424 5.7142 5.7198 5.7811 5.7815 7.4997 7.5013 7.5054 7.5061 8.0530 8.0533 8.1541 8.1542 8.1784 8.1798 9.2202 9.2205 11.3771 11.3796 k = 0.0595 0.0595-0.0000 ( 5936 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8608 -31.8608 -7.5264 -7.5264 -6.3387 -6.3383 -6.3345 -6.3337 -6.3253 -6.3249 0.4277 0.4285 0.4328 0.4336 1.1982 1.1982 1.9463 1.9499 1.9654 1.9737 1.9985 1.9995 2.5533 2.5560 2.5889 2.5922 2.5999 2.6029 3.2035 3.2043 3.2307 3.2348 3.2886 3.2893 3.4197 3.4365 3.4747 3.4903 3.8453 3.8475 3.9256 3.9628 3.9690 3.9854 4.0833 4.0960 4.0984 4.1322 4.1659 4.1722 4.7217 4.7231 4.7852 4.8210 4.8414 4.8558 4.9538 4.9544 5.6622 5.6628 5.7118 5.7164 5.7805 5.7808 7.4973 7.4985 7.5015 7.5023 8.0775 8.0775 8.1535 8.1536 8.1748 8.1759 9.1603 9.1605 11.3755 11.3782 k = 0.0476 0.0476-0.0000 ( 5953 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5320 -7.5320 -6.3350 -6.3348 -6.3310 -6.3303 -6.3252 -6.3248 0.4209 0.4216 0.4242 0.4249 1.1911 1.1911 1.9533 1.9561 1.9647 1.9713 1.9984 1.9990 2.5597 2.5612 2.5966 2.5989 2.6041 2.6054 3.2266 3.2278 3.2491 3.2542 3.2911 3.2917 3.4084 3.4241 3.4502 3.4645 3.8466 3.8478 3.9342 3.9614 3.9691 3.9825 4.0862 4.0967 4.0977 4.1232 4.1682 4.1713 4.7267 4.7269 4.7972 4.8272 4.8359 4.8469 4.9548 4.9552 5.6784 5.6790 5.7094 5.7130 5.7810 5.7812 7.4953 7.4963 7.4982 7.4989 8.0998 8.0999 8.1534 8.1534 8.1720 8.1729 9.1076 9.1077 11.3769 11.3789 k = 0.0357 0.0357-0.0000 ( 5975 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5363 -7.5363 -6.3323 -6.3322 -6.3281 -6.3276 -6.3250 -6.3246 0.4156 0.4161 0.4175 0.4180 1.1856 1.1856 1.9585 1.9605 1.9642 1.9691 1.9988 1.9991 2.5645 2.5652 2.6028 2.6042 2.6073 2.6076 3.2484 3.2512 3.2655 3.2712 3.2930 3.2935 3.3981 3.4119 3.4269 3.4396 3.8474 3.8479 3.9424 3.9609 3.9684 3.9789 4.0890 4.0957 4.0988 4.1153 4.1699 4.1711 4.7293 4.7295 4.8083 4.8314 4.8324 4.8402 4.9558 4.9560 5.6904 5.6910 5.7072 5.7098 5.7823 5.7824 7.4939 7.4946 7.4955 7.4962 8.1177 8.1178 8.1550 8.1550 8.1700 8.1707 9.0638 9.0638 11.3753 11.3772 k = 0.0238 0.0238-0.0000 ( 5983 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5395 -7.5395 -6.3305 -6.3305 -6.3260 -6.3256 -6.3247 -6.3244 0.4119 0.4122 0.4127 0.4130 1.1817 1.1817 1.9620 1.9633 1.9641 1.9673 1.9994 1.9995 2.5678 2.5680 2.6072 2.6081 2.6094 2.6096 3.2689 3.2727 3.2794 3.2847 3.2943 3.2948 3.3898 3.4006 3.4061 3.4164 3.8480 3.8482 3.9501 3.9613 3.9671 3.9746 4.0917 4.0958 4.0991 4.1083 4.1711 4.1715 4.7306 4.7307 4.8178 4.8306 4.8334 4.8357 4.9566 4.9567 5.6984 5.6989 5.7055 5.7072 5.7840 5.7840 7.4929 7.4934 7.4937 7.4941 8.1287 8.1287 8.1595 8.1596 8.1686 8.1691 9.0307 9.0307 11.3748 11.3759 k = 0.0119 0.0119-0.0000 ( 6011 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5414 -7.5414 -6.3296 -6.3296 -6.3246 -6.3245 -6.3243 -6.3242 0.4096 0.4098 0.4098 0.4100 1.1792 1.1792 1.9639 1.9644 1.9646 1.9659 1.9999 1.9999 2.5696 2.5696 2.6100 2.6104 2.6105 2.6108 3.2857 3.2890 3.2897 3.2931 3.2952 3.2957 3.3850 3.3907 3.3912 3.3970 3.8482 3.8483 3.9572 3.9623 3.9654 3.9695 4.0944 4.0967 4.0987 4.1025 4.1717 4.1717 4.7312 4.7312 4.8253 4.8300 4.8321 4.8334 4.9571 4.9571 5.7030 5.7032 5.7046 5.7054 5.7854 5.7854 7.4923 7.4925 7.4925 7.4928 8.1331 8.1331 8.1652 8.1653 8.1678 8.1681 9.0099 9.0099 11.3750 11.3754 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5420 -7.5420 -6.3293 -6.3293 -6.3241 -6.3241 -6.3241 -6.3241 0.4089 0.4089 0.4089 0.4089 1.1784 1.1784 1.9649 1.9649 1.9649 1.9649 2.0001 2.0001 2.5702 2.5702 2.6110 2.6110 2.6110 2.6110 3.2941 3.2941 3.2941 3.2941 3.2967 3.2967 3.3860 3.3860 3.3860 3.3860 3.8483 3.8483 3.9637 3.9637 3.9637 3.9637 4.0979 4.0979 4.0979 4.0979 4.1718 4.1718 4.7313 4.7313 4.8305 4.8305 4.8305 4.8305 4.9572 4.9572 5.7045 5.7045 5.7045 5.7045 5.7859 5.7859 7.4922 7.4922 7.4922 7.4922 8.1341 8.1341 8.1677 8.1677 8.1677 8.1677 9.0029 9.0029 11.3747 11.3755 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5420 -7.5420 -6.3293 -6.3293 -6.3241 -6.3241 -6.3241 -6.3241 0.4089 0.4089 0.4089 0.4089 1.1784 1.1784 1.9649 1.9649 1.9649 1.9649 2.0001 2.0001 2.5702 2.5702 2.6110 2.6110 2.6110 2.6110 3.2941 3.2941 3.2941 3.2941 3.2967 3.2967 3.3860 3.3860 3.3860 3.3860 3.8483 3.8483 3.9637 3.9637 3.9637 3.9637 4.0979 4.0979 4.0979 4.0979 4.1718 4.1718 4.7313 4.7313 4.8305 4.8305 4.8305 4.8305 4.9572 4.9572 5.7045 5.7045 5.7045 5.7045 5.7859 5.7859 7.4922 7.4922 7.4922 7.4922 8.1341 8.1341 8.1677 8.1677 8.1677 8.1677 9.0029 9.0029 11.3746 11.3751 k = 0.0098 0.0098 0.0098 ( 6019 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5413 -7.5413 -6.3296 -6.3296 -6.3246 -6.3244 -6.3244 -6.3243 0.4097 0.4098 0.4098 0.4100 1.1793 1.1793 1.9641 1.9644 1.9644 1.9660 1.9999 1.9999 2.5696 2.5696 2.6100 2.6105 2.6105 2.6106 3.2865 3.2900 3.2900 3.2917 3.2948 3.2948 3.3861 3.3909 3.3909 3.3964 3.8482 3.8482 3.9569 3.9639 3.9639 3.9697 4.0944 4.0976 4.0976 4.1027 4.1716 4.1716 4.7312 4.7312 4.8250 4.8312 4.8312 4.8334 4.9570 4.9570 5.7030 5.7030 5.7046 5.7055 5.7854 5.7854 7.4923 7.4925 7.4925 7.4927 8.1331 8.1331 8.1651 8.1651 8.1679 8.1682 9.0101 9.0101 11.3755 11.3760 k = 0.0196 0.0196 0.0196 ( 5983 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5394 -7.5394 -6.3304 -6.3304 -6.3256 -6.3251 -6.3251 -6.3251 0.4123 0.4125 0.4125 0.4128 1.1817 1.1817 1.9627 1.9627 1.9637 1.9674 1.9994 1.9994 2.5678 2.5678 2.6075 2.6086 2.6089 2.6089 3.2730 3.2782 3.2782 3.2800 3.2910 3.2910 3.3962 3.4033 3.4033 3.4134 3.8481 3.8481 3.9495 3.9644 3.9644 3.9747 4.0924 4.0970 4.0970 4.1086 4.1713 4.1713 4.7306 4.7306 4.8168 4.8335 4.8335 4.8336 4.9566 4.9566 5.6982 5.6982 5.7057 5.7076 5.7840 5.7840 7.4931 7.4935 7.4935 7.4939 8.1284 8.1284 8.1595 8.1595 8.1688 8.1693 9.0311 9.0311 11.3780 11.3783 k = 0.0294 0.0294 0.0294 ( 5971 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5362 -7.5362 -6.3318 -6.3318 -6.3273 -6.3265 -6.3263 -6.3263 0.4166 0.4169 0.4169 0.4174 1.1857 1.1857 1.9598 1.9598 1.9637 1.9691 1.9988 1.9988 2.5648 2.5648 2.6035 2.6051 2.6063 2.6063 3.2568 3.2623 3.2623 3.2631 3.2850 3.2850 3.4119 3.4196 3.4196 3.4334 3.8477 3.8477 3.9415 3.9651 3.9651 3.9785 4.0920 4.0959 4.0959 4.1155 4.1705 4.1705 4.7292 4.7292 4.8062 4.8312 4.8376 4.8376 4.9559 4.9559 5.6895 5.6895 5.7078 5.7106 5.7825 5.7825 7.4945 7.4952 7.4952 7.4957 8.1166 8.1166 8.1554 8.1554 8.1704 8.1712 9.0647 9.0647 11.3811 11.3830 k = 0.0392 0.0392 0.0392 ( 5953 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8608 -31.8608 -31.8608 -31.8608 -7.5318 -7.5318 -6.3337 -6.3337 -6.3295 -6.3285 -6.3280 -6.3280 0.4226 0.4231 0.4231 0.4237 1.1913 1.1913 1.9552 1.9552 1.9639 1.9712 1.9984 1.9984 2.5606 2.5606 2.5980 2.6001 2.6027 2.6027 3.2394 3.2438 3.2446 3.2446 3.2767 3.2767 3.4306 3.4379 3.4379 3.4549 3.8472 3.8472 3.9330 3.9660 3.9660 3.9811 4.0933 4.0944 4.0944 4.1232 4.1695 4.1695 4.7264 4.7264 4.7934 4.8264 4.8441 4.8441 4.9551 4.9551 5.6762 5.6762 5.7106 5.7145 5.7815 5.7815 7.4966 7.4974 7.4974 7.4981 8.0973 8.0973 8.1548 8.1548 8.1727 8.1737 9.1089 9.1089 11.3861 11.3863 k = 0.0490 0.0490 0.0490 ( 5941 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8609 -31.8608 -7.5261 -7.5261 -6.3363 -6.3363 -6.3323 -6.3310 -6.3301 -6.3301 0.4304 0.4309 0.4309 0.4317 1.1985 1.1985 1.9489 1.9489 1.9645 1.9736 1.9985 1.9985 2.5551 2.5551 2.5910 2.5936 2.5982 2.5982 3.2216 3.2235 3.2261 3.2261 3.2661 3.2661 3.4508 3.4571 3.4571 3.4773 3.8465 3.8465 3.9241 3.9671 3.9671 3.9823 4.0925 4.0925 4.0964 4.1316 4.1684 4.1684 4.7219 4.7219 4.7786 4.8196 4.8531 4.8531 4.9545 4.9545 5.6580 5.6580 5.7140 5.7190 5.7816 5.7816 7.4992 7.5003 7.5003 7.5011 8.0734 8.0734 8.1565 8.1565 8.1755 8.1767 9.1619 9.1619 11.3926 11.3927 k = 0.0588 0.0588 0.0588 ( 5938 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8609 -31.8609 -7.5192 -7.5192 -6.3394 -6.3394 -6.3358 -6.3342 -6.3327 -6.3327 0.4398 0.4404 0.4404 0.4414 1.2071 1.2071 1.9405 1.9405 1.9654 1.9762 1.9990 1.9990 2.5484 2.5484 2.5826 2.5856 2.5927 2.5927 3.2030 3.2038 3.2073 3.2073 3.2531 3.2531 3.4719 3.4768 3.4768 3.4999 3.8456 3.8456 3.9148 3.9683 3.9683 3.9823 4.0902 4.0902 4.1012 4.1406 4.1674 4.1674 4.7155 4.7155 4.7624 4.8110 4.8647 4.8647 4.9544 4.9544 5.6349 5.6349 5.7178 5.7241 5.7826 5.7826 7.5026 7.5039 7.5039 7.5048 8.0472 8.0472 8.1595 8.1595 8.1789 8.1803 9.2218 9.2218 11.4010 11.4011 k = 0.0686 0.0686 0.0686 ( 5938 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8609 -31.8609 -7.5110 -7.5110 -6.3431 -6.3431 -6.3397 -6.3379 -6.3356 -6.3356 0.4508 0.4515 0.4515 0.4527 1.2172 1.2172 1.9303 1.9303 1.9667 1.9792 2.0001 2.0001 2.5403 2.5403 2.5727 2.5761 2.5864 2.5864 3.1825 3.1862 3.1885 3.1885 3.2378 3.2378 3.4937 3.4966 3.4966 3.5226 3.8444 3.8444 3.9052 3.9694 3.9694 3.9813 4.0877 4.0877 4.1075 4.1502 4.1667 4.1667 4.7076 4.7076 4.7450 4.8010 4.8779 4.8779 4.9556 4.9556 5.6073 5.6073 5.7217 5.7294 5.7845 5.7845 7.5066 7.5081 7.5081 7.5091 8.0202 8.0202 8.1633 8.1633 8.1827 8.1843 9.2870 9.2870 11.4115 11.4115 k = 0.0784 0.0784 0.0784 ( 5926 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8609 -31.8609 -7.5016 -7.5016 -6.3474 -6.3474 -6.3442 -6.3422 -6.3389 -6.3389 0.4633 0.4640 0.4640 0.4655 1.2287 1.2287 1.9181 1.9181 1.9682 1.9824 2.0018 2.0018 2.5309 2.5309 2.5614 2.5651 2.5794 2.5794 3.1624 3.1689 3.1699 3.1699 3.2203 3.2203 3.5158 3.5163 3.5163 3.5453 3.8432 3.8432 3.8954 3.9704 3.9704 3.9793 4.0850 4.0850 4.1151 4.1603 4.1664 4.1664 4.6983 4.6983 4.7270 4.7900 4.8915 4.8915 4.9594 4.9594 5.5758 5.5758 5.7257 5.7347 5.7869 5.7869 7.5112 7.5129 7.5129 7.5140 7.9935 7.9935 8.1678 8.1678 8.1870 8.1886 9.3561 9.3561 11.4243 11.4243 k = 0.0882 0.0882 0.0882 ( 5932 PWs) bands (ev): -58.2521 -58.2521 -32.6853 -32.6853 -31.8609 -31.8609 -31.8609 -31.8609 -7.4911 -7.4911 -6.3522 -6.3522 -6.3492 -6.3469 -6.3426 -6.3426 0.4772 0.4780 0.4780 0.4797 1.2414 1.2414 1.9042 1.9042 1.9701 1.9859 2.0039 2.0039 2.5202 2.5202 2.5487 2.5527 2.5717 2.5717 3.1426 3.1516 3.1516 3.1520 3.2006 3.2006 3.5359 3.5359 3.5382 3.5678 3.8416 3.8416 3.8853 3.9710 3.9710 3.9768 4.0823 4.0823 4.1236 4.1666 4.1666 4.1707 4.6880 4.6880 4.7087 4.7784 4.9027 4.9027 4.9681 4.9681 5.5408 5.5408 5.7294 5.7399 5.7895 5.7895 7.5165 7.5184 7.5184 7.5196 7.9679 7.9679 8.1728 8.1728 8.1916 8.1933 9.4278 9.4278 11.4395 11.4396 k = 0.0980 0.0980 0.0980 ( 5932 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8609 -31.8609 -31.8609 -31.8609 -7.4794 -7.4794 -6.3575 -6.3575 -6.3547 -6.3522 -6.3466 -6.3466 0.4924 0.4933 0.4933 0.4952 1.2554 1.2554 1.8885 1.8885 1.9722 1.9897 2.0064 2.0064 2.5083 2.5083 2.5348 2.5389 2.5634 2.5634 3.1234 3.1337 3.1337 3.1354 3.1788 3.1788 3.5551 3.5551 3.5608 3.5899 3.8400 3.8400 3.8750 3.9712 3.9712 3.9738 4.0796 4.0796 4.1330 4.1676 4.1676 4.1815 4.6774 4.6774 4.6905 4.7666 4.9096 4.9096 4.9835 4.9835 5.5027 5.5027 5.7329 5.7448 5.7922 5.7922 7.5224 7.5244 7.5244 7.5257 7.9440 7.9440 8.1781 8.1781 8.1964 8.1981 9.5011 9.5011 11.4574 11.4574 k = 0.1078 0.1078 0.1078 ( 5938 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8609 -31.8609 -31.8609 -31.8609 -7.4665 -7.4665 -6.3632 -6.3632 -6.3606 -6.3579 -6.3509 -6.3509 0.5089 0.5098 0.5098 0.5120 1.2705 1.2705 1.8712 1.8712 1.9746 1.9937 2.0092 2.0092 2.4951 2.4951 2.5198 2.5239 2.5546 2.5546 3.1047 3.1162 3.1162 3.1194 3.1551 3.1551 3.5738 3.5738 3.5834 3.6116 3.8382 3.8382 3.8646 3.9705 3.9709 3.9709 4.0770 4.0770 4.1429 4.1695 4.1695 4.1924 4.6666 4.6666 4.6729 4.7549 4.9122 4.9122 5.0053 5.0053 5.4621 5.4621 5.7359 5.7493 5.7947 5.7947 7.5290 7.5311 7.5311 7.5325 7.9220 7.9220 8.1837 8.1837 8.2015 8.2032 9.5750 9.5750 11.4759 11.4763 k = 0.1176 0.1176 0.1176 ( 5944 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8609 -31.8609 -31.8609 -31.8609 -7.4526 -7.4526 -6.3695 -6.3695 -6.3670 -6.3641 -6.3555 -6.3555 0.5264 0.5273 0.5273 0.5298 1.2866 1.2866 1.8524 1.8524 1.9773 1.9979 2.0124 2.0124 2.4808 2.4808 2.5036 2.5077 2.5454 2.5454 3.0867 3.0992 3.0992 3.1037 3.1297 3.1297 3.5920 3.5920 3.6060 3.6327 3.8362 3.8362 3.8542 3.9672 3.9700 3.9700 4.0746 4.0746 4.1531 4.1723 4.1723 4.2035 4.6561 4.6561 4.6561 4.7437 4.9121 4.9121 5.0316 5.0316 5.4194 5.4194 5.7384 5.7533 5.7969 5.7969 7.5362 7.5383 7.5383 7.5398 7.9024 7.9024 8.1896 8.1896 8.2067 8.2084 9.6485 9.6485 11.4919 11.4936 k = 0.1275 0.1275 0.1275 ( 5938 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8610 -31.8610 -31.8610 -31.8610 -7.4376 -7.4376 -6.3761 -6.3761 -6.3737 -6.3707 -6.3605 -6.3605 0.5449 0.5459 0.5459 0.5486 1.3035 1.3035 1.8320 1.8320 1.9802 2.0022 2.0158 2.0158 2.4654 2.4654 2.4866 2.4905 2.5358 2.5358 3.0693 3.0825 3.0825 3.0886 3.1027 3.1027 3.6095 3.6095 3.6285 3.6531 3.8342 3.8342 3.8438 3.9640 3.9685 3.9685 4.0725 4.0725 4.1636 4.1761 4.1761 4.2147 4.6407 4.6462 4.6462 4.7333 4.9101 4.9101 5.0613 5.0613 5.3750 5.3750 5.7404 5.7567 5.7987 5.7987 7.5440 7.5461 7.5461 7.5478 7.8852 7.8852 8.1957 8.1957 8.2121 8.2136 9.7210 9.7210 11.5100 11.5113 k = 0.1373 0.1373 0.1373 ( 5944 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8610 -31.8610 -31.8610 -31.8610 -7.4216 -7.4216 -6.3831 -6.3831 -6.3808 -6.3776 -6.3657 -6.3657 0.5642 0.5652 0.5652 0.5683 1.3211 1.3211 1.8104 1.8104 1.9834 2.0067 2.0194 2.0194 2.4492 2.4492 2.4687 2.4723 2.5258 2.5258 3.0525 3.0653 3.0653 3.0738 3.0755 3.0755 3.6262 3.6262 3.6508 3.6726 3.8320 3.8320 3.8335 3.9611 3.9666 3.9666 4.0705 4.0705 4.1740 4.1810 4.1810 4.2258 4.6267 4.6372 4.6372 4.7238 4.9069 4.9069 5.0936 5.0936 5.3293 5.3293 5.7419 5.7595 5.8002 5.8002 7.5524 7.5545 7.5545 7.5562 7.8707 7.8707 8.2020 8.2020 8.2176 8.2190 9.7915 9.7915 11.5285 11.5298 k = 0.1471 0.1471 0.1471 ( 5941 PWs) bands (ev): -58.2521 -58.2521 -32.6854 -32.6854 -31.8610 -31.8610 -31.8610 -31.8610 -7.4046 -7.4046 -6.3904 -6.3904 -6.3883 -6.3849 -6.3712 -6.3712 0.5841 0.5851 0.5851 0.5886 1.3392 1.3392 1.7876 1.7876 1.9867 2.0114 2.0232 2.0232 2.4322 2.4322 2.4503 2.4535 2.5156 2.5156 3.0364 3.0411 3.0411 3.0544 3.0544 3.0595 3.6419 3.6419 3.6727 3.6912 3.8234 3.8299 3.8299 3.9586 3.9643 3.9643 4.0688 4.0688 4.1842 4.1868 4.1868 4.2367 4.6146 4.6291 4.6291 4.7156 4.9028 4.9028 5.1278 5.1278 5.2827 5.2827 5.7430 5.7618 5.8012 5.8012 7.5614 7.5633 7.5633 7.5652 7.8589 7.8589 8.2085 8.2085 8.2232 8.2244 9.8594 9.8594 11.5475 11.5484 k = 0.1569 0.1569 0.1569 ( 5935 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8610 -31.8610 -31.8610 -31.8610 -7.3867 -7.3867 -6.3981 -6.3981 -6.3960 -6.3925 -6.3769 -6.3769 0.6046 0.6056 0.6056 0.6094 1.3574 1.3574 1.7638 1.7638 1.9902 2.0161 2.0272 2.0272 2.4148 2.4148 2.4315 2.4342 2.5051 2.5051 3.0109 3.0109 3.0210 3.0389 3.0389 3.0456 3.6565 3.6565 3.6942 3.7085 3.8137 3.8278 3.8278 3.9567 3.9618 3.9618 4.0672 4.0672 4.1937 4.1937 4.1940 4.2474 4.6046 4.6222 4.6222 4.7088 4.8978 4.8978 5.1634 5.1634 5.2360 5.2360 5.7437 5.7635 5.8020 5.8020 7.5708 7.5726 7.5726 7.5746 7.8499 7.8499 8.2151 8.2151 8.2289 8.2299 9.9242 9.9242 11.5674 11.5679 k = 0.1667 0.1667 0.1667 ( 5953 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8610 -31.8610 -31.8610 -31.8610 -7.3679 -7.3679 -6.4060 -6.4060 -6.4040 -6.4004 -6.3828 -6.3828 0.6253 0.6263 0.6263 0.6305 1.3755 1.3755 1.7392 1.7392 1.9938 2.0208 2.0312 2.0312 2.3970 2.3970 2.4124 2.4146 2.4945 2.4945 2.9792 2.9792 3.0061 3.0246 3.0246 3.0320 3.6698 3.6698 3.7151 3.7246 3.8046 3.8257 3.8257 3.9554 3.9593 3.9593 4.0656 4.0656 4.2013 4.2013 4.2032 4.2576 4.5968 4.6166 4.6166 4.7034 4.8920 4.8920 5.1827 5.1827 5.2067 5.2067 5.7440 5.7648 5.8025 5.8025 7.5807 7.5823 7.5823 7.5844 7.8437 7.8437 8.2219 8.2219 8.2348 8.2355 9.9853 9.9853 11.5868 11.5882 k = 0.1765 0.1765 0.1765 ( 5941 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8611 -31.8611 -31.8611 -31.8611 -7.3482 -7.3482 -6.4142 -6.4142 -6.4122 -6.4085 -6.3889 -6.3889 0.6461 0.6471 0.6471 0.6517 1.3930 1.3930 1.7144 1.7144 1.9976 2.0255 2.0352 2.0352 2.3793 2.3793 2.3935 2.3949 2.4837 2.4837 2.9468 2.9468 2.9918 3.0110 3.0110 3.0189 3.6818 3.6818 3.7347 3.7393 3.7966 3.8239 3.8239 3.9552 3.9571 3.9571 4.0643 4.0643 4.2096 4.2096 4.2117 4.2674 4.5913 4.6122 4.6122 4.6996 4.8853 4.8853 5.1386 5.1386 5.2423 5.2423 5.7443 5.7658 5.8030 5.8030 7.5910 7.5923 7.5923 7.5946 7.8404 7.8404 8.2289 8.2289 8.2409 8.2412 10.0424 10.0424 11.6062 11.6067 k = 0.1863 0.1863 0.1863 ( 5947 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8611 -31.8611 -31.8611 -31.8611 -7.3277 -7.3277 -6.4226 -6.4226 -6.4206 -6.4168 -6.3953 -6.3953 0.6669 0.6679 0.6679 0.6729 1.4092 1.4092 1.6897 1.6897 2.0014 2.0302 2.0393 2.0393 2.3617 2.3617 2.3748 2.3756 2.4729 2.4729 2.9141 2.9141 2.9781 2.9980 2.9980 3.0060 3.6923 3.6923 3.7518 3.7524 3.7911 3.8224 3.8224 3.9551 3.9551 3.9560 4.0629 4.0629 4.2184 4.2184 4.2192 4.2767 4.5882 4.6091 4.6091 4.6974 4.8776 4.8776 5.0918 5.0918 5.2822 5.2822 5.7446 5.7667 5.8035 5.8035 7.6016 7.6026 7.6026 7.6050 7.8399 7.8399 8.2361 8.2361 8.2471 8.2473 10.0953 10.0953 11.6249 11.6257 k = 0.1961 0.1961 0.1961 ( 5932 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8611 -31.8611 -31.8611 -31.8611 -7.3065 -7.3065 -6.4311 -6.4311 -6.4292 -6.4253 -6.4017 -6.4017 0.6874 0.6883 0.6883 0.6938 1.4231 1.4231 1.6662 1.6662 2.0053 2.0348 2.0433 2.0433 2.3447 2.3447 2.3566 2.3568 2.4620 2.4620 2.8814 2.8814 2.9648 2.9856 2.9856 2.9934 3.7012 3.7012 3.7615 3.7640 3.7930 3.8214 3.8214 3.9535 3.9535 3.9579 4.0617 4.0617 4.2258 4.2276 4.2276 4.2853 4.5875 4.6072 4.6072 4.6968 4.8687 4.8687 5.0457 5.0457 5.3233 5.3233 5.7452 5.7677 5.8042 5.8042 7.6125 7.6132 7.6132 7.6157 7.8422 7.8422 8.2437 8.2437 8.2533 8.2539 10.1437 10.1437 11.6431 11.6454 k = 0.2059 0.2059 0.2059 ( 5935 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8611 -31.8611 -31.8611 -31.8611 -7.2847 -7.2847 -6.4397 -6.4397 -6.4379 -6.4339 -6.4083 -6.4083 0.7074 0.7083 0.7083 0.7142 1.4332 1.4332 1.6451 1.6451 2.0092 2.0392 2.0472 2.0472 2.3285 2.3285 2.3388 2.3393 2.4510 2.4510 2.8491 2.8491 2.9521 2.9735 2.9735 2.9811 3.7083 3.7083 3.7608 3.7740 3.8050 3.8210 3.8210 3.9523 3.9523 3.9609 4.0604 4.0604 4.2313 4.2369 4.2369 4.2932 4.5889 4.6062 4.6062 4.6976 4.8586 4.8586 5.0009 5.0009 5.3654 5.3654 5.7462 5.7689 5.8053 5.8053 7.6236 7.6239 7.6239 7.6266 7.8472 7.8472 8.2516 8.2516 8.2597 8.2608 10.1878 10.1878 11.6602 11.6610 k = 0.2157 0.2157 0.2157 ( 5926 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8612 -31.8612 -31.8612 -31.8612 -7.2622 -7.2622 -6.4485 -6.4485 -6.4466 -6.4426 -6.4150 -6.4150 0.7267 0.7275 0.7275 0.7339 1.4376 1.4376 1.6282 1.6282 2.0130 2.0434 2.0509 2.0509 2.3134 2.3134 2.3219 2.3230 2.4401 2.4401 2.8175 2.8175 2.9398 2.9620 2.9620 2.9691 3.7138 3.7138 3.7563 3.7827 3.8211 3.8213 3.8213 3.9516 3.9516 3.9649 4.0593 4.0593 4.2358 4.2462 4.2462 4.3004 4.5922 4.6061 4.6061 4.6998 4.8466 4.8466 4.9582 4.9582 5.4083 5.4083 5.7479 5.7707 5.8071 5.8071 7.6348 7.6348 7.6348 7.6375 7.8549 7.8549 8.2598 8.2598 8.2665 8.2681 10.2276 10.2276 11.6759 11.6779 k = 0.2255 0.2255 0.2255 ( 5938 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8612 -31.8612 -31.8612 -31.8612 -7.2392 -7.2392 -6.4573 -6.4573 -6.4554 -6.4513 -6.4219 -6.4219 0.7451 0.7459 0.7459 0.7528 1.4343 1.4343 1.6175 1.6175 2.0168 2.0473 2.0544 2.0544 2.2995 2.2995 2.3064 2.3080 2.4293 2.4293 2.7870 2.7870 2.9279 2.9508 2.9508 2.9573 3.7176 3.7176 3.7511 3.7902 3.8223 3.8223 3.8376 3.9513 3.9513 3.9697 4.0582 4.0582 4.2394 4.2553 4.2553 4.3068 4.5971 4.6062 4.6062 4.7030 4.8320 4.8320 4.9188 4.9188 5.4518 5.4518 5.7506 5.7732 5.8097 5.8097 7.6457 7.6457 7.6461 7.6484 7.8652 7.8652 8.2684 8.2684 8.2737 8.2759 10.2632 10.2632 11.6884 11.6904 k = 0.2353 0.2353 0.2353 ( 5935 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8612 -31.8612 -31.8612 -31.8612 -7.2157 -7.2157 -6.4661 -6.4661 -6.4642 -6.4601 -6.4287 -6.4287 0.7624 0.7631 0.7631 0.7705 1.4223 1.4223 1.6135 1.6135 2.0206 2.0510 2.0577 2.0577 2.2873 2.2873 2.2925 2.2945 2.4185 2.4185 2.7579 2.7579 2.9164 2.9400 2.9400 2.9458 3.7201 3.7201 3.7463 3.7967 3.8240 3.8240 3.8539 3.9514 3.9514 3.9752 4.0571 4.0571 4.2421 4.2642 4.2642 4.3125 4.6032 4.6061 4.6061 4.7071 4.8136 4.8136 4.8847 4.8847 5.4957 5.4957 5.7545 5.7767 5.8136 5.8136 7.6565 7.6565 7.6573 7.6593 7.8779 7.8779 8.2775 8.2775 8.2813 8.2841 10.2949 10.2949 11.6981 11.6983 k = 0.2451 0.2451 0.2451 ( 5941 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8612 -31.8612 -31.8612 -31.8612 -7.1918 -7.1918 -6.4749 -6.4749 -6.4730 -6.4689 -6.4357 -6.4357 0.7784 0.7791 0.7791 0.7869 1.4028 1.4028 1.6152 1.6152 2.0243 2.0544 2.0607 2.0607 2.2768 2.2768 2.2804 2.2826 2.4079 2.4079 2.7307 2.7307 2.9052 2.9296 2.9296 2.9344 3.7214 3.7214 3.7422 3.8024 3.8264 3.8264 3.8695 3.9517 3.9517 3.9811 4.0562 4.0562 4.2441 4.2726 4.2726 4.3175 4.6049 4.6049 4.6100 4.7117 4.7905 4.7905 4.8573 4.8573 5.5400 5.5400 5.7600 5.7816 5.8188 5.8188 7.6673 7.6673 7.6684 7.6700 7.8931 7.8931 8.2871 8.2871 8.2894 8.2929 10.3229 10.3229 11.7037 11.7046 k = 0.2549 0.2549 0.2549 ( 5935 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8613 -31.8613 -31.8613 -31.8613 -7.1676 -7.1676 -6.4836 -6.4836 -6.4817 -6.4776 -6.4427 -6.4427 0.7930 0.7936 0.7936 0.8018 1.3777 1.3777 1.6203 1.6203 2.0280 2.0576 2.0636 2.0636 2.2681 2.2681 2.2702 2.2726 2.3976 2.3976 2.7057 2.7057 2.8945 2.9195 2.9195 2.9234 3.7218 3.7218 3.7388 3.8078 3.8292 3.8292 3.8843 3.9522 3.9522 3.9872 4.0553 4.0553 4.2456 4.2806 4.2806 4.3219 4.6014 4.6014 4.6173 4.7164 4.7647 4.7647 4.8358 4.8358 5.5845 5.5845 5.7673 5.7881 5.8258 5.8258 7.6780 7.6780 7.6794 7.6806 7.9105 7.9105 8.2971 8.2971 8.2980 8.3021 10.3475 10.3475 11.7038 11.7047 k = 0.2647 0.2647 0.2647 ( 5929 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8613 -31.8613 -31.8613 -31.8613 -7.1431 -7.1431 -6.4923 -6.4923 -6.4904 -6.4863 -6.4498 -6.4498 0.8060 0.8065 0.8065 0.8152 1.3490 1.3490 1.6268 1.6268 2.0318 2.0608 2.0665 2.0665 2.2613 2.2613 2.2620 2.2644 2.3874 2.3874 2.6834 2.6834 2.8841 2.9098 2.9098 2.9125 3.7216 3.7216 3.7363 3.8129 3.8324 3.8324 3.8984 3.9528 3.9528 3.9933 4.0544 4.0544 4.2467 4.2880 4.2880 4.3256 4.5941 4.5941 4.6243 4.7209 4.7401 4.7401 4.8178 4.8178 5.6289 5.6289 5.7766 5.7965 5.8347 5.8347 7.6884 7.6884 7.6901 7.6909 7.9301 7.9301 8.3072 8.3076 8.3076 8.3120 10.3691 10.3691 11.6978 11.6988 k = 0.2745 0.2745 0.2745 ( 5923 PWs) bands (ev): -58.2520 -58.2520 -32.6857 -32.6857 -31.8613 -31.8613 -31.8613 -31.8613 -7.1185 -7.1185 -6.5009 -6.5009 -6.4989 -6.4948 -6.4568 -6.4568 0.8174 0.8176 0.8176 0.8268 1.3179 1.3179 1.6332 1.6332 2.0357 2.0639 2.0694 2.0694 2.2556 2.2564 2.2564 2.2580 2.3776 2.3776 2.6639 2.6639 2.8741 2.9003 2.9003 2.9019 3.7211 3.7211 3.7348 3.8180 3.8358 3.8358 3.9116 3.9535 3.9535 3.9993 4.0537 4.0537 4.2475 4.2949 4.2949 4.3288 4.5814 4.5814 4.6307 4.7200 4.7200 4.7248 4.8013 4.8013 5.6732 5.6732 5.7882 5.8071 5.8458 5.8458 7.6987 7.6987 7.7006 7.7010 7.9517 7.9517 8.3169 8.3186 8.3186 8.3223 10.3878 10.3878 11.6841 11.6844 k = 0.2843 0.2843 0.2843 ( 5929 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8613 -31.8613 -31.8613 -31.8613 -7.0937 -7.0937 -6.5093 -6.5093 -6.5072 -6.5033 -6.4639 -6.4639 0.8269 0.8270 0.8270 0.8365 1.2855 1.2855 1.6386 1.6386 2.0398 2.0672 2.0726 2.0726 2.2510 2.2531 2.2531 2.2534 2.3680 2.3680 2.6476 2.6476 2.8644 2.8912 2.8912 2.8916 3.7203 3.7203 3.7341 3.8233 3.8393 3.8393 3.9240 3.9541 3.9541 4.0048 4.0529 4.0529 4.2481 4.3013 4.3013 4.3315 4.5630 4.5630 4.6362 4.7056 4.7056 4.7278 4.7855 4.7855 5.7171 5.7171 5.8023 5.8199 5.8594 5.8594 7.7087 7.7087 7.7108 7.7109 7.9751 7.9751 8.3270 8.3300 8.3300 8.3331 10.4040 10.4040 11.6622 11.6625 k = 0.2941 0.2941 0.2941 ( 5932 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8614 -31.8614 -31.8614 -31.8614 -7.0689 -7.0689 -6.5175 -6.5175 -6.5154 -6.5115 -6.4710 -6.4710 0.8346 0.8346 0.8347 0.8444 1.2522 1.2522 1.6423 1.6423 2.0444 2.0710 2.0762 2.0762 2.2480 2.2505 2.2513 2.2513 2.3588 2.3588 2.6348 2.6348 2.8552 2.8815 2.8824 2.8824 3.7194 3.7194 3.7344 3.8288 3.8429 3.8429 3.9356 3.9545 3.9545 4.0100 4.0520 4.0520 4.2487 4.3071 4.3071 4.3338 4.5403 4.5403 4.6405 4.6957 4.6957 4.7295 4.7698 4.7698 5.7605 5.7605 5.8189 5.8352 5.8756 5.8756 7.7185 7.7185 7.7204 7.7207 8.0002 8.0002 8.3377 8.3417 8.3417 8.3443 10.4180 10.4180 11.6313 11.6314 k = 0.3039 0.3039 0.3039 ( 5932 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8614 -31.8614 -31.8614 -31.8614 -7.0442 -7.0442 -6.5255 -6.5255 -6.5234 -6.5196 -6.4780 -6.4780 0.8403 0.8403 0.8406 0.8505 1.2185 1.2185 1.6439 1.6439 2.0495 2.0754 2.0804 2.0804 2.2464 2.2491 2.2508 2.2508 2.3500 2.3500 2.6254 2.6254 2.8463 2.8717 2.8739 2.8739 3.7185 3.7185 3.7356 3.8345 3.8466 3.8466 3.9464 3.9548 3.9548 4.0146 4.0511 4.0511 4.2493 4.3124 4.3124 4.3358 4.5154 4.5154 4.6433 4.6886 4.6886 4.7298 4.7541 4.7541 5.8029 5.8029 5.8381 5.8532 5.8948 5.8948 7.7280 7.7280 7.7297 7.7303 8.0268 8.0268 8.3487 8.3537 8.3537 8.3559 10.4299 10.4299 11.5906 11.5912 k = 0.3137 0.3137 0.3137 ( 5926 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8614 -31.8614 -31.8614 -31.8614 -7.0196 -7.0196 -6.5334 -6.5334 -6.5311 -6.5274 -6.4851 -6.4851 0.8443 0.8443 0.8449 0.8547 1.1847 1.1847 1.6432 1.6432 2.0551 2.0804 2.0853 2.0853 2.2460 2.2489 2.2513 2.2513 2.3416 2.3416 2.6196 2.6196 2.8378 2.8622 2.8658 2.8658 3.7178 3.7178 3.7379 3.8408 3.8504 3.8504 3.9548 3.9548 3.9564 4.0187 4.0502 4.0502 4.2501 4.3172 4.3172 4.3375 4.4899 4.4899 4.6445 4.6823 4.6823 4.7284 4.7386 4.7386 5.8441 5.8441 5.8599 5.8737 5.9170 5.9170 7.7374 7.7374 7.7388 7.7397 8.0546 8.0546 8.3600 8.3659 8.3659 8.3677 10.4400 10.4400 11.5411 11.5424 k = 0.3235 0.3235 0.3235 ( 5926 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8614 -31.8614 -31.8614 -31.8614 -6.9952 -6.9952 -6.5409 -6.5409 -6.5386 -6.5350 -6.4922 -6.4922 0.8466 0.8466 0.8474 0.8572 1.1512 1.1512 1.6402 1.6402 2.0614 2.0863 2.0911 2.0911 2.2464 2.2499 2.2525 2.2525 2.3337 2.3337 2.6173 2.6173 2.8297 2.8531 2.8580 2.8580 3.7171 3.7171 3.7411 3.8474 3.8542 3.8542 3.9545 3.9545 3.9656 4.0221 4.0489 4.0489 4.2511 4.3216 4.3216 4.3390 4.4654 4.4654 4.6439 4.6757 4.6757 4.7233 4.7233 4.7252 5.8835 5.8835 5.8842 5.8967 5.9426 5.9426 7.7465 7.7465 7.7477 7.7488 8.0836 8.0836 8.3714 8.3781 8.3781 8.3796 10.4486 10.4486 11.4836 11.4850 k = 0.3333 0.3333 0.3333 ( 5926 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8615 -31.8614 -31.8614 -31.8614 -6.9711 -6.9711 -6.5482 -6.5482 -6.5458 -6.5423 -6.4992 -6.4992 0.8474 0.8474 0.8485 0.8580 1.1182 1.1182 1.6351 1.6351 2.0684 2.0931 2.0977 2.0977 2.2474 2.2518 2.2543 2.2543 2.3264 2.3264 2.6182 2.6182 2.8221 2.8443 2.8505 2.8505 3.7165 3.7165 3.7453 3.8543 3.8580 3.8580 3.9538 3.9538 3.9741 4.0248 4.0474 4.0474 4.2524 4.3254 4.3254 4.3402 4.4425 4.4425 4.6416 4.6676 4.6676 4.7087 4.7087 4.7201 5.9109 5.9209 5.9209 5.9220 5.9715 5.9715 7.7555 7.7555 7.7564 7.7577 8.1134 8.1134 8.3830 8.3903 8.3903 8.3914 10.4559 10.4559 11.4198 11.4207 k = 0.3431 0.3431 0.3431 ( 5938 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8615 -31.8615 -31.8615 -31.8615 -6.9475 -6.9475 -6.5552 -6.5552 -6.5527 -6.5494 -6.5062 -6.5062 0.8467 0.8467 0.8481 0.8574 1.0859 1.0859 1.6279 1.6279 2.0760 2.1008 2.1051 2.1051 2.2489 2.2543 2.2564 2.2564 2.3198 2.3198 2.6221 2.6221 2.8149 2.8359 2.8434 2.8434 3.7160 3.7160 3.7503 3.8617 3.8618 3.8618 3.9527 3.9527 3.9819 4.0268 4.0457 4.0457 4.2541 4.3286 4.3286 4.3414 4.4220 4.4220 4.6375 4.6575 4.6575 4.6949 4.6949 4.7132 5.9395 5.9495 5.9564 5.9564 6.0033 6.0033 7.7644 7.7644 7.7651 7.7665 8.1438 8.1438 8.3944 8.4022 8.4022 8.4031 10.4620 10.4620 11.3492 11.3500 k = 0.3529 0.3529 0.3529 ( 5926 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8615 -31.8615 -31.8615 -31.8615 -6.9242 -6.9242 -6.5619 -6.5619 -6.5593 -6.5561 -6.5133 -6.5133 0.8449 0.8449 0.8465 0.8555 1.0545 1.0545 1.6191 1.6191 2.0843 2.1093 2.1132 2.1132 2.2506 2.2573 2.2584 2.2584 2.3139 2.3139 2.6287 2.6287 2.8082 2.8279 2.8368 2.8368 3.7156 3.7156 3.7563 3.8657 3.8657 3.8693 3.9512 3.9512 3.9891 4.0281 4.0437 4.0437 4.2563 4.3311 4.3311 4.3426 4.4044 4.4044 4.6319 4.6451 4.6451 4.6822 4.6822 4.7045 5.9700 5.9787 5.9905 5.9905 6.0370 6.0370 7.7732 7.7732 7.7737 7.7752 8.1746 8.1746 8.4056 8.4138 8.4138 8.4145 10.4671 10.4671 11.2752 11.2753 k = 0.3627 0.3627 0.3627 ( 5920 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8615 -31.8615 -31.8615 -31.8615 -6.9015 -6.9015 -6.5682 -6.5682 -6.5655 -6.5625 -6.5203 -6.5203 0.8419 0.8419 0.8439 0.8526 1.0243 1.0243 1.6089 1.6089 2.0931 2.1185 2.1221 2.1221 2.2524 2.2601 2.2601 2.2606 2.3089 2.3089 2.6375 2.6375 2.8020 2.8203 2.8305 2.8305 3.7151 3.7151 3.7631 3.8695 3.8695 3.8772 3.9492 3.9492 3.9955 4.0288 4.0414 4.0414 4.2589 4.3325 4.3325 4.3437 4.3906 4.3906 4.6248 4.6306 4.6306 4.6702 4.6702 4.6942 6.0017 6.0094 6.0239 6.0239 6.0714 6.0714 7.7821 7.7821 7.7824 7.7839 8.2055 8.2055 8.4163 8.4248 8.4248 8.4254 10.4714 10.4714 11.1979 11.1988 k = 0.3725 0.3725 0.3725 ( 5926 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8615 -31.8615 -31.8615 -31.8615 -6.8794 -6.8794 -6.5742 -6.5742 -6.5714 -6.5685 -6.5274 -6.5274 0.8382 0.8382 0.8405 0.8487 0.9953 0.9953 1.5977 1.5977 2.1025 2.1284 2.1314 2.1314 2.2541 2.2613 2.2613 2.2639 2.3048 2.3048 2.6481 2.6481 2.7962 2.8132 2.8247 2.8247 3.7146 3.7146 3.7707 3.8733 3.8733 3.8851 3.9465 3.9465 4.0013 4.0288 4.0389 4.0389 4.2621 4.3324 4.3324 4.3448 4.3811 4.3811 4.6148 4.6148 4.6165 4.6583 4.6583 4.6823 6.0345 6.0412 6.0568 6.0568 6.1056 6.1056 7.7910 7.7910 7.7911 7.7926 8.2362 8.2362 8.4265 8.4352 8.4352 8.4356 10.4749 10.4749 11.1197 11.1212 k = 0.3824 0.3824 0.3824 ( 5929 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8615 -31.8615 -31.8615 -31.8615 -6.8580 -6.8580 -6.5798 -6.5798 -6.5769 -6.5742 -6.5345 -6.5345 0.8338 0.8338 0.8365 0.8442 0.9677 0.9677 1.5858 1.5858 2.1121 2.1387 2.1411 2.1411 2.2555 2.2617 2.2617 2.2672 2.3017 2.3017 2.6600 2.6600 2.7910 2.8066 2.8193 2.8193 3.7140 3.7140 3.7791 3.8771 3.8771 3.8931 3.9434 3.9434 4.0065 4.0281 4.0363 4.0363 4.2660 4.3308 4.3308 4.3460 4.3761 4.3761 4.5982 4.5982 4.6071 4.6462 4.6462 4.6691 6.0676 6.0734 6.0895 6.0895 6.1389 6.1389 7.7999 7.7999 7.7999 7.8013 8.2665 8.2665 8.4360 8.4447 8.4447 8.4449 10.4780 10.4780 11.0417 11.0438 k = 0.3922 0.3922 0.3922 ( 5926 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8616 -31.8616 -31.8616 -31.8616 -6.8374 -6.8374 -6.5850 -6.5850 -6.5819 -6.5795 -6.5417 -6.5417 0.8289 0.8289 0.8320 0.8392 0.9417 0.9417 1.5736 1.5736 2.1221 2.1493 2.1511 2.1511 2.2566 2.2613 2.2613 2.2702 2.2997 2.2997 2.6729 2.6729 2.7863 2.8004 2.8144 2.8144 3.7132 3.7132 3.7881 3.8809 3.8809 3.9008 3.9398 3.9398 4.0110 4.0269 4.0338 4.0338 4.2705 4.3282 4.3282 4.3473 4.3749 4.3749 4.5812 4.5812 4.5968 4.6337 4.6337 4.6548 6.1008 6.1058 6.1216 6.1216 6.1708 6.1708 7.8088 7.8090 7.8090 7.8102 8.2960 8.2960 8.4446 8.4533 8.4533 8.4533 10.4805 10.4805 10.9653 10.9679 k = 0.4020 0.4020 0.4020 ( 5938 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.8175 -6.8175 -6.5898 -6.5898 -6.5866 -6.5844 -6.5489 -6.5489 0.8238 0.8238 0.8273 0.8339 0.9175 0.9175 1.5614 1.5614 2.1322 2.1602 2.1611 2.1611 2.2573 2.2603 2.2603 2.2728 2.2985 2.2985 2.6862 2.6862 2.7820 2.7948 2.8100 2.8100 3.7122 3.7122 3.7977 3.8845 3.8845 3.9082 3.9357 3.9357 4.0149 4.0252 4.0314 4.0314 4.2758 4.3258 4.3258 4.3487 4.3764 4.3764 4.5640 4.5640 4.5860 4.6207 4.6207 4.6395 6.1334 6.1376 6.1528 6.1528 6.2012 6.2012 7.8178 7.8180 7.8180 7.8191 8.3243 8.3243 8.4523 8.4607 8.4608 8.4608 10.4827 10.4827 10.8917 10.8946 k = 0.4118 0.4118 0.4118 ( 5950 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7986 -6.7986 -6.5942 -6.5942 -6.5909 -6.5888 -6.5562 -6.5562 0.8187 0.8187 0.8225 0.8285 0.8951 0.8951 1.5496 1.5496 2.1423 2.1709 2.1709 2.1710 2.2574 2.2589 2.2589 2.2749 2.2978 2.2978 2.6996 2.6996 2.7783 2.7896 2.8061 2.8061 3.7109 3.7109 3.8079 3.8880 3.8880 3.9149 3.9314 3.9314 4.0182 4.0233 4.0292 4.0292 4.2817 4.3244 4.3244 4.3502 4.3796 4.3796 4.5470 4.5470 4.5748 4.6073 4.6073 4.6237 6.1649 6.1685 6.1826 6.1826 6.2296 6.2296 7.8269 7.8271 7.8271 7.8280 8.3513 8.3513 8.4589 8.4669 8.4672 8.4672 10.4846 10.4846 10.8218 10.8249 k = 0.4216 0.4216 0.4216 ( 5944 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7805 -6.7805 -6.5981 -6.5981 -6.5947 -6.5929 -6.5635 -6.5635 0.8136 0.8136 0.8178 0.8232 0.8748 0.8748 1.5383 1.5383 2.1524 2.1804 2.1804 2.1817 2.2571 2.2574 2.2574 2.2764 2.2973 2.2973 2.7127 2.7127 2.7751 2.7850 2.8028 2.8028 3.7096 3.7096 3.8185 3.8914 3.8914 3.9207 3.9270 3.9270 4.0209 4.0212 4.0273 4.0273 4.2884 4.3243 4.3243 4.3518 4.3840 4.3840 4.5302 4.5302 4.5637 4.5937 4.5937 4.6076 6.1949 6.1978 6.2106 6.2106 6.2561 6.2561 7.8358 7.8361 7.8361 7.8368 8.3765 8.3765 8.4645 8.4719 8.4724 8.4724 10.4862 10.4862 10.7566 10.7598 k = 0.4314 0.4314 0.4314 ( 5932 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7635 -6.7635 -6.6017 -6.6017 -6.5981 -6.5965 -6.5709 -6.5709 0.8087 0.8087 0.8134 0.8182 0.8566 0.8566 1.5278 1.5278 2.1624 2.1893 2.1893 2.1921 2.2560 2.2560 2.2562 2.2772 2.2967 2.2967 2.7249 2.7249 2.7724 2.7810 2.8001 2.8001 3.7080 3.7080 3.8295 3.8945 3.8945 3.9226 3.9226 3.9252 4.0194 4.0230 4.0258 4.0258 4.2958 4.3257 4.3257 4.3534 4.3893 4.3893 4.5140 4.5140 4.5528 4.5800 4.5800 4.5914 6.2228 6.2252 6.2362 6.2362 6.2804 6.2804 7.8446 7.8449 7.8449 7.8455 8.3997 8.3997 8.4689 8.4758 8.4765 8.4765 10.4876 10.4876 10.6970 10.7002 k = 0.4412 0.4412 0.4412 ( 5935 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7477 -6.7477 -6.6048 -6.6048 -6.6011 -6.5996 -6.5783 -6.5783 0.8041 0.8041 0.8093 0.8134 0.8407 0.8407 1.5184 1.5184 2.1721 2.1975 2.1975 2.2019 2.2548 2.2551 2.2551 2.2773 2.2959 2.2959 2.7360 2.7360 2.7702 2.7774 2.7980 2.7980 3.7064 3.7064 3.8406 3.8973 3.8973 3.9185 3.9185 3.9280 4.0179 4.0245 4.0246 4.0246 4.3037 4.3283 4.3283 4.3549 4.3952 4.3952 4.4983 4.4983 4.5424 4.5665 4.5665 4.5756 6.2481 6.2500 6.2591 6.2591 6.3022 6.3022 7.8530 7.8533 7.8533 7.8537 8.4205 8.4205 8.4724 8.4785 8.4796 8.4796 10.4888 10.4888 10.6438 10.6468 k = 0.4510 0.4510 0.4510 ( 5941 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7330 -6.7330 -6.6075 -6.6075 -6.6035 -6.6023 -6.5857 -6.5857 0.7999 0.7999 0.8057 0.8092 0.8272 0.8272 1.5101 1.5101 2.1814 2.2045 2.2045 2.2109 2.2530 2.2548 2.2548 2.2764 2.2948 2.2948 2.7456 2.7456 2.7684 2.7743 2.7966 2.7966 3.7047 3.7047 3.8519 3.8998 3.8998 3.9148 3.9148 3.9289 4.0170 4.0237 4.0237 4.0254 4.3120 4.3320 4.3320 4.3562 4.4017 4.4017 4.4836 4.4836 4.5329 4.5534 4.5534 4.5605 6.2704 6.2719 6.2788 6.2788 6.3214 6.3214 7.8608 7.8610 7.8610 7.8614 8.4386 8.4386 8.4750 8.4803 8.4817 8.4817 10.4898 10.4898 10.5976 10.6003 k = 0.4608 0.4608 0.4608 ( 5938 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7199 -6.7199 -6.6097 -6.6097 -6.6056 -6.6046 -6.5927 -6.5927 0.7962 0.7962 0.8027 0.8055 0.8162 0.8162 1.5032 1.5032 2.1903 2.2102 2.2102 2.2186 2.2513 2.2553 2.2553 2.2747 2.2933 2.2933 2.7535 2.7535 2.7671 2.7718 2.7959 2.7959 3.7031 3.7031 3.8631 3.9019 3.9019 3.9117 3.9117 3.9277 4.0170 4.0231 4.0231 4.0257 4.3205 4.3364 4.3364 4.3570 4.4084 4.4084 4.4702 4.4702 4.5247 4.5411 4.5411 4.5466 6.2892 6.2904 6.2951 6.2951 6.3377 6.3377 7.8677 7.8679 7.8679 7.8681 8.4538 8.4538 8.4769 8.4813 8.4831 8.4831 10.4907 10.4907 10.5590 10.5614 k = 0.4706 0.4706 0.4706 ( 5929 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7085 -6.7085 -6.6116 -6.6116 -6.6071 -6.6064 -6.5992 -6.5992 0.7930 0.7930 0.8004 0.8025 0.8078 0.8078 1.4976 1.4976 2.1987 2.2145 2.2145 2.2240 2.2505 2.2566 2.2566 2.2722 2.2917 2.2917 2.7593 2.7593 2.7662 2.7697 2.7959 2.7959 3.7018 3.7018 3.8741 3.9034 3.9034 3.9094 3.9094 3.9244 4.0177 4.0226 4.0226 4.0255 4.3290 4.3410 4.3410 4.3571 4.4151 4.4151 4.4583 4.4583 4.5182 4.5302 4.5302 4.5344 6.3043 6.3051 6.3079 6.3079 6.3508 6.3508 7.8734 7.8736 7.8736 7.8738 8.4658 8.4658 8.4782 8.4816 8.4840 8.4840 10.4912 10.4912 10.5286 10.5304 k = 0.4804 0.4804 0.4804 ( 5923 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8617 -31.8617 -6.6994 -6.6994 -6.6132 -6.6132 -6.6082 -6.6077 -6.6045 -6.6045 0.7904 0.7904 0.7988 0.8002 0.8021 0.8021 1.4936 1.4936 2.2065 2.2173 2.2173 2.2258 2.2519 2.2582 2.2582 2.2688 2.2900 2.2900 2.7632 2.7632 2.7657 2.7680 2.7963 2.7963 3.7007 3.7007 3.8848 3.9041 3.9041 3.9080 3.9080 3.9192 4.0190 4.0224 4.0224 4.0248 4.3369 4.3453 4.3453 4.3561 4.4214 4.4214 4.4484 4.4484 4.5138 4.5212 4.5212 4.5245 6.3153 6.3158 6.3171 6.3171 6.3604 6.3604 7.8778 7.8779 7.8779 7.8780 8.4744 8.4744 8.4792 8.4815 8.4846 8.4846 10.4913 10.4913 10.5067 10.5080 k = 0.4902 0.4902 0.4902 ( 5904 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8617 -31.8617 -6.6933 -6.6933 -6.6146 -6.6146 -6.6088 -6.6085 -6.6078 -6.6078 0.7885 0.7885 0.7980 0.7987 0.7989 0.7989 1.4912 1.4912 2.2135 2.2189 2.2189 2.2239 2.2555 2.2596 2.2596 2.2647 2.2888 2.2888 2.7654 2.7654 2.7657 2.7668 2.7968 2.7968 3.7001 3.7001 3.8949 3.9042 3.9042 3.9077 3.9077 3.9123 4.0206 4.0223 4.0223 4.0237 4.3439 4.3484 4.3484 4.3536 4.4267 4.4267 4.4411 4.4411 4.5120 4.5153 4.5153 4.5173 6.3221 6.3223 6.3226 6.3226 6.3663 6.3663 7.8805 7.8806 7.8806 7.8806 8.4792 8.4792 8.4799 8.4811 8.4853 8.4853 10.4904 10.4904 10.4936 10.4942 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8617 -31.8617 -6.6912 -6.6912 -6.6152 -6.6152 -6.6089 -6.6089 -6.6089 -6.6089 0.7878 0.7878 0.7979 0.7979 0.7979 0.7979 1.4904 1.4904 2.2194 2.2194 2.2194 2.2194 2.2602 2.2602 2.2602 2.2602 2.2883 2.2883 2.7661 2.7661 2.7661 2.7661 2.7970 2.7970 3.6998 3.6998 3.9041 3.9041 3.9041 3.9041 3.9077 3.9077 4.0222 4.0222 4.0222 4.0222 4.3495 4.3495 4.3495 4.3495 4.4294 4.4294 4.4377 4.4377 4.5131 4.5131 4.5131 4.5131 6.3244 6.3244 6.3244 6.3244 6.3682 6.3682 7.8815 7.8815 7.8815 7.8815 8.4806 8.4806 8.4806 8.4806 8.4857 8.4857 10.4894 10.4894 10.4894 10.4894 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8617 -31.8617 -6.6912 -6.6912 -6.6152 -6.6152 -6.6089 -6.6089 -6.6089 -6.6089 0.7878 0.7878 0.7979 0.7979 0.7979 0.7979 1.4904 1.4904 2.2194 2.2194 2.2194 2.2194 2.2602 2.2602 2.2602 2.2602 2.2883 2.2883 2.7661 2.7661 2.7661 2.7661 2.7970 2.7970 3.6998 3.6998 3.9041 3.9041 3.9041 3.9041 3.9077 3.9077 4.0222 4.0222 4.0222 4.0222 4.3495 4.3495 4.3495 4.3495 4.4294 4.4294 4.4377 4.4377 4.5131 4.5131 4.5131 4.5131 6.3244 6.3244 6.3244 6.3244 6.3682 6.3682 7.8815 7.8815 7.8815 7.8815 8.4806 8.4806 8.4806 8.4806 8.4857 8.4857 10.4894 10.4894 10.4894 10.4894 k = 0.4881 0.5000 0.4881 ( 5904 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8617 -31.8617 -6.6933 -6.6933 -6.6147 -6.6146 -6.6088 -6.6086 -6.6078 -6.6077 0.7885 0.7885 0.7980 0.7987 0.7988 0.7989 1.4912 1.4912 2.2137 2.2176 2.2203 2.2237 2.2557 2.2585 2.2608 2.2645 2.2887 2.2888 2.7653 2.7656 2.7657 2.7668 2.7968 2.7968 3.7001 3.7001 3.8953 3.9020 3.9061 3.9076 3.9080 3.9120 4.0207 4.0219 4.0227 4.0236 4.3439 4.3474 4.3495 4.3535 4.4266 4.4271 4.4406 4.4413 4.5120 4.5147 4.5156 4.5174 6.3219 6.3221 6.3228 6.3229 6.3663 6.3663 7.8800 7.8801 7.8811 7.8811 8.4790 8.4795 8.4800 8.4810 8.4852 8.4853 10.4907 10.4910 10.4931 10.4937 k = 0.4762 0.5000 0.4762 ( 5926 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8617 -31.8617 -6.6992 -6.6992 -6.6136 -6.6135 -6.6084 -6.6079 -6.6042 -6.6040 0.7904 0.7904 0.7991 0.8004 0.8015 0.8019 1.4936 1.4936 2.2069 2.2149 2.2196 2.2260 2.2514 2.2565 2.2602 2.2683 2.2899 2.2903 2.7632 2.7639 2.7655 2.7677 2.7962 2.7963 3.7007 3.7007 3.8856 3.9004 3.9059 3.9072 3.9104 3.9189 4.0191 4.0215 4.0231 4.0248 4.3362 4.3441 4.3468 4.3564 4.4215 4.4236 4.4457 4.4489 4.5136 4.5205 4.5209 4.5255 6.3145 6.3149 6.3180 6.3182 6.3606 6.3607 7.8758 7.8760 7.8799 7.8800 8.4739 8.4755 8.4792 8.4811 8.4842 8.4849 10.4938 10.4948 10.5028 10.5032 k = 0.4643 0.5000 0.4643 ( 5934 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8616 -31.8616 -6.7080 -6.7079 -6.6130 -6.6128 -6.6071 -6.6064 -6.5985 -6.5982 0.7930 0.7930 0.8013 0.8031 0.8064 0.8071 1.4975 1.4975 2.1993 2.2116 2.2169 2.2263 2.2471 2.2559 2.2584 2.2715 2.2916 2.2926 2.7597 2.7607 2.7656 2.7688 2.7957 2.7958 3.7017 3.7018 3.8754 3.8992 3.9048 3.9066 3.9135 3.9246 4.0178 4.0213 4.0235 4.0257 4.3268 4.3405 4.3419 4.3580 4.4169 4.4205 4.4512 4.4585 4.5180 4.5285 4.5297 4.5366 6.3022 6.3030 6.3100 6.3104 6.3514 6.3517 7.8691 7.8694 7.8780 7.8782 8.4652 8.4680 8.4782 8.4805 8.4836 8.4845 10.4979 10.4996 10.5166 10.5167 k = 0.4524 0.5000 0.4524 ( 5938 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7189 -6.7188 -6.6128 -6.6126 -6.6049 -6.6041 -6.5915 -6.5911 0.7958 0.7962 0.8049 0.8070 0.8135 0.8145 1.5030 1.5030 2.1910 2.2075 2.2115 2.2252 2.2420 2.2558 2.2573 2.2741 2.2936 2.2954 2.7546 2.7560 2.7657 2.7700 2.7956 2.7958 3.7029 3.7033 3.8648 3.8985 3.9033 3.9059 3.9165 3.9296 4.0169 4.0212 4.0238 4.0265 4.3165 4.3359 4.3365 4.3580 4.4141 4.4186 4.4566 4.4690 4.5252 4.5387 4.5409 4.5496 6.2851 6.2863 6.2987 6.2994 6.3391 6.3397 7.8603 7.8607 7.8755 7.8757 8.4533 8.4570 8.4768 8.4792 8.4831 8.4838 10.5034 10.5057 10.5350 10.5355 k = 0.4405 0.5000 0.4405 ( 5936 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7313 -6.7311 -6.6131 -6.6129 -6.6019 -6.6009 -6.5838 -6.5832 0.7987 0.7995 0.8101 0.8123 0.8230 0.8242 1.5098 1.5099 2.1821 2.2029 2.2040 2.2235 2.2358 2.2524 2.2601 2.2763 2.2956 2.2982 2.7476 2.7496 2.7659 2.7711 2.7963 2.7965 3.7044 3.7050 3.8540 3.8980 3.9014 3.9053 3.9185 3.9343 4.0167 4.0212 4.0238 4.0272 4.3059 4.3294 4.3325 4.3561 4.4136 4.4182 4.4618 4.4798 4.5349 4.5514 4.5535 4.5637 6.2635 6.2650 6.2843 6.2852 6.3242 6.3253 7.8498 7.8504 7.8722 7.8724 8.4383 8.4429 8.4748 8.4773 8.4821 8.4826 10.5105 10.5134 10.5586 10.5593 k = 0.4286 0.5000 0.4286 ( 5928 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7448 -6.7446 -6.6136 -6.6134 -6.5980 -6.5969 -6.5757 -6.5751 0.8015 0.8029 0.8167 0.8188 0.8346 0.8360 1.5181 1.5182 2.1727 2.1951 2.1978 2.2210 2.2291 2.2484 2.2635 2.2781 2.2977 2.3009 2.7390 2.7413 2.7660 2.7720 2.7982 2.7983 3.7059 3.7068 3.8432 3.8972 3.8991 3.9052 3.9189 3.9394 4.0172 4.0214 4.0235 4.0280 4.2955 4.3230 4.3286 4.3527 4.4153 4.4194 4.4670 4.4907 4.5466 4.5666 4.5668 4.5782 6.2376 6.2395 6.2667 6.2679 6.3071 6.3086 7.8380 7.8389 7.8682 7.8684 8.4206 8.4260 8.4721 8.4746 8.4803 8.4806 10.5194 10.5228 10.5871 10.5880 k = 0.4167 0.5000 0.4167 ( 5940 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7593 -6.7590 -6.6145 -6.6143 -6.5933 -6.5922 -6.5674 -6.5667 0.8045 0.8065 0.8243 0.8264 0.8482 0.8498 1.5275 1.5277 2.1629 2.1853 2.1921 2.2169 2.2227 2.2439 2.2671 2.2796 2.2998 2.3035 2.7285 2.7312 2.7662 2.7728 2.8011 2.8012 3.7072 3.7083 3.8327 3.8959 3.8964 3.9060 3.9176 3.9451 4.0180 4.0219 4.0228 4.0289 4.2856 4.3168 4.3251 4.3486 4.4185 4.4217 4.4725 4.5016 4.5595 4.5807 4.5837 4.5927 6.2080 6.2103 6.2462 6.2475 6.2880 6.2898 7.8254 7.8267 7.8635 7.8636 8.4004 8.4064 8.4684 8.4711 8.4775 8.4776 10.5301 10.5340 10.6204 10.6214 k = 0.4048 0.5000 0.4048 ( 5944 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7745 -6.7742 -6.6156 -6.6155 -6.5880 -6.5867 -6.5590 -6.5582 0.8077 0.8103 0.8330 0.8352 0.8637 0.8654 1.5380 1.5384 2.1527 2.1748 2.1859 2.2097 2.2181 2.2388 2.2707 2.2809 2.3020 2.3060 2.7165 2.7195 2.7666 2.7738 2.8050 2.8054 3.7083 3.7093 3.8229 3.8933 3.8940 3.9074 3.9150 3.9513 4.0188 4.0218 4.0229 4.0299 4.2764 4.3113 4.3222 4.3445 4.4224 4.4247 4.4788 4.5126 4.5726 4.5953 4.6018 4.6076 6.1753 6.1779 6.2230 6.2245 6.2669 6.2690 7.8125 7.8141 7.8582 7.8582 8.3780 8.3846 8.4637 8.4665 8.4735 8.4735 10.5427 10.5470 10.6583 10.6594 k = 0.3929 0.5000 0.3929 ( 5956 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8616 -31.8616 -6.7904 -6.7900 -6.6170 -6.6169 -6.5821 -6.5807 -6.5506 -6.5497 0.8110 0.8141 0.8426 0.8448 0.8809 0.8828 1.5494 1.5500 2.1422 2.1639 2.1792 2.2007 2.2144 2.2334 2.2741 2.2820 2.3044 2.3085 2.7030 2.7062 2.7673 2.7752 2.8098 2.8104 3.7089 3.7094 3.8140 3.8896 3.8918 3.9095 3.9118 3.9577 4.0194 4.0206 4.0246 4.0310 4.2681 4.3066 4.3202 4.3409 4.4265 4.4280 4.4862 4.5239 4.5850 4.6108 4.6172 4.6258 6.1402 6.1430 6.1976 6.1992 6.2440 6.2462 7.7994 7.8014 7.8520 7.8522 8.3537 8.3607 8.4578 8.4609 8.4682 8.4683 10.5572 10.5619 10.7005 10.7016 k = 0.3810 0.5000 0.3810 ( 5948 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8616 -31.8616 -31.8615 -31.8615 -6.8068 -6.8064 -6.6188 -6.6187 -6.5755 -6.5740 -6.5420 -6.5412 0.8144 0.8180 0.8530 0.8552 0.8997 0.9016 1.5616 1.5624 2.1317 2.1528 2.1722 2.1910 2.2106 2.2276 2.2772 2.2831 2.3072 2.3111 2.6882 2.6915 2.7687 2.7771 2.8155 2.8163 3.7082 3.7088 3.8065 3.8853 3.8894 3.9089 3.9121 3.9643 4.0193 4.0197 4.0267 4.0321 4.2609 4.3029 4.3194 4.3381 4.4305 4.4313 4.4950 4.5356 4.5959 4.6276 4.6293 4.6472 6.1035 6.1062 6.1703 6.1719 6.2192 6.2214 7.7865 7.7890 7.8451 7.8456 8.3280 8.3352 8.4507 8.4541 8.4617 8.4617 10.5736 10.5787 10.7468 10.7480 k = 0.3690 0.5000 0.3690 ( 5940 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8616 -31.8616 -31.8615 -31.8615 -6.8236 -6.8232 -6.6209 -6.6209 -6.5683 -6.5667 -6.5335 -6.5325 0.8178 0.8219 0.8640 0.8664 0.9200 0.9219 1.5743 1.5753 2.1210 2.1416 2.1648 2.1807 2.2066 2.2216 2.2800 2.2841 2.3106 2.3140 2.6723 2.6757 2.7708 2.7798 2.8219 2.8229 3.7052 3.7079 3.8008 3.8801 3.8867 3.9067 3.9149 3.9706 4.0180 4.0199 4.0291 4.0332 4.2550 4.3002 4.3198 4.3362 4.4341 4.4342 4.5051 4.5479 4.6049 4.6395 4.6455 4.6701 6.0657 6.0682 6.1415 6.1431 6.1926 6.1946 7.7740 7.7769 7.8375 7.8383 8.3012 8.3084 8.4423 8.4459 8.4538 8.4539 10.5917 10.5971 10.7971 10.7982 k = 0.3571 0.5000 0.3571 ( 5936 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8616 -31.8616 -31.8615 -31.8615 -6.8409 -6.8404 -6.6234 -6.6234 -6.5605 -6.5588 -6.5248 -6.5238 0.8211 0.8257 0.8755 0.8780 0.9414 0.9432 1.5873 1.5886 2.1103 2.1303 2.1571 2.1701 2.2023 2.2154 2.2825 2.2852 2.3146 2.3172 2.6553 2.6588 2.7737 2.7832 2.8290 2.8300 3.7005 3.7060 3.7968 3.8744 3.8840 3.9057 3.9178 3.9764 4.0169 4.0200 4.0314 4.0345 4.2503 4.2987 4.3215 4.3353 4.4369 4.4371 4.5163 4.5606 4.6119 4.6479 4.6643 4.6937 6.0274 6.0295 6.1116 6.1130 6.1644 6.1659 7.7619 7.7653 7.8290 7.8303 8.2736 8.2807 8.4326 8.4363 8.4447 8.4449 10.6115 10.6171 10.8509 10.8521 k = 0.3452 0.5000 0.3452 ( 5936 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8616 -31.8616 -31.8615 -31.8615 -6.8584 -6.8579 -6.6262 -6.6262 -6.5522 -6.5505 -6.5161 -6.5150 0.8242 0.8293 0.8875 0.8901 0.9638 0.9656 1.6003 1.6021 2.0997 2.1191 2.1492 2.1593 2.1979 2.2090 2.2849 2.2865 2.3193 2.3208 2.6376 2.6409 2.7777 2.7876 2.8367 2.8377 3.6941 3.7030 3.7944 3.8682 3.8812 3.9058 3.9205 3.9816 4.0159 4.0201 4.0336 4.0357 4.2469 4.2983 4.3244 4.3355 4.4393 4.4395 4.5285 4.5738 4.6169 4.6542 4.6838 4.7180 5.9892 5.9906 6.0810 6.0821 6.1346 6.1354 7.7505 7.7544 7.8197 7.8216 8.2458 8.2526 8.4216 8.4253 8.4342 8.4347 10.6327 10.6385 10.9081 10.9092 k = 0.3333 0.5000 0.3333 ( 5944 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8616 -31.8616 -31.8615 -31.8615 -6.8761 -6.8756 -6.6294 -6.6294 -6.5435 -6.5416 -6.5072 -6.5062 0.8270 0.8325 0.8998 0.9025 0.9871 0.9887 1.6132 1.6153 2.0893 2.1080 2.1412 2.1484 2.1932 2.2026 2.2874 2.2884 2.3246 2.3249 2.6192 2.6224 2.7827 2.7929 2.8451 2.8460 3.6863 3.6989 3.7933 3.8618 3.8783 3.9071 3.9228 3.9859 4.0153 4.0201 4.0356 4.0371 4.2448 4.2991 4.3285 4.3367 4.4411 4.4416 4.5411 4.5875 4.6201 4.6583 4.7038 4.7427 5.9516 5.9521 6.0499 6.0506 6.1032 6.1036 7.7397 7.7440 7.8095 7.8122 8.2182 8.2243 8.4095 8.4129 8.4225 8.4235 10.6552 10.6611 10.9683 10.9695 k = 0.3214 0.5000 0.3214 ( 5936 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8616 -31.8616 -31.8614 -31.8614 -6.8940 -6.8935 -6.6330 -6.6330 -6.5343 -6.5324 -6.4983 -6.4972 0.8294 0.8353 0.9121 0.9150 1.0110 1.0124 1.6256 1.6283 2.0791 2.0973 2.1331 2.1376 2.1884 2.1961 2.2904 2.2909 2.3295 2.3306 2.6003 2.6032 2.7889 2.7992 2.8540 2.8547 3.6777 3.6938 3.7931 3.8555 3.8755 3.9097 3.9246 3.9893 4.0152 4.0201 4.0375 4.0388 4.2441 4.3011 4.3335 4.3392 4.4420 4.4440 4.5536 4.6015 4.6219 4.6603 4.7240 4.7676 5.9141 5.9150 6.0188 6.0189 6.0697 6.0718 7.7296 7.7344 7.7982 7.8018 8.1912 8.1963 8.3961 8.3991 8.4097 8.4115 10.6786 10.6846 11.0314 11.0325 k = 0.3095 0.5000 0.3095 ( 5932 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8616 -31.8616 -31.8614 -31.8614 -6.9120 -6.9114 -6.6369 -6.6369 -6.5247 -6.5227 -6.4893 -6.4882 0.8313 0.8376 0.9245 0.9275 1.0353 1.0364 1.6373 1.6406 2.0693 2.0869 2.1252 2.1271 2.1835 2.1897 2.2940 2.2944 2.3346 2.3370 2.5811 2.5837 2.7964 2.8066 2.8634 2.8639 3.6685 3.6877 3.7933 3.8494 3.8727 3.9133 3.9254 3.9916 4.0156 4.0198 4.0393 4.0408 4.2448 4.3041 4.3391 4.3428 4.4420 4.4466 4.5648 4.6158 4.6235 4.6602 4.7445 4.7928 5.8767 5.8793 5.9871 5.9882 6.0350 6.0395 7.7201 7.7254 7.7858 7.7905 8.1652 8.1692 8.3816 8.3840 8.3960 8.3987 10.7027 10.7086 11.0969 11.0980 k = 0.2976 0.5000 0.2976 ( 5932 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8616 -31.8616 -31.8614 -31.8614 -6.9299 -6.9294 -6.6410 -6.6410 -6.5148 -6.5128 -6.4802 -6.4791 0.8325 0.8392 0.9368 0.9399 1.0597 1.0606 1.6481 1.6520 2.0598 2.0769 2.1169 2.1174 2.1785 2.1833 2.2984 2.2990 2.3402 2.3438 2.5618 2.5640 2.8051 2.8151 2.8734 2.8735 3.6592 3.6809 3.7936 3.8434 3.8699 3.9180 3.9252 3.9929 4.0163 4.0192 4.0410 4.0435 4.2466 4.3078 4.3448 4.3477 4.4411 4.4496 4.5722 4.6272 4.6292 4.6589 4.7649 4.8179 5.8398 5.8447 5.9556 5.9581 5.9997 6.0073 7.7114 7.7171 7.7721 7.7781 8.1408 8.1433 8.3659 8.3677 8.3817 8.3853 10.7271 10.7330 11.1646 11.1658 k = 0.2857 0.5000 0.2857 ( 5944 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8615 -31.8615 -31.8613 -31.8613 -6.9478 -6.9473 -6.6455 -6.6455 -6.5046 -6.5025 -6.4711 -6.4699 0.8331 0.8401 0.9488 0.9520 1.0841 1.0846 1.6579 1.6624 2.0510 2.0675 2.1072 2.1098 2.1734 2.1770 2.3038 2.3047 2.3463 2.3510 2.5426 2.5442 2.8151 2.8246 2.8836 2.8839 3.6499 3.6733 3.7938 3.8375 3.8671 3.9235 3.9238 3.9932 4.0173 4.0181 4.0428 4.0470 4.2496 4.3121 4.3501 4.3537 4.4393 4.4530 4.5735 4.6357 4.6376 4.6607 4.7853 4.8428 5.8032 5.8109 5.9248 5.9290 5.9642 5.9759 7.7033 7.7094 7.7569 7.7644 8.1182 8.1191 8.3491 8.3502 8.3670 8.3714 10.7516 10.7575 11.2342 11.2354 k = 0.2738 0.5000 0.2738 ( 5942 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8615 -31.8615 -31.8613 -31.8613 -6.9656 -6.9650 -6.6502 -6.6502 -6.4941 -6.4920 -6.4619 -6.4607 0.8329 0.8401 0.9604 0.9637 1.1083 1.1084 1.6665 1.6717 2.0427 2.0588 2.0981 2.1027 2.1684 2.1709 2.3102 2.3116 2.3529 2.3586 2.5235 2.5245 2.8265 2.8354 2.8942 2.8949 3.6410 3.6654 3.7938 3.8320 3.8644 3.9214 3.9298 3.9925 4.0168 4.0184 4.0448 4.0515 4.2536 4.3168 4.3544 4.3610 4.4366 4.4570 4.5685 4.6350 4.6495 4.6719 4.8055 4.8676 5.7664 5.7773 5.8949 5.9011 5.9296 5.9459 7.6959 7.7023 7.7404 7.7494 8.0969 8.0978 8.3311 8.3318 8.3521 8.3572 10.7759 10.7816 11.3052 11.3066 k = 0.2619 0.5000 0.2619 ( 5954 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8615 -31.8615 -31.8613 -31.8613 -6.9832 -6.9826 -6.6552 -6.6551 -6.4835 -6.4813 -6.4527 -6.4515 0.8318 0.8393 0.9716 0.9749 1.1317 1.1320 1.6739 1.6797 2.0352 2.0508 2.0897 2.0960 2.1633 2.1650 2.3176 2.3197 2.3600 2.3666 2.5049 2.5052 2.8392 2.8473 2.9052 2.9064 3.6324 3.6573 3.7934 3.8266 3.8619 3.9178 3.9367 3.9907 4.0152 4.0192 4.0469 4.0570 4.2586 4.3217 4.3573 4.3693 4.4329 4.4615 4.5591 4.6259 4.6672 4.6880 4.8254 4.8919 5.7286 5.7434 5.8665 5.8742 5.8968 5.9179 7.6891 7.6958 7.7224 7.7329 8.0771 8.0799 8.3123 8.3126 8.3371 8.3429 10.7997 10.8051 11.3775 11.3790 k = 0.2500 0.5000 0.2500 ( 5940 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8615 -31.8615 -31.8612 -31.8612 -7.0005 -6.9999 -6.6603 -6.6602 -6.4727 -6.4706 -6.4435 -6.4423 0.8299 0.8375 0.9821 0.9854 1.1542 1.1550 1.6800 1.6864 2.0285 2.0438 2.0821 2.0899 2.1584 2.1592 2.3258 2.3289 2.3677 2.3748 2.4862 2.4870 2.8533 2.8604 2.9167 2.9184 3.6244 3.6490 3.7925 3.8215 3.8595 3.9134 3.9441 3.9878 4.0138 4.0200 4.0493 4.0635 4.2643 4.3267 4.3585 4.3785 4.4285 4.4660 4.5472 4.6139 4.6878 4.7059 4.8449 4.9158 5.6894 5.7082 5.8400 5.8477 5.8680 5.8924 7.6828 7.6899 7.7030 7.7150 8.0598 8.0646 8.2927 8.2928 8.3222 8.3285 10.8226 10.8277 11.4505 11.4523 k = 0.2381 0.5000 0.2381 ( 5950 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8615 -31.8615 -31.8612 -31.8612 -7.0174 -7.0168 -6.6655 -6.6655 -6.4619 -6.4597 -6.4344 -6.4332 0.8270 0.8348 0.9919 0.9953 1.1758 1.1771 1.6848 1.6918 2.0228 2.0377 2.0754 2.0844 2.1535 2.1536 2.3347 2.3388 2.3758 2.3832 2.4679 2.4698 2.8688 2.8747 2.9287 2.9310 3.6169 3.6408 3.7911 3.8165 3.8572 3.9083 3.9517 3.9838 4.0124 4.0206 4.0518 4.0707 4.2706 4.3316 4.3579 4.3878 4.4238 4.4695 4.5345 4.5998 4.7104 4.7249 4.8639 4.9390 5.6484 5.6712 5.8156 5.8209 5.8446 5.8698 7.6770 7.6817 7.6852 7.6959 8.0452 8.0518 8.2726 8.2726 8.3074 8.3141 10.8444 10.8493 11.5238 11.5259 k = 0.2262 0.5000 0.2262 ( 5950 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8612 -31.8612 -7.0339 -7.0334 -6.6708 -6.6708 -6.4511 -6.4489 -6.4254 -6.4242 0.8233 0.8311 1.0009 1.0043 1.1964 1.1982 1.6885 1.6959 2.0181 2.0328 2.0696 2.0796 2.1483 2.1487 2.3438 2.3493 2.3844 2.3918 2.4503 2.4538 2.8856 2.8902 2.9412 2.9441 3.6101 3.6326 3.7890 3.8117 3.8552 3.9026 3.9594 3.9787 4.0113 4.0211 4.0545 4.0783 4.2772 4.3364 4.3556 4.3957 4.4203 4.4701 4.5234 4.5841 4.7348 4.7448 4.8823 4.9614 5.6055 5.6320 5.7936 5.7949 5.8260 5.8502 7.6606 7.6704 7.6768 7.6798 8.0331 8.0415 8.2523 8.2523 8.2929 8.2999 10.8650 10.8694 11.5971 11.5996 k = 0.2143 0.5000 0.2143 ( 5954 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8612 -31.8612 -7.0500 -7.0495 -6.6762 -6.6762 -6.4403 -6.4382 -6.4164 -6.4152 0.8186 0.8265 1.0091 1.0125 1.2157 1.2180 1.6910 1.6988 2.0146 2.0291 2.0647 2.0754 2.1431 2.1440 2.3528 2.3601 2.3934 2.4004 2.4336 2.4394 2.9036 2.9069 2.9542 2.9578 3.6039 3.6247 3.7863 3.8071 3.8535 3.8967 3.9669 3.9729 4.0106 4.0216 4.0572 4.0861 4.2837 4.3407 4.3517 4.3976 4.4225 4.4652 4.5171 4.5674 4.7607 4.7655 4.9001 4.9828 5.5610 5.5906 5.7709 5.7741 5.8114 5.8337 7.6384 7.6528 7.6684 7.6754 8.0235 8.0333 8.2320 8.2321 8.2788 8.2859 10.8839 10.8879 11.6699 11.6728 k = 0.2024 0.5000 0.2024 ( 5950 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8611 -31.8611 -7.0656 -7.0650 -6.6816 -6.6815 -6.4296 -6.4275 -6.4077 -6.4065 0.8132 0.8209 1.0165 1.0197 1.2336 1.2363 1.6926 1.7006 2.0124 2.0266 2.0607 2.0720 2.1383 2.1394 2.3606 2.3709 2.4027 2.4085 2.4181 2.4278 2.9228 2.9246 2.9678 2.9722 3.5983 3.6169 3.7828 3.8027 3.8522 3.8908 3.9655 3.9752 4.0102 4.0220 4.0602 4.0939 4.2895 4.3443 4.3463 4.3926 4.4313 4.4546 4.5167 4.5502 4.7867 4.7875 4.9171 5.0031 5.5150 5.5474 5.7496 5.7569 5.7999 5.8202 7.6157 7.6310 7.6640 7.6713 8.0158 8.0270 8.2122 8.2125 8.2651 8.2723 10.9012 10.9047 11.7416 11.7450 k = 0.1905 0.5000 0.1905 ( 5952 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8615 -31.8611 -31.8611 -7.0806 -7.0800 -6.6869 -6.6868 -6.4191 -6.4171 -6.3991 -6.3980 0.8070 0.8146 1.0229 1.0261 1.2501 1.2532 1.6933 1.7014 2.0114 2.0255 2.0576 2.0692 2.1336 2.1350 2.3657 2.3809 2.4030 2.4127 2.4134 2.4238 2.9431 2.9434 2.9820 2.9871 3.5932 3.6093 3.7787 3.7983 3.8511 3.8850 3.9583 3.9823 4.0102 4.0225 4.0632 4.1013 4.2937 4.3397 4.3466 4.3852 4.4417 4.4426 4.5198 4.5332 4.8083 4.8149 4.9332 5.0218 5.4680 5.5028 5.7311 5.7423 5.7911 5.8093 7.5930 7.6086 7.6603 7.6677 8.0099 8.0221 8.1932 8.1937 8.2519 8.2591 10.9166 10.9196 11.8118 11.8154 k = 0.1786 0.5000 0.1786 ( 5948 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8615 -31.8614 -31.8611 -31.8611 -7.0949 -7.0944 -6.6921 -6.6921 -6.4089 -6.4069 -6.3908 -6.3897 0.8001 0.8076 1.0284 1.0315 1.2650 1.2685 1.6933 1.7013 2.0118 2.0258 2.0553 2.0670 2.1293 2.1308 2.3660 2.3843 2.3965 2.4123 2.4230 2.4301 2.9631 2.9642 2.9967 3.0026 3.5884 3.6019 3.7739 3.7942 3.8504 3.8797 3.9507 3.9891 4.0107 4.0230 4.0660 4.1081 4.2952 4.3315 4.3466 4.3776 4.4301 4.4546 4.5174 4.5247 4.8301 4.8422 4.9484 5.0390 5.4204 5.4574 5.7158 5.7305 5.7845 5.8007 7.5705 7.5861 7.6570 7.6644 8.0051 8.0181 8.1754 8.1762 8.2392 8.2464 10.9300 10.9324 11.8799 11.8802 k = 0.1667 0.5000 0.1667 ( 5930 PWs) bands (ev): -58.2521 -58.2521 -32.6857 -32.6857 -31.8614 -31.8614 -31.8610 -31.8610 -7.1086 -7.1081 -6.6972 -6.6972 -6.3989 -6.3970 -6.3827 -6.3817 0.7928 0.8000 1.0331 1.0361 1.2784 1.2821 1.6925 1.7004 2.0136 2.0275 2.0538 2.0654 2.1252 2.1268 2.3612 2.3740 2.4042 2.4154 2.4328 2.4385 2.9836 2.9860 3.0120 3.0188 3.5840 3.5947 3.7686 3.7901 3.8501 3.8750 3.9430 3.9951 4.0119 4.0237 4.0686 4.1141 4.2931 4.3215 4.3430 4.3709 4.4226 4.4663 4.5044 4.5304 4.8517 4.8690 4.9626 5.0540 5.3726 5.4115 5.7037 5.7215 5.7798 5.7942 7.5485 7.5639 7.6542 7.6615 8.0009 8.0144 8.1594 8.1604 8.2272 8.2343 10.9413 10.9432 11.8425 11.8579 k = 0.1548 0.5000 0.1548 ( 5946 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8610 -31.8610 -7.1215 -7.1211 -6.7022 -6.7021 -6.3893 -6.3875 -6.3750 -6.3740 0.7850 0.7919 1.0370 1.0398 1.2901 1.2941 1.6912 1.6988 2.0166 2.0304 2.0530 2.0643 2.1213 2.1229 2.3536 2.3626 2.4134 2.4213 2.4425 2.4471 3.0047 3.0082 3.0278 3.0355 3.5795 3.5875 3.7631 3.7862 3.8500 3.8712 3.9352 4.0000 4.0141 4.0244 4.0706 4.1189 4.2873 4.3088 4.3356 4.3645 4.4209 4.4748 4.4980 4.5365 4.8728 4.8946 4.9756 5.0668 5.3250 5.3655 5.6950 5.7156 5.7766 5.7892 7.5272 7.5422 7.6517 7.6589 7.9966 8.0104 8.1458 8.1470 8.2159 8.2227 10.9504 10.9517 11.7688 11.7836 k = 0.1429 0.5000 0.1429 ( 5938 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8610 -31.8610 -7.1337 -7.1332 -6.7069 -6.7069 -6.3802 -6.3784 -6.3677 -6.3667 0.7770 0.7835 1.0401 1.0428 1.3005 1.3046 1.6895 1.6967 2.0208 2.0344 2.0529 2.0637 2.1178 2.1193 2.3452 2.3519 2.4225 2.4284 2.4517 2.4554 3.0261 3.0306 3.0441 3.0528 3.5748 3.5803 3.7577 3.7824 3.8500 3.8684 3.9276 4.0036 4.0176 4.0253 4.0718 4.1224 4.2786 4.2938 4.3257 4.3567 4.4247 4.4761 4.5034 4.5430 4.8933 4.9185 4.9875 5.0770 5.2780 5.3200 5.6897 5.7128 5.7748 5.7856 7.5067 7.5212 7.6496 7.6565 7.9917 8.0053 8.1352 8.1363 8.2053 8.2119 10.9572 10.9580 11.6959 11.7106 k = 0.1310 0.5000 0.1310 ( 5942 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8610 -31.8610 -7.1451 -7.1446 -6.7114 -6.7114 -6.3715 -6.3699 -6.3608 -6.3599 0.7689 0.7751 1.0426 1.0451 1.3093 1.3134 1.6873 1.6940 2.0261 2.0394 2.0533 2.0634 2.1146 2.1158 2.3368 2.3421 2.4311 2.4356 2.4604 2.4634 3.0477 3.0528 3.0609 3.0706 3.5697 3.5729 3.7526 3.7787 3.8499 3.8669 3.9204 4.0062 4.0221 4.0264 4.0719 4.1243 4.2674 4.2779 4.3146 4.3460 4.4329 4.4760 4.5152 4.5496 4.9128 4.9403 4.9979 5.0844 5.2322 5.2752 5.6879 5.7131 5.7739 5.7831 7.4874 7.5011 7.6478 7.6544 7.9857 7.9987 8.1279 8.1287 8.1955 8.2017 10.9618 10.9620 11.6251 11.6398 k = 0.1190 0.5000 0.1190 ( 5948 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8609 -31.8609 -7.1555 -7.1551 -6.7156 -6.7156 -6.3634 -6.3618 -6.3543 -6.3535 0.7609 0.7666 1.0444 1.0467 1.3169 1.3209 1.6850 1.6911 2.0322 2.0449 2.0544 2.0635 2.1116 2.1126 2.3288 2.3332 2.4392 2.4427 2.4684 2.4709 3.0692 3.0745 3.0780 3.0888 3.5640 3.5653 3.7483 3.7751 3.8498 3.8667 3.9136 4.0081 4.0269 4.0277 4.0705 4.1246 4.2531 4.2638 4.3032 4.3323 4.4441 4.4788 4.5286 4.5563 4.9312 4.9597 5.0071 5.0887 5.1880 5.2316 5.6894 5.7162 5.7738 5.7813 7.4693 7.4821 7.6463 7.6525 7.9785 7.9905 8.1239 8.1242 8.1864 8.1923 10.9637 10.9640 11.5577 11.5722 k = 0.1071 0.5000 0.1071 ( 5944 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8609 -31.8609 -7.1651 -7.1648 -6.7195 -6.7195 -6.3558 -6.3544 -6.3483 -6.3476 0.7532 0.7584 1.0457 1.0478 1.3232 1.3270 1.6825 1.6880 2.0389 2.0502 2.0567 2.0638 2.1091 2.1097 2.3214 2.3252 2.4467 2.4493 2.4757 2.4778 3.0902 3.0953 3.0955 3.1072 3.5574 3.5575 3.7451 3.7718 3.8496 3.8679 3.9073 4.0098 4.0292 4.0317 4.0677 4.1231 4.2362 4.2528 4.2918 4.3166 4.4575 4.4848 4.5424 4.5630 4.9482 4.9765 5.0148 5.0893 5.1468 5.1896 5.6940 5.7219 5.7744 5.7802 7.4527 7.4645 7.6450 7.6508 7.9702 7.9810 8.1225 8.1227 8.1783 8.1836 10.9630 10.9639 11.4946 11.5088 k = 0.0952 0.5000 0.0952 ( 5948 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8609 -31.8609 -7.1738 -7.1735 -6.7231 -6.7231 -6.3489 -6.3476 -6.3428 -6.3422 0.7458 0.7505 1.0466 1.0485 1.3284 1.3320 1.6799 1.6848 2.0460 2.0537 2.0612 2.0643 2.1068 2.1071 2.3146 2.3179 2.4536 2.4554 2.4823 2.4841 3.1103 3.1129 3.1154 3.1254 3.5494 3.5500 3.7430 3.7686 3.8498 3.8703 3.9017 4.0111 4.0311 4.0359 4.0638 4.1199 4.2189 4.2438 4.2804 4.3000 4.4723 4.4932 4.5561 4.5694 4.9637 4.9905 5.0210 5.0823 5.1130 5.1496 5.7012 5.7295 5.7754 5.7795 7.4374 7.4482 7.6440 7.6493 7.9614 7.9709 8.1231 8.1237 8.1710 8.1758 10.9602 10.9614 11.4370 11.4506 k = 0.0833 0.5000 0.0833 ( 5956 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8609 -31.8609 -7.1815 -7.1812 -6.7263 -6.7263 -6.3427 -6.3415 -6.3379 -6.3373 0.7389 0.7431 1.0471 1.0488 1.3326 1.3359 1.6774 1.6817 2.0531 2.0559 2.0649 2.0671 2.1048 2.1049 2.3084 2.3114 2.4597 2.4609 2.4881 2.4897 3.1288 3.1307 3.1341 3.1430 3.5410 3.5418 3.7421 3.7657 3.8504 3.8737 3.8966 4.0113 4.0332 4.0383 4.0605 4.1151 4.2022 4.2368 4.2684 4.2840 4.4882 4.5032 4.5693 4.5754 4.9775 5.0015 5.0258 5.0577 5.0976 5.1122 5.7103 5.7384 5.7769 5.7792 7.4238 7.4334 7.6432 7.6480 7.9523 7.9606 8.1253 8.1261 8.1646 8.1688 10.9552 10.9567 11.3858 11.3986 k = 0.0714 0.5000 0.0714 ( 5950 PWs) bands (ev): -58.2521 -58.2521 -32.6856 -32.6856 -31.8614 -31.8614 -31.8609 -31.8609 -7.1883 -7.1880 -6.7292 -6.7292 -6.3372 -6.3362 -6.3336 -6.3331 0.7327 0.7363 1.0475 1.0489 1.3361 1.3390 1.6751 1.6787 2.0577 2.0597 2.0659 2.0732 2.1030 2.1035 2.3029 2.3056 2.4651 2.4657 2.4931 2.4946 3.1456 3.1482 3.1516 3.1593 3.5325 3.5331 3.7423 3.7631 3.8516 3.8783 3.8921 4.0089 4.0358 4.0384 4.0603 4.1090 4.1868 4.2318 4.2542 4.2710 4.5048 4.5142 4.5806 4.5816 4.9885 5.0091 5.0274 5.0293 5.0789 5.0908 5.7206 5.7478 5.7786 5.7791 7.4119 7.4202 7.6426 7.6468 7.9437 7.9507 8.1285 8.1293 8.1591 8.1626 10.9485 10.9501 11.3418 11.3533 k = 0.0595 0.5000 0.0595 ( 5934 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8609 -31.8609 -7.1940 -7.1938 -6.7316 -6.7316 -6.3325 -6.3316 -6.3299 -6.3295 0.7273 0.7303 1.0476 1.0488 1.3388 1.3413 1.6731 1.6761 2.0593 2.0640 2.0686 2.0785 2.1018 2.1026 2.2982 2.3005 2.4697 2.4699 2.4973 2.4987 3.1613 3.1642 3.1674 3.1739 3.5242 3.5243 3.7433 3.7607 3.8537 3.8839 3.8880 4.0020 4.0385 4.0389 4.0628 4.1018 4.1734 4.2287 4.2378 4.2613 4.5217 4.5258 4.5849 4.5925 4.9873 5.0100 5.0101 5.0309 5.0540 5.0846 5.7313 5.7567 5.7795 5.7806 7.4018 7.4088 7.6422 7.6458 7.9358 7.9417 8.1321 8.1328 8.1546 8.1573 10.9405 10.9420 11.3053 11.3154 k = 0.0476 0.5000 0.0476 ( 5938 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8609 -31.8609 -7.1987 -7.1985 -6.7336 -6.7336 -6.3286 -6.3279 -6.3268 -6.3265 0.7228 0.7252 1.0476 1.0486 1.3409 1.3429 1.6713 1.6737 2.0608 2.0653 2.0734 2.0825 2.1014 2.1023 2.2942 2.2962 2.4734 2.4735 2.5008 2.5020 3.1755 3.1782 3.1814 3.1862 3.5159 3.5162 3.7448 3.7586 3.8563 3.8843 3.8908 3.9908 4.0405 4.0426 4.0659 4.0940 4.1627 4.2208 4.2272 4.2537 4.5373 4.5383 4.5879 4.6011 4.9667 4.9969 5.0148 5.0316 5.0452 5.0780 5.7414 5.7639 5.7805 5.7828 7.3935 7.3992 7.6420 7.6449 7.9291 7.9337 8.1357 8.1360 8.1511 8.1529 10.9319 10.9332 11.2765 11.2849 k = 0.0357 0.5000 0.0357 ( 5922 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8609 -31.8609 -7.2024 -7.2023 -6.7352 -6.7352 -6.3255 -6.3249 -6.3243 -6.3241 0.7192 0.7211 1.0476 1.0483 1.3425 1.3440 1.6699 1.6717 2.0623 2.0658 2.0776 2.0848 2.1020 2.1025 2.2910 2.2927 2.4762 2.4764 2.5036 2.5045 3.1877 3.1898 3.1928 3.1959 3.5085 3.5091 3.7466 3.7567 3.8595 3.8808 3.8992 3.9772 4.0443 4.0468 4.0681 4.0858 4.1559 4.2044 4.2273 4.2474 4.5484 4.5540 4.5897 4.6068 4.9480 4.9760 5.0217 5.0333 5.0452 5.0713 5.7503 5.7683 5.7827 5.7851 7.3872 7.3915 7.6419 7.6441 7.9237 7.9272 8.1386 8.1389 8.1487 8.1494 10.9238 10.9248 11.2552 11.2616 k = 0.0238 0.5000 0.0238 ( 5926 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8608 -31.8608 -7.2050 -7.2049 -6.7364 -6.7364 -6.3233 -6.3229 -6.3225 -6.3224 0.7167 0.7180 1.0476 1.0481 1.3436 1.3447 1.6690 1.6702 2.0634 2.0659 2.0808 2.0856 2.1030 2.1032 2.2888 2.2899 2.4783 2.4785 2.5056 2.5062 3.1973 3.1986 3.2012 3.2027 3.5027 3.5033 3.7484 3.7550 3.8630 3.8773 3.9091 3.9624 4.0494 4.0515 4.0681 4.0776 4.1539 4.1891 4.2285 4.2420 4.5583 4.5671 4.5910 4.6088 4.9354 4.9565 5.0276 5.0350 5.0470 5.0648 5.7575 5.7696 5.7858 5.7872 7.3828 7.3857 7.6419 7.6434 7.9199 7.9222 8.1403 8.1413 8.1470 8.1473 10.9171 10.9178 11.2407 11.2451 k = 0.0119 0.5000 0.0119 ( 5926 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8608 -31.8608 -7.2066 -7.2065 -6.7370 -6.7370 -6.3219 -6.3218 -6.3214 -6.3213 0.7153 0.7160 1.0476 1.0479 1.3444 1.3449 1.6686 1.6691 2.0644 2.0657 2.0830 2.0853 2.1039 2.1039 2.2876 2.2882 2.4795 2.4796 2.5069 2.5072 3.2038 3.2046 3.2061 3.2064 3.4991 3.4995 3.7501 3.7534 3.8666 3.8738 3.9206 3.9477 4.0554 4.0565 4.0657 4.0697 4.1570 4.1756 4.2306 4.2374 4.5666 4.5738 4.5946 4.6068 4.9301 4.9414 5.0320 5.0357 5.0498 5.0589 5.7629 5.7688 5.7882 5.7887 7.3805 7.3819 7.6421 7.6429 7.9178 7.9190 8.1412 8.1421 8.1461 8.1467 10.9128 10.9131 11.2328 11.2349 k = 0.0000 0.5000-0.0000 ( 5942 PWs) bands (ev): -58.2521 -58.2521 -32.6855 -32.6855 -31.8614 -31.8614 -31.8608 -31.8608 -7.2071 -7.2071 -6.7373 -6.7373 -6.3215 -6.3215 -6.3209 -6.3209 0.7151 0.7151 1.0477 1.0477 1.3448 1.3448 1.6686 1.6686 2.0652 2.0652 2.0844 2.0844 2.1041 2.1041 2.2873 2.2873 2.4800 2.4800 2.5074 2.5074 3.2068 3.2068 3.2072 3.2072 3.4980 3.4980 3.7517 3.7517 3.8702 3.8702 3.9336 3.9336 4.0611 4.0611 4.0626 4.0626 4.1646 4.1646 4.2336 4.2336 4.5724 4.5724 4.6013 4.6013 4.9322 4.9322 5.0347 5.0347 5.0537 5.0537 5.7665 5.7665 5.7892 5.7892 7.3802 7.3802 7.6424 7.6424 7.9175 7.9175 8.1418 8.1418 8.1464 8.1464 10.9114 10.9114 11.2309 11.2309 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9158 -6.9158 -6.6310 -6.6310 -6.6240 -6.6240 -6.4238 -6.4238 1.0518 1.0518 1.0603 1.0603 1.0898 1.0898 1.9309 1.9309 2.0256 2.0256 2.0723 2.0723 2.0827 2.0827 2.1058 2.1058 2.4260 2.4260 2.5055 2.5055 2.7218 2.7218 2.7340 2.7340 3.6448 3.6448 3.8346 3.8346 3.8552 3.8552 3.9712 3.9712 4.0364 4.0364 4.1640 4.1640 4.1900 4.1900 4.5557 4.5557 4.5657 4.5657 4.6368 4.6368 4.7033 4.7033 4.7350 4.7350 5.4238 5.4238 5.4427 5.4427 6.1760 6.1760 7.5984 7.5984 7.7867 7.7867 7.9335 7.9335 8.3285 8.3285 8.3362 8.3362 11.5069 11.5069 11.5106 11.5106 k = 0.5000 0.5000 0.0167 ( 5936 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9155 -6.9155 -6.6310 -6.6310 -6.6240 -6.6240 -6.4241 -6.4241 1.0510 1.0510 1.0595 1.0595 1.0890 1.0890 1.9269 1.9269 2.0283 2.0283 2.0726 2.0726 2.0832 2.0832 2.1062 2.1062 2.4257 2.4257 2.5068 2.5068 2.7218 2.7218 2.7341 2.7341 3.6452 3.6452 3.8348 3.8348 3.8548 3.8548 3.9713 3.9713 4.0364 4.0364 4.1629 4.1629 4.1894 4.1894 4.5546 4.5546 4.5655 4.5655 4.6368 4.6368 4.7023 4.7023 4.7356 4.7356 5.4257 5.4257 5.4458 5.4458 6.1764 6.1764 7.5973 7.5973 7.7898 7.7898 7.9334 7.9334 8.3290 8.3290 8.3367 8.3367 11.5042 11.5042 11.5079 11.5079 k = 0.5000 0.5000 0.0333 ( 5960 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9144 -6.9144 -6.6309 -6.6309 -6.6239 -6.6239 -6.4249 -6.4249 1.0485 1.0485 1.0570 1.0570 1.0864 1.0864 1.9162 1.9162 2.0355 2.0355 2.0736 2.0736 2.0848 2.0848 2.1074 2.1074 2.4249 2.4249 2.5106 2.5106 2.7222 2.7222 2.7346 2.7346 3.6465 3.6465 3.8354 3.8354 3.8537 3.8537 3.9718 3.9718 4.0366 4.0366 4.1597 4.1597 4.1876 4.1876 4.5516 4.5516 4.5649 4.5649 4.6367 4.6367 4.6997 4.6997 4.7372 4.7372 5.4315 5.4315 5.4547 5.4547 6.1777 6.1777 7.5943 7.5943 7.7987 7.7987 7.9331 7.9331 8.3307 8.3307 8.3383 8.3383 11.4962 11.4962 11.4997 11.4997 k = 0.5000 0.5000 0.0500 ( 5948 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9125 -6.9125 -6.6306 -6.6306 -6.6236 -6.6236 -6.4262 -6.4262 1.0444 1.0444 1.0529 1.0529 1.0821 1.0821 1.9010 1.9010 2.0449 2.0449 2.0755 2.0755 2.0875 2.0875 2.1094 2.1094 2.4237 2.4237 2.5169 2.5169 2.7228 2.7228 2.7354 2.7354 3.6486 3.6486 3.8365 3.8365 3.8521 3.8521 3.9726 3.9726 4.0371 4.0371 4.1547 4.1547 4.1848 4.1848 4.5473 4.5473 4.5634 4.5634 4.6365 4.6365 4.6958 4.6958 4.7395 4.7395 5.4417 5.4417 5.4691 5.4691 6.1800 6.1800 7.5902 7.5902 7.8128 7.8128 7.9327 7.9327 8.3335 8.3335 8.3411 8.3411 11.4828 11.4828 11.4862 11.4862 k = 0.5000 0.5000 0.0667 ( 5956 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9099 -6.9099 -6.6303 -6.6303 -6.6234 -6.6234 -6.4281 -6.4281 1.0388 1.0388 1.0474 1.0474 1.0762 1.0762 1.8829 1.8829 2.0549 2.0549 2.0782 2.0782 2.0911 2.0911 2.1122 2.1122 2.4219 2.4219 2.5254 2.5254 2.7236 2.7236 2.7365 2.7365 3.6514 3.6514 3.8380 3.8380 3.8499 3.8499 3.9737 3.9737 4.0376 4.0376 4.1480 4.1480 4.1810 4.1810 4.5420 4.5420 4.5609 4.5609 4.6357 4.6357 4.6910 4.6910 4.7420 4.7420 5.4565 5.4565 5.4881 5.4881 6.1830 6.1830 7.5857 7.5857 7.8310 7.8310 7.9322 7.9322 8.3374 8.3374 8.3448 8.3448 11.4640 11.4640 11.4672 11.4672 k = 0.5000 0.5000 0.0833 ( 5956 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8611 -31.8611 -6.9066 -6.9066 -6.6299 -6.6299 -6.6230 -6.6230 -6.4306 -6.4306 1.0318 1.0318 1.0403 1.0403 1.0687 1.0687 1.8632 1.8632 2.0644 2.0644 2.0819 2.0819 2.0956 2.0956 2.1157 2.1157 2.4197 2.4197 2.5358 2.5358 2.7246 2.7246 2.7378 2.7378 3.6551 3.6551 3.8400 3.8400 3.8471 3.8471 3.9749 3.9749 4.0382 4.0382 4.1400 4.1400 4.1766 4.1766 4.5360 4.5360 4.5576 4.5576 4.6340 4.6340 4.6855 4.6855 4.7443 4.7443 5.4759 5.4759 5.5114 5.5114 6.1869 6.1869 7.5816 7.5816 7.8525 7.8525 7.9317 7.9317 8.3422 8.3422 8.3495 8.3495 11.4402 11.4402 11.4431 11.4431 k = 0.5000 0.5000 0.1000 ( 5960 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8612 -31.8612 -6.9025 -6.9025 -6.6294 -6.6294 -6.6226 -6.6226 -6.4336 -6.4336 1.0235 1.0235 1.0319 1.0319 1.0598 1.0598 1.8423 1.8423 2.0726 2.0726 2.0873 2.0873 2.1010 2.1010 2.1201 2.1201 2.4169 2.4169 2.5478 2.5478 2.7259 2.7259 2.7395 2.7395 3.6595 3.6595 3.8423 3.8423 3.8438 3.8438 3.9763 3.9763 4.0388 4.0388 4.1309 4.1309 4.1720 4.1720 4.5293 4.5293 4.5534 4.5534 4.6310 4.6310 4.6795 4.6795 4.7462 4.7462 5.4999 5.4999 5.5387 5.5387 6.1916 6.1916 7.5786 7.5786 7.8761 7.8761 7.9317 7.9317 8.3480 8.3480 8.3552 8.3552 11.4112 11.4112 11.4139 11.4139 k = 0.5000 0.5000 0.1167 ( 5956 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8612 -31.8612 -6.8978 -6.8978 -6.6288 -6.6288 -6.6221 -6.6221 -6.4371 -6.4371 1.0139 1.0139 1.0224 1.0224 1.0495 1.0495 1.8208 1.8208 2.0790 2.0790 2.0944 2.0944 2.1070 2.1070 2.1252 2.1252 2.4137 2.4137 2.5611 2.5611 2.7273 2.7273 2.7414 2.7414 3.6646 3.6646 3.8401 3.8401 3.8450 3.8450 3.9777 3.9777 4.0392 4.0392 4.1209 4.1209 4.1675 4.1675 4.5221 4.5221 4.5485 4.5485 4.6268 4.6268 4.6730 4.6730 4.7476 4.7476 5.5281 5.5281 5.5695 5.5695 6.1970 6.1970 7.5771 7.5771 7.8997 7.8997 7.9340 7.9340 8.3546 8.3546 8.3616 8.3616 11.3776 11.3776 11.3798 11.3798 k = 0.5000 0.5000 0.1333 ( 5956 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8612 -31.8612 -6.8924 -6.8924 -6.6282 -6.6282 -6.6215 -6.6215 -6.4411 -6.4411 1.0033 1.0033 1.0117 1.0117 1.0380 1.0380 1.7989 1.7989 2.0843 2.0843 2.1027 2.1027 2.1136 2.1136 2.1311 2.1311 2.4101 2.4101 2.5753 2.5753 2.7290 2.7290 2.7436 2.7436 3.6703 3.6703 3.8362 3.8362 3.8480 3.8480 3.9791 3.9791 4.0394 4.0394 4.1104 4.1104 4.1636 4.1636 4.5144 4.5144 4.5430 4.5430 4.6211 4.6211 4.6661 4.6661 4.7481 4.7481 5.5601 5.5601 5.6035 5.6035 6.2031 6.2031 7.5774 7.5774 7.9150 7.9150 7.9463 7.9463 8.3619 8.3619 8.3687 8.3687 11.3394 11.3394 11.3414 11.3414 k = 0.5000 0.5000 0.1500 ( 5964 PWs) bands (ev): -58.2521 -58.2521 -32.6858 -32.6858 -31.8616 -31.8616 -31.8612 -31.8612 -6.8863 -6.8863 -6.6274 -6.6274 -6.6209 -6.6209 -6.4456 -6.4456 0.9918 0.9918 1.0002 1.0002 1.0254 1.0254 1.7769 1.7769 2.0893 2.0893 2.1113 2.1113 2.1207 2.1207 2.1377 2.1377 2.4060 2.4060 2.5901 2.5901 2.7308 2.7308 2.7460 2.7460 3.6764 3.6764 3.8320 3.8320 3.8513 3.8513 3.9803 3.9803 4.0393 4.0393 4.0996 4.0996 4.1607 4.1607 4.5062 4.5062 4.5370 4.5370 4.6139 4.6139 4.6589 4.6589 4.7478 4.7478 5.5957 5.5957 5.6403 5.6403 6.2097 6.2097 7.5796 7.5796 7.9183 7.9183 7.9720 7.9720 8.3698 8.3698 8.3765 8.3765 11.2973 11.2973 11.2989 11.2989 k = 0.5000 0.5000 0.1667 ( 5948 PWs) bands (ev): -58.2520 -58.2520 -32.6858 -32.6858 -31.8616 -31.8616 -31.8612 -31.8612 -6.8796 -6.8796 -6.6267 -6.6267 -6.6202 -6.6202 -6.4507 -6.4507 0.9796 0.9796 0.9878 0.9878 1.0119 1.0119 1.7549 1.7549 2.0942 2.0942 2.1201 2.1201 2.1282 2.1282 2.1449 2.1449 2.4015 2.4015 2.6052 2.6052 2.7327 2.7327 2.7485 2.7485 3.6830 3.6830 3.8278 3.8278 3.8549 3.8549 3.9815 3.9815 4.0387 4.0387 4.0887 4.0887 4.1591 4.1591 4.4976 4.4976 4.5308 4.5308 4.6053 4.6053 4.6515 4.6515 4.7464 4.7464 5.6343 5.6343 5.6796 5.6796 6.2169 6.2169 7.5840 7.5840 7.9179 7.9179 8.0026 8.0026 8.3782 8.3782 8.3847 8.3847 11.2516 11.2516 11.2529 11.2529 k = 0.5000 0.5000 0.1833 ( 5956 PWs) bands (ev): -58.2521 -58.2521 -32.6859 -32.6859 -31.8616 -31.8616 -31.8613 -31.8613 -6.8722 -6.8722 -6.6258 -6.6258 -6.6195 -6.6195 -6.4563 -6.4563 0.9668 0.9668 0.9749 0.9749 0.9976 0.9976 1.7331 1.7331 2.0992 2.0992 2.1288 2.1288 2.1358 2.1358 2.1528 2.1528 2.3966 2.3966 2.6204 2.6204 2.7348 2.7348 2.7513 2.7513 3.6897 3.6897 3.8236 3.8236 3.8587 3.8587 3.9824 3.9824 4.0375 4.0375 4.0780 4.0780 4.1590 4.1590 4.4885 4.4885 4.5243 4.5243 4.5955 4.5955 4.6437 4.6437 4.7437 4.7437 5.6755 5.6755 5.7209 5.7209 6.2246 6.2246 7.5906 7.5906 7.9164 7.9164 8.0352 8.0352 8.3869 8.3869 8.3932 8.3932 11.2028 11.2028 11.2041 11.2041 k = 0.5000 0.5000 0.2000 ( 5956 PWs) bands (ev): -58.2521 -58.2521 -32.6859 -32.6859 -31.8616 -31.8616 -31.8613 -31.8613 -6.8643 -6.8643 -6.6250 -6.6250 -6.6187 -6.6187 -6.4624 -6.4624 0.9535 0.9535 0.9616 0.9616 0.9828 0.9828 1.7116 1.7116 2.1045 2.1045 2.1375 2.1375 2.1435 2.1435 2.1611 2.1611 2.3914 2.3914 2.6353 2.6353 2.7370 2.7370 2.7541 2.7541 3.6963 3.6963 3.8198 3.8198 3.8626 3.8626 3.9830 3.9830 4.0357 4.0357 4.0679 4.0679 4.1606 4.1606 4.4791 4.4791 4.5178 4.5178 4.5845 4.5845 4.6356 4.6356 4.7397 4.7397 5.7189 5.7189 5.7639 5.7639 6.2327 6.2327 7.5995 7.5995 7.9145 7.9145 8.0688 8.0688 8.3958 8.3958 8.4019 8.4019 11.1517 11.1517 11.1531 11.1531 k = 0.5000 0.5000 0.2167 ( 5960 PWs) bands (ev): -58.2521 -58.2521 -32.6859 -32.6859 -31.8616 -31.8616 -31.8613 -31.8613 -6.8559 -6.8559 -6.6241 -6.6241 -6.6180 -6.6180 -6.4690 -6.4690 0.9399 0.9399 0.9479 0.9479 0.9676 0.9676 1.6906 1.6906 2.1100 2.1100 2.1461 2.1461 2.1513 2.1513 2.1698 2.1698 2.3858 2.3858 2.6498 2.6498 2.7392 2.7392 2.7571 2.7571 3.7026 3.7026 3.8167 3.8167 3.8666 3.8666 3.9832 3.9832 4.0331 4.0331 4.0588 4.0588 4.1638 4.1638 4.4693 4.4693 4.5112 4.5112 4.5727 4.5727 4.6273 4.6273 4.7343 4.7343 5.7639 5.7639 5.8082 5.8082 6.2410 6.2410 7.6105 7.6105 7.9123 7.9123 8.1031 8.1031 8.4048 8.4048 8.4107 8.4107 11.0989 11.0989 11.1006 11.1006 k = 0.5000 0.5000 0.2333 ( 5952 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8616 -31.8616 -31.8614 -31.8614 -6.8469 -6.8469 -6.6232 -6.6232 -6.6172 -6.6172 -6.4760 -6.4760 0.9263 0.9263 0.9342 0.9342 0.9522 0.9522 1.6702 1.6702 2.1157 2.1157 2.1548 2.1548 2.1591 2.1591 2.1787 2.1787 2.3799 2.3799 2.6637 2.6637 2.7416 2.7416 2.7602 2.7602 3.7083 3.7083 3.8144 3.8144 3.8707 3.8707 3.9830 3.9830 4.0297 4.0297 4.0511 4.0511 4.1687 4.1687 4.4593 4.4593 4.5047 4.5047 4.5603 4.5603 4.6188 4.6188 4.7275 4.7275 5.8100 5.8100 5.8535 5.8535 6.2495 6.2495 7.6237 7.6237 7.9099 7.9099 8.1377 8.1377 8.4137 8.4137 8.4194 8.4194 11.0450 11.0450 11.0470 11.0470 k = 0.5000 0.5000 0.2500 ( 5952 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8616 -31.8616 -31.8614 -31.8614 -6.8374 -6.8374 -6.6222 -6.6222 -6.6164 -6.6164 -6.4835 -6.4835 0.9126 0.9126 0.9204 0.9204 0.9368 0.9368 1.6505 1.6505 2.1217 2.1217 2.1633 2.1633 2.1667 2.1667 2.1878 2.1878 2.3737 2.3737 2.6769 2.6769 2.7439 2.7439 2.7633 2.7633 3.7130 3.7130 3.8135 3.8135 3.8748 3.8748 3.9820 3.9820 4.0255 4.0255 4.0453 4.0453 4.1750 4.1750 4.4492 4.4492 4.4984 4.4984 4.5473 4.5473 4.6100 4.6100 4.7191 4.7191 5.8569 5.8569 5.8991 5.8991 6.2582 6.2582 7.6389 7.6389 7.9075 7.9075 8.1723 8.1723 8.4224 8.4224 8.4279 8.4279 10.9907 10.9907 10.9932 10.9932 k = 0.5000 0.5000 0.2667 ( 5948 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8616 -31.8616 -31.8614 -31.8614 -6.8275 -6.8275 -6.6213 -6.6213 -6.6156 -6.6156 -6.4915 -6.4915 0.8991 0.8991 0.9069 0.9069 0.9216 0.9216 1.6316 1.6316 2.1279 2.1279 2.1719 2.1719 2.1743 2.1743 2.1968 2.1968 2.3672 2.3672 2.6893 2.6893 2.7462 2.7462 2.7665 2.7665 3.7164 3.7164 3.8141 3.8141 3.8788 3.8788 3.9801 3.9801 4.0211 4.0211 4.0411 4.0411 4.1828 4.1828 4.4390 4.4390 4.4923 4.4923 4.5341 4.5341 4.6011 4.6011 4.7093 4.7093 5.9039 5.9039 5.9449 5.9449 6.2668 6.2668 7.6559 7.6559 7.9049 7.9049 8.2064 8.2064 8.4307 8.4307 8.4360 8.4360 10.9367 10.9367 10.9396 10.9396 k = 0.5000 0.5000 0.2833 ( 5940 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8617 -31.8617 -31.8614 -31.8614 -6.8172 -6.8172 -6.6204 -6.6204 -6.6148 -6.6148 -6.4998 -6.4998 0.8860 0.8860 0.8936 0.8936 0.9066 0.9066 1.6136 1.6136 2.1344 2.1344 2.1803 2.1803 2.1816 2.1816 2.2057 2.2057 2.3605 2.3605 2.7008 2.7008 2.7486 2.7486 2.7697 2.7697 3.7184 3.7184 3.8164 3.8164 3.8827 3.8827 3.9771 3.9771 4.0173 4.0173 4.0381 4.0381 4.1919 4.1919 4.4289 4.4289 4.4865 4.4865 4.5208 4.5208 4.5922 4.5922 4.6980 4.6980 5.9508 5.9508 5.9903 5.9903 6.2755 6.2755 7.6745 7.6745 7.9024 7.9024 8.2398 8.2398 8.4385 8.4385 8.4437 8.4437 10.8837 10.8837 10.8870 10.8870 k = 0.5000 0.5000 0.3000 ( 5952 PWs) bands (ev): -58.2520 -58.2520 -32.6859 -32.6859 -31.8617 -31.8617 -31.8615 -31.8615 -6.8065 -6.8065 -6.6195 -6.6195 -6.6141 -6.6141 -6.5086 -6.5086 0.8732 0.8732 0.8808 0.8808 0.8922 0.8922 1.5965 1.5965 2.1410 2.1410 2.1880 2.1880 2.1891 2.1891 2.2144 2.2144 2.3535 2.3535 2.7112 2.7112 2.7508 2.7508 2.7729 2.7729 3.7189 3.7189 3.8203 3.8203 3.8864 3.8864 3.9728 3.9728 4.0147 4.0147 4.0359 4.0359 4.2022 4.2022 4.4189 4.4189 4.4811 4.4811 4.5075 4.5075 4.5832 4.5832 4.6853 4.6853 5.9968 5.9968 6.0348 6.0348 6.2839 6.2839 7.6945 7.6945 7.8998 7.8998 8.2722 8.2722 8.4458 8.4458 8.4508 8.4508 10.8321 10.8321 10.8358 10.8358 k = 0.5000 0.5000 0.3167 ( 5960 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8615 -31.8615 -6.7955 -6.7955 -6.6186 -6.6186 -6.6133 -6.6133 -6.5177 -6.5177 0.8610 0.8610 0.8686 0.8686 0.8784 0.8784 1.5804 1.5804 2.1478 2.1478 2.1949 2.1949 2.1971 2.1971 2.2228 2.2228 2.3464 2.3464 2.7207 2.7207 2.7531 2.7531 2.7760 2.7760 3.7182 3.7182 3.8257 3.8257 3.8898 3.8898 3.9677 3.9677 4.0131 4.0131 4.0341 4.0341 4.2136 4.2136 4.4093 4.4093 4.4760 4.4760 4.4945 4.4945 4.5742 4.5742 4.6713 4.6713 6.0417 6.0417 6.0780 6.0780 6.2922 6.2922 7.7153 7.7153 7.8973 7.8973 8.3032 8.3032 8.4524 8.4524 8.4572 8.4572 10.7826 10.7826 10.7866 10.7866 k = 0.5000 0.5000 0.3333 ( 5972 PWs) bands (ev): -58.2521 -58.2521 -32.6860 -32.6860 -31.8617 -31.8617 -31.8615 -31.8615 -6.7843 -6.7843 -6.6178 -6.6178 -6.6126 -6.6126 -6.5272 -6.5272 0.8494 0.8494 0.8570 0.8570 0.8654 0.8654 1.5654 1.5654 2.1548 2.1548 2.2010 2.2010 2.2049 2.2049 2.2307 2.2307 2.3392 2.3392 2.7291 2.7291 2.7552 2.7552 2.7790 2.7790 3.7166 3.7166 3.8320 3.8320 3.8929 3.8929 3.9620 3.9620 4.0125 4.0125 4.0326 4.0326 4.2260 4.2260 4.4001 4.4001 4.4714 4.4714 4.4820 4.4820 4.5655 4.5655 4.6561 4.6561 6.0849 6.0849 6.1194 6.1194 6.3002 6.3002 7.7368 7.7368 7.8949 7.8949 8.3325 8.3325 8.4582 8.4582 8.4629 8.4629 10.7356 10.7356 10.7400 10.7400 k = 0.5000 0.5000 0.3500 ( 5956 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8615 -31.8615 -6.7729 -6.7729 -6.6170 -6.6170 -6.6120 -6.6120 -6.5370 -6.5370 0.8385 0.8385 0.8463 0.8463 0.8532 0.8532 1.5517 1.5517 2.1619 2.1619 2.2067 2.2067 2.2125 2.2125 2.2381 2.2381 2.3320 2.3320 2.7366 2.7366 2.7572 2.7572 2.7820 2.7820 3.7145 3.7145 3.8392 3.8392 3.8958 3.8958 3.9561 3.9561 4.0126 4.0126 4.0313 4.0313 4.2394 4.2394 4.3916 4.3916 4.4672 4.4672 4.4702 4.4702 4.5571 4.5571 4.6399 4.6399 6.1259 6.1259 6.1586 6.1586 6.3080 6.3080 7.7585 7.7585 7.8926 7.8926 8.3597 8.3597 8.4634 8.4634 8.4679 8.4679 10.6917 10.6917 10.6964 10.6964 k = 0.5000 0.5000 0.3667 ( 5948 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8616 -31.8616 -6.7614 -6.7614 -6.6162 -6.6162 -6.6114 -6.6114 -6.5469 -6.5469 0.8285 0.8285 0.8364 0.8364 0.8422 0.8422 1.5392 1.5392 2.1691 2.1691 2.2117 2.2117 2.2197 2.2197 2.2449 2.2449 2.3247 2.3247 2.7431 2.7431 2.7591 2.7591 2.7848 2.7848 3.7121 3.7121 3.8467 3.8467 3.8984 3.8984 3.9502 3.9502 4.0132 4.0132 4.0302 4.0302 4.2536 4.2536 4.3838 4.3838 4.4591 4.4591 4.4636 4.4636 4.5489 4.5489 4.6229 4.6229 6.1642 6.1642 6.1950 6.1950 6.3154 6.3154 7.7799 7.7799 7.8904 7.8904 8.3847 8.3847 8.4677 8.4677 8.4721 8.4721 10.6513 10.6513 10.6561 10.6561 k = 0.5000 0.5000 0.3833 ( 5940 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8616 -31.8616 -6.7499 -6.7499 -6.6156 -6.6156 -6.6108 -6.6108 -6.5571 -6.5571 0.8194 0.8194 0.8275 0.8275 0.8322 0.8322 1.5280 1.5280 2.1763 2.1763 2.2160 2.2160 2.2264 2.2264 2.2510 2.2510 2.3176 2.3176 2.7486 2.7486 2.7608 2.7608 2.7874 2.7874 3.7097 3.7097 3.8545 3.8545 3.9006 3.9006 3.9443 3.9443 4.0141 4.0141 4.0292 4.0292 4.2684 4.2684 4.3767 4.3767 4.4492 4.4492 4.4602 4.4602 4.5413 4.5413 4.6053 4.6053 6.1994 6.1994 6.2280 6.2280 6.3226 6.3226 7.8005 7.8005 7.8885 7.8885 8.4071 8.4071 8.4713 8.4713 8.4755 8.4755 10.6147 10.6147 10.6197 10.6197 k = 0.5000 0.5000 0.4000 ( 5948 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8616 -31.8616 -6.7385 -6.7385 -6.6150 -6.6150 -6.6103 -6.6103 -6.5672 -6.5672 0.8113 0.8113 0.8197 0.8197 0.8234 0.8234 1.5182 1.5182 2.1835 2.1835 2.2196 2.2196 2.2327 2.2327 2.2562 2.2562 2.3107 2.3107 2.7533 2.7533 2.7623 2.7623 2.7898 2.7898 3.7073 3.7073 3.8622 3.8622 3.9025 3.9025 3.9385 3.9385 4.0152 4.0152 4.0282 4.0282 4.2835 4.2835 4.3705 4.3705 4.4404 4.4404 4.4572 4.4572 4.5342 4.5342 4.5874 4.5874 6.2310 6.2310 6.2568 6.2568 6.3297 6.3297 7.8198 7.8198 7.8867 7.8867 8.4268 8.4268 8.4742 8.4742 8.4783 8.4783 10.5823 10.5823 10.5872 10.5872 k = 0.5000 0.5000 0.4167 ( 5940 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8616 -31.8616 -6.7273 -6.7273 -6.6145 -6.6145 -6.6099 -6.6099 -6.5772 -6.5772 0.8043 0.8043 0.8130 0.8130 0.8158 0.8158 1.5098 1.5098 2.1906 2.1906 2.2223 2.2223 2.2384 2.2384 2.2604 2.2604 2.3042 2.3042 2.7571 2.7571 2.7636 2.7636 2.7919 2.7919 3.7051 3.7051 3.8698 3.8698 3.9041 3.9041 3.9328 3.9328 4.0163 4.0163 4.0272 4.0272 4.2986 4.2986 4.3652 4.3652 4.4333 4.4333 4.4545 4.4545 4.5278 4.5278 4.5698 4.5698 6.2586 6.2586 6.2809 6.2809 6.3371 6.3371 7.8373 7.8373 7.8851 7.8851 8.4435 8.4435 8.4764 8.4764 8.4804 8.4804 10.5544 10.5544 10.5591 10.5591 k = 0.5000 0.5000 0.4333 ( 5940 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8616 -31.8616 -6.7167 -6.7167 -6.6142 -6.6142 -6.6095 -6.6095 -6.5869 -6.5869 0.7985 0.7985 0.8074 0.8074 0.8096 0.8096 1.5028 1.5028 2.1974 2.1974 2.2241 2.2241 2.2436 2.2436 2.2634 2.2634 2.2984 2.2984 2.7602 2.7602 2.7647 2.7647 2.7937 2.7937 3.7032 3.7032 3.8773 3.8773 3.9053 3.9053 3.9272 3.9272 4.0175 4.0175 4.0262 4.0262 4.3131 4.3131 4.3608 4.3608 4.4280 4.4280 4.4518 4.4518 4.5223 4.5223 4.5530 4.5530 6.2818 6.2818 6.2993 6.2993 6.3450 6.3450 7.8524 7.8524 7.8838 7.8838 8.4572 8.4572 8.4781 8.4781 8.4821 8.4821 10.5312 10.5312 10.5354 10.5354 k = 0.5000 0.5000 0.4500 ( 5940 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8616 -31.8616 -6.7070 -6.7070 -6.6140 -6.6140 -6.6093 -6.6093 -6.5957 -6.5957 0.7938 0.7938 0.8031 0.8031 0.8047 0.8047 1.4974 1.4974 2.2039 2.2039 2.2248 2.2248 2.2484 2.2484 2.2650 2.2650 2.2937 2.2937 2.7625 2.7625 2.7655 2.7655 2.7951 2.7951 3.7017 3.7017 3.8844 3.8844 3.9063 3.9063 3.9216 3.9216 4.0187 4.0187 4.0253 4.0253 4.3263 4.3263 4.3573 4.3573 4.4251 4.4251 4.4487 4.4487 4.5178 4.5178 4.5379 4.5379 6.3002 6.3002 6.3117 6.3117 6.3534 6.3534 7.8648 7.8648 7.8828 7.8828 8.4678 8.4678 8.4793 8.4793 8.4833 8.4833 10.5130 10.5130 10.5160 10.5160 k = 0.5000 0.5000 0.4667 ( 5920 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8616 -31.8616 -6.6989 -6.6989 -6.6141 -6.6141 -6.6091 -6.6091 -6.6029 -6.6029 0.7905 0.7905 0.8001 0.8001 0.8011 0.8011 1.4935 1.4935 2.2099 2.2099 2.2243 2.2243 2.2527 2.2527 2.2648 2.2648 2.2905 2.2905 2.7643 2.7643 2.7660 2.7660 2.7961 2.7961 3.7007 3.7007 3.8913 3.8913 3.9070 3.9070 3.9159 3.9159 4.0199 4.0199 4.0243 4.0243 4.3372 4.3372 4.3545 4.3545 4.4249 4.4249 4.4450 4.4450 4.5146 4.5146 4.5254 4.5254 6.3136 6.3136 6.3193 6.3193 6.3611 6.3611 7.8739 7.8739 7.8821 7.8821 8.4751 8.4751 8.4801 8.4801 8.4843 8.4843 10.4998 10.4998 10.5016 10.5016 k = 0.5000 0.5000 0.4833 ( 5904 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8617 -31.8617 -6.6933 -6.6933 -6.6147 -6.6147 -6.6089 -6.6089 -6.6075 -6.6075 0.7885 0.7885 0.7983 0.7983 0.7988 0.7988 1.4912 1.4912 2.2152 2.2152 2.2225 2.2225 2.2566 2.2566 2.2630 2.2630 2.2888 2.2888 2.7654 2.7654 2.7662 2.7662 2.7968 2.7968 3.7001 3.7001 3.8979 3.8979 3.9075 3.9075 3.9102 3.9102 4.0211 4.0211 4.0233 4.0233 4.3449 4.3449 4.3522 4.3522 4.4272 4.4272 4.4406 4.4406 4.5128 4.5128 4.5170 4.5170 6.3217 6.3217 6.3232 6.3232 6.3664 6.3664 7.8796 7.8796 7.8816 7.8816 8.4792 8.4792 8.4806 8.4806 8.4852 8.4852 10.4919 10.4919 10.4925 10.4925 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2520 -58.2520 -32.6860 -32.6860 -31.8617 -31.8617 -31.8617 -31.8617 -6.6912 -6.6912 -6.6152 -6.6152 -6.6089 -6.6089 -6.6089 -6.6089 0.7878 0.7878 0.7979 0.7979 0.7979 0.7979 1.4904 1.4904 2.2194 2.2194 2.2194 2.2194 2.2602 2.2602 2.2602 2.2602 2.2883 2.2883 2.7661 2.7661 2.7661 2.7661 2.7970 2.7970 3.6998 3.6998 3.9041 3.9041 3.9041 3.9041 3.9077 3.9077 4.0222 4.0222 4.0222 4.0222 4.3495 4.3495 4.3495 4.3495 4.4294 4.4294 4.4377 4.4377 4.5131 4.5131 4.5131 4.5131 6.3244 6.3244 6.3244 6.3244 6.3682 6.3682 7.8815 7.8815 7.8815 7.8815 8.4806 8.4806 8.4806 8.4806 8.4857 8.4857 10.4894 10.4894 10.4894 10.4894 Writing output data file VCu3S4.save init_run : 5.19s CPU 11.87s WALL ( 1 calls) electrons : 1869.59s CPU 1888.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 1869.53s CPU 1888.37s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.84s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.06s CPU 0.53s WALL ( 1 calls) newd : 1.44s CPU 1.67s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.17s WALL ( 231 calls) cegterg : 1794.80s CPU 1810.91s WALL ( 847 calls) Called by sum_band: Called by *egterg: h_psi : 573.03s CPU 585.88s WALL ( 16596 calls) s_psi : 113.64s CPU 114.30s WALL ( 16596 calls) g_psi : 1.32s CPU 1.40s WALL ( 15518 calls) cdiaghg : 856.68s CPU 855.21s WALL ( 15749 calls) cegterg:over : 138.55s CPU 134.09s WALL ( 15518 calls) cegterg:upda : 41.01s CPU 44.50s WALL ( 15518 calls) cegterg:last : 28.68s CPU 29.14s WALL ( 1771 calls) Called by h_psi: h_psi:vloc : 369.36s CPU 378.62s WALL ( 16596 calls) h_psi:vnl : 203.02s CPU 205.70s WALL ( 16596 calls) add_vuspsi : 84.28s CPU 89.80s WALL ( 16596 calls) General routines calbec : 118.65s CPU 115.73s WALL ( 16596 calls) fft : 0.24s CPU 1.14s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 323.58s CPU 327.83s WALL ( 1735288 calls) interpolate : 0.14s CPU 0.14s WALL ( 4 calls) davcio : 0.02s CPU 2.71s WALL ( 462 calls) Parallel routines fft_scatter : 216.26s CPU 213.79s WALL ( 1735311 calls) PWSCF : 32m23.41s CPU 34m37.15s WALL This run was terminated on: 21:24:50 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. 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