Program PWSCF v.5.1.1 starts on 28Oct2015 at 22: 8:20 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 32 9 6103 980 153 Max 112 33 10 6108 995 158 Sum 5345 1581 465 293027 47401 7441 bravais-lattice index = 14 lattice parameter (alat) = 10.1879 a.u. unit-cell volume = 1057.4329 (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)= 10.187891 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: 293027 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 47401 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 ( 6105) G-vector shells 0.01 Mb ( 1114) 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 50.9 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 72.5 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.8 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 93.1 secs Computing kpt #: 6 total cpu time spent up to now is 101.8 secs Computing kpt #: 7 total cpu time spent up to now is 110.0 secs Computing kpt #: 8 total cpu time spent up to now is 117.4 secs Computing kpt #: 9 total cpu time spent up to now is 123.2 secs Computing kpt #: 10 total cpu time spent up to now is 129.7 secs Computing kpt #: 11 total cpu time spent up to now is 135.7 secs Computing kpt #: 12 total cpu time spent up to now is 141.2 secs Computing kpt #: 13 total cpu time spent up to now is 146.8 secs Computing kpt #: 14 total cpu time spent up to now is 152.4 secs Computing kpt #: 15 total cpu time spent up to now is 157.6 secs Computing kpt #: 16 total cpu time spent up to now is 163.8 secs Computing kpt #: 17 total cpu time spent up to now is 169.0 secs Computing kpt #: 18 total cpu time spent up to now is 174.1 secs Computing kpt #: 19 total cpu time spent up to now is 179.3 secs Computing kpt #: 20 total cpu time spent up to now is 184.5 secs Computing kpt #: 21 total cpu time spent up to now is 189.7 secs Computing kpt #: 22 total cpu time spent up to now is 194.9 secs Computing kpt #: 23 total cpu time spent up to now is 200.1 secs Computing kpt #: 24 total cpu time spent up to now is 205.3 secs Computing kpt #: 25 total cpu time spent up to now is 210.5 secs Computing kpt #: 26 total cpu time spent up to now is 215.8 secs Computing kpt #: 27 total cpu time spent up to now is 221.0 secs Computing kpt #: 28 total cpu time spent up to now is 226.7 secs Computing kpt #: 29 total cpu time spent up to now is 231.7 secs Computing kpt #: 30 total cpu time spent up to now is 236.7 secs Computing kpt #: 31 total cpu time spent up to now is 241.8 secs Computing kpt #: 32 total cpu time spent up to now is 246.8 secs Computing kpt #: 33 total cpu time spent up to now is 252.1 secs Computing kpt #: 34 total cpu time spent up to now is 257.3 secs Computing kpt #: 35 total cpu time spent up to now is 262.6 secs Computing kpt #: 36 total cpu time spent up to now is 267.9 secs Computing kpt #: 37 total cpu time spent up to now is 273.3 secs Computing kpt #: 38 total cpu time spent up to now is 278.7 secs Computing kpt #: 39 total cpu time spent up to now is 284.2 secs Computing kpt #: 40 total cpu time spent up to now is 290.0 secs Computing kpt #: 41 total cpu time spent up to now is 296.3 secs Computing kpt #: 42 total cpu time spent up to now is 302.6 secs Computing kpt #: 43 total cpu time spent up to now is 308.5 secs Computing kpt #: 44 total cpu time spent up to now is 314.8 secs Computing kpt #: 45 total cpu time spent up to now is 321.3 secs Computing kpt #: 46 total cpu time spent up to now is 328.8 secs Computing kpt #: 47 total cpu time spent up to now is 336.7 secs Computing kpt #: 48 total cpu time spent up to now is 345.0 secs Computing kpt #: 49 total cpu time spent up to now is 354.1 secs Computing kpt #: 50 total cpu time spent up to now is 360.8 secs Computing kpt #: 51 total cpu time spent up to now is 367.3 secs Computing kpt #: 52 total cpu time spent up to now is 373.6 secs Computing kpt #: 53 total cpu time spent up to now is 379.8 secs Computing kpt #: 54 total cpu time spent up to now is 385.7 secs Computing kpt #: 55 total cpu time spent up to now is 391.4 secs Computing kpt #: 56 total cpu time spent up to now is 397.0 secs Computing kpt #: 57 total cpu time spent up to now is 402.9 secs Computing kpt #: 58 total cpu time spent up to now is 408.6 secs Computing kpt #: 59 total cpu time spent up to now is 414.8 secs Computing kpt #: 60 total cpu time spent up to now is 420.6 secs Computing kpt #: 61 total cpu time spent up to now is 427.3 secs Computing kpt #: 62 total cpu time spent up to now is 432.4 secs Computing kpt #: 63 total cpu time spent up to now is 437.6 secs Computing kpt #: 64 total cpu time spent up to now is 443.4 secs Computing kpt #: 65 total cpu time spent up to now is 449.0 secs Computing kpt #: 66 total cpu time spent up to now is 454.8 secs Computing kpt #: 67 total cpu time spent up to now is 460.5 secs Computing kpt #: 68 total cpu time spent up to now is 466.2 secs Computing kpt #: 69 total cpu time spent up to now is 471.9 secs Computing kpt #: 70 total cpu time spent up to now is 477.7 secs Computing kpt #: 71 total cpu time spent up to now is 484.0 secs Computing kpt #: 72 total cpu time spent up to now is 490.7 secs Computing kpt #: 73 total cpu time spent up to now is 497.8 secs Computing kpt #: 74 total cpu time spent up to now is 508.7 secs Computing kpt #: 75 total cpu time spent up to now is 517.5 secs Computing kpt #: 76 total cpu time spent up to now is 525.5 secs Computing kpt #: 77 total cpu time spent up to now is 533.8 secs Computing kpt #: 78 total cpu time spent up to now is 541.8 secs Computing kpt #: 79 total cpu time spent up to now is 550.7 secs Computing kpt #: 80 total cpu time spent up to now is 558.9 secs Computing kpt #: 81 total cpu time spent up to now is 568.0 secs Computing kpt #: 82 total cpu time spent up to now is 576.2 secs Computing kpt #: 83 total cpu time spent up to now is 584.0 secs Computing kpt #: 84 total cpu time spent up to now is 591.5 secs Computing kpt #: 85 total cpu time spent up to now is 600.7 secs Computing kpt #: 86 total cpu time spent up to now is 609.1 secs Computing kpt #: 87 total cpu time spent up to now is 617.2 secs Computing kpt #: 88 total cpu time spent up to now is 625.5 secs Computing kpt #: 89 total cpu time spent up to now is 634.8 secs Computing kpt #: 90 total cpu time spent up to now is 643.7 secs Computing kpt #: 91 total cpu time spent up to now is 653.1 secs Computing kpt #: 92 total cpu time spent up to now is 662.3 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 673.3 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 684.4 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 695.5 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 706.6 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 717.6 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 728.6 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 739.5 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 750.4 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 762.3 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 773.2 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 783.9 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 794.8 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 805.0 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 815.1 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 826.0 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 837.5 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 848.0 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 858.5 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 869.0 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 879.6 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 890.1 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 902.8 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 913.7 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 924.4 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 935.2 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 945.9 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 956.6 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 967.7 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 978.6 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 989.4 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1000.2 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1011.0 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1021.6 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1032.6 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1043.4 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1054.2 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1065.0 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1075.9 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1086.7 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1097.7 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1108.5 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1119.4 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1130.3 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1141.1 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1152.0 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1164.0 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1175.0 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1185.9 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1197.5 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1209.7 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1220.9 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1232.0 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1249.9 secs Computing kpt #: 146 total cpu time spent up to now is 1261.2 secs Computing kpt #: 147 total cpu time spent up to now is 1272.8 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1283.7 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1294.5 secs Computing kpt #: 150 total cpu time spent up to now is 1303.6 secs Computing kpt #: 151 total cpu time spent up to now is 1311.7 secs Computing kpt #: 152 total cpu time spent up to now is 1319.6 secs Computing kpt #: 153 total cpu time spent up to now is 1327.8 secs Computing kpt #: 154 total cpu time spent up to now is 1335.4 secs Computing kpt #: 155 total cpu time spent up to now is 1348.3 secs Computing kpt #: 156 total cpu time spent up to now is 1354.9 secs Computing kpt #: 157 total cpu time spent up to now is 1364.5 secs Computing kpt #: 158 total cpu time spent up to now is 1370.6 secs Computing kpt #: 159 total cpu time spent up to now is 1377.5 secs Computing kpt #: 160 total cpu time spent up to now is 1384.4 secs Computing kpt #: 161 total cpu time spent up to now is 1391.2 secs Computing kpt #: 162 total cpu time spent up to now is 1398.1 secs Computing kpt #: 163 total cpu time spent up to now is 1404.5 secs Computing kpt #: 164 total cpu time spent up to now is 1411.4 secs Computing kpt #: 165 total cpu time spent up to now is 1417.6 secs Computing kpt #: 166 total cpu time spent up to now is 1423.5 secs Computing kpt #: 167 total cpu time spent up to now is 1429.6 secs Computing kpt #: 168 total cpu time spent up to now is 1435.5 secs Computing kpt #: 169 total cpu time spent up to now is 1440.8 secs Computing kpt #: 170 total cpu time spent up to now is 1446.1 secs Computing kpt #: 171 total cpu time spent up to now is 1451.5 secs Computing kpt #: 172 total cpu time spent up to now is 1456.9 secs Computing kpt #: 173 total cpu time spent up to now is 1462.1 secs Computing kpt #: 174 total cpu time spent up to now is 1467.3 secs Computing kpt #: 175 total cpu time spent up to now is 1472.5 secs Computing kpt #: 176 total cpu time spent up to now is 1477.9 secs Computing kpt #: 177 total cpu time spent up to now is 1483.3 secs Computing kpt #: 178 total cpu time spent up to now is 1488.6 secs Computing kpt #: 179 total cpu time spent up to now is 1494.2 secs Computing kpt #: 180 total cpu time spent up to now is 1500.6 secs Computing kpt #: 181 total cpu time spent up to now is 1506.7 secs Computing kpt #: 182 total cpu time spent up to now is 1513.8 secs Computing kpt #: 183 total cpu time spent up to now is 1520.6 secs Computing kpt #: 184 total cpu time spent up to now is 1528.4 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1539.6 secs Computing kpt #: 186 total cpu time spent up to now is 1549.6 secs Computing kpt #: 187 total cpu time spent up to now is 1557.1 secs Computing kpt #: 188 total cpu time spent up to now is 1563.9 secs Computing kpt #: 189 total cpu time spent up to now is 1570.4 secs Computing kpt #: 190 total cpu time spent up to now is 1576.9 secs Computing kpt #: 191 total cpu time spent up to now is 1583.1 secs Computing kpt #: 192 total cpu time spent up to now is 1588.9 secs Computing kpt #: 193 total cpu time spent up to now is 1594.6 secs Computing kpt #: 194 total cpu time spent up to now is 1601.0 secs Computing kpt #: 195 total cpu time spent up to now is 1606.4 secs Computing kpt #: 196 total cpu time spent up to now is 1611.7 secs Computing kpt #: 197 total cpu time spent up to now is 1617.0 secs Computing kpt #: 198 total cpu time spent up to now is 1622.2 secs Computing kpt #: 199 total cpu time spent up to now is 1627.4 secs Computing kpt #: 200 total cpu time spent up to now is 1632.5 secs Computing kpt #: 201 total cpu time spent up to now is 1637.6 secs Computing kpt #: 202 total cpu time spent up to now is 1642.8 secs Computing kpt #: 203 total cpu time spent up to now is 1648.2 secs Computing kpt #: 204 total cpu time spent up to now is 1653.5 secs Computing kpt #: 205 total cpu time spent up to now is 1659.3 secs Computing kpt #: 206 total cpu time spent up to now is 1664.7 secs Computing kpt #: 207 total cpu time spent up to now is 1670.3 secs Computing kpt #: 208 total cpu time spent up to now is 1675.9 secs Computing kpt #: 209 total cpu time spent up to now is 1681.5 secs Computing kpt #: 210 total cpu time spent up to now is 1687.2 secs Computing kpt #: 211 total cpu time spent up to now is 1693.1 secs Computing kpt #: 212 total cpu time spent up to now is 1699.6 secs Computing kpt #: 213 total cpu time spent up to now is 1705.7 secs Computing kpt #: 214 total cpu time spent up to now is 1711.7 secs Computing kpt #: 215 total cpu time spent up to now is 1718.0 secs Computing kpt #: 216 total cpu time spent up to now is 1724.2 secs Computing kpt #: 217 total cpu time spent up to now is 1730.4 secs Computing kpt #: 218 total cpu time spent up to now is 1737.7 secs Computing kpt #: 219 total cpu time spent up to now is 1744.0 secs Computing kpt #: 220 total cpu time spent up to now is 1750.5 secs Computing kpt #: 221 total cpu time spent up to now is 1756.8 secs Computing kpt #: 222 total cpu time spent up to now is 1763.6 secs Computing kpt #: 223 total cpu time spent up to now is 1770.3 secs Computing kpt #: 224 total cpu time spent up to now is 1776.8 secs Computing kpt #: 225 total cpu time spent up to now is 1783.4 secs Computing kpt #: 226 total cpu time spent up to now is 1789.9 secs Computing kpt #: 227 total cpu time spent up to now is 1797.8 secs Computing kpt #: 228 total cpu time spent up to now is 1805.7 secs Computing kpt #: 229 total cpu time spent up to now is 1812.5 secs Computing kpt #: 230 total cpu time spent up to now is 1819.1 secs Computing kpt #: 231 total cpu time spent up to now is 1828.6 secs ethr = 1.43E-11, avg # of iterations = 67.9 total cpu time spent up to now is 1828.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5354 -7.5354 -6.3203 -6.3203 -6.3151 -6.3151 -6.3151 -6.3151 0.4151 0.4151 0.4151 0.4151 1.1859 1.1859 1.9719 1.9719 1.9719 1.9719 2.0070 2.0070 2.5781 2.5781 2.6189 2.6189 2.6189 2.6189 3.3041 3.3041 3.3041 3.3041 3.3067 3.3067 3.3938 3.3938 3.3938 3.3938 3.8572 3.8572 3.9725 3.9725 3.9725 3.9725 4.1068 4.1068 4.1068 4.1068 4.1807 4.1807 4.7414 4.7414 4.8404 4.8404 4.8404 4.8404 4.9677 4.9677 5.7157 5.7157 5.7157 5.7157 5.7971 5.7971 7.5053 7.5053 7.5053 7.5053 8.1477 8.1477 8.1813 8.1813 8.1813 8.1813 9.0187 9.0187 11.3886 11.3890 k = 0.0000 0.0167-0.0000 ( 5999 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5347 -7.5347 -6.3206 -6.3206 -6.3157 -6.3157 -6.3151 -6.3151 0.4157 0.4157 0.4162 0.4162 1.1867 1.1867 1.9709 1.9709 1.9725 1.9725 2.0069 2.0069 2.5776 2.5776 2.6179 2.6179 2.6188 2.6188 3.2943 3.2943 3.3044 3.3044 3.3058 3.3058 3.3929 3.3929 3.4044 3.4044 3.8572 3.8572 3.9680 3.9680 3.9769 3.9769 4.1040 4.1040 4.1100 4.1100 4.1807 4.1807 4.7413 4.7413 4.8372 4.8372 4.8431 4.8431 4.9676 4.9676 5.7145 5.7145 5.7161 5.7161 5.7966 5.7966 7.5054 7.5054 7.5059 7.5059 8.1467 8.1467 8.1791 8.1791 8.1814 8.1814 9.0257 9.0257 11.3872 11.3898 k = 0.0000 0.0333-0.0000 ( 5983 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5329 -7.5329 -6.3219 -6.3219 -6.3168 -6.3168 -6.3151 -6.3151 0.4177 0.4177 0.4194 0.4194 1.1891 1.1891 1.9689 1.9689 1.9733 1.9733 2.0065 2.0065 2.5758 2.5758 2.6151 2.6151 2.6181 2.6181 3.2718 3.2718 3.3037 3.3037 3.3050 3.3050 3.3938 3.3938 3.4251 3.4251 3.8570 3.8570 3.9632 3.9632 3.9810 3.9810 4.1010 4.1010 4.1141 4.1141 4.1802 4.1802 4.7409 4.7409 4.8331 4.8331 4.8453 4.8453 4.9671 4.9671 5.7108 5.7108 5.7169 5.7169 5.7951 5.7951 7.5058 7.5058 7.5073 7.5073 8.1429 8.1429 8.1736 8.1736 8.1817 8.1817 9.0461 9.0461 11.3814 11.3815 k = 0.0000 0.0500-0.0000 ( 5975 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5298 -7.5298 -6.3252 -6.3252 -6.3176 -6.3176 -6.3150 -6.3150 0.4209 0.4209 0.4247 0.4247 1.1930 1.1930 1.9652 1.9652 1.9747 1.9747 2.0061 2.0061 2.5725 2.5725 2.6105 2.6105 2.6170 2.6170 3.2436 3.2436 3.3025 3.3025 3.3037 3.3037 3.3956 3.3956 3.4499 3.4499 3.8565 3.8565 3.9583 3.9583 3.9850 3.9850 4.0972 4.0972 4.1194 4.1194 4.1796 4.1796 4.7401 4.7401 4.8280 4.8280 4.8473 4.8473 4.9663 4.9663 5.7045 5.7045 5.7182 5.7182 5.7930 5.7930 7.5063 7.5063 7.5097 7.5097 8.1338 8.1338 8.1683 8.1683 8.1821 8.1821 9.0789 9.0789 11.3724 11.3724 k = 0.0000 0.0667-0.0000 ( 5959 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5255 -7.5255 -6.3305 -6.3305 -6.3178 -6.3178 -6.3149 -6.3149 0.4255 0.4255 0.4321 0.4321 1.1985 1.1985 1.9596 1.9596 1.9766 1.9766 2.0063 2.0063 2.5673 2.5673 2.6049 2.6049 2.6153 2.6153 3.2126 3.2126 3.3009 3.3009 3.3019 3.3019 3.3979 3.3979 3.4762 3.4762 3.8559 3.8559 3.9533 3.9533 3.9890 3.9890 4.0925 4.0925 4.1256 4.1256 4.1792 4.1792 4.7387 4.7387 4.8219 4.8219 4.8493 4.8493 4.9652 4.9652 5.6952 5.6952 5.7199 5.7199 5.7906 5.7906 7.5069 7.5069 7.5130 7.5130 8.1186 8.1186 8.1655 8.1655 8.1827 8.1827 9.1226 9.1226 11.3609 11.3609 k = 0.0000 0.0833-0.0000 ( 5951 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5201 -7.5201 -6.3377 -6.3377 -6.3179 -6.3179 -6.3148 -6.3148 0.4313 0.4313 0.4416 0.4416 1.2054 1.2054 1.9517 1.9517 1.9790 1.9790 2.0071 2.0071 2.5598 2.5598 2.5987 2.5987 2.6133 2.6133 3.1798 3.1798 3.2988 3.2988 3.2997 3.2997 3.4009 3.4009 3.5028 3.5028 3.8549 3.8549 3.9486 3.9486 3.9931 3.9931 4.0865 4.0865 4.1325 4.1325 4.1791 4.1791 4.7365 4.7365 4.8148 4.8148 4.8516 4.8516 4.9637 4.9637 5.6827 5.6827 5.7221 5.7221 5.7884 5.7884 7.5073 7.5073 7.5172 7.5172 8.0992 8.0992 8.1646 8.1646 8.1834 8.1834 9.1756 9.1756 11.3479 11.3479 k = 0.0000 0.1000-0.0000 ( 5927 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8486 -31.8486 -31.8485 -31.8485 -7.5134 -7.5134 -6.3465 -6.3465 -6.3178 -6.3178 -6.3147 -6.3147 0.4384 0.4384 0.4531 0.4531 1.2140 1.2140 1.9416 1.9416 1.9818 1.9818 2.0088 2.0088 2.5493 2.5493 2.5927 2.5927 2.6107 2.6107 3.1457 3.1457 3.2963 3.2963 3.2971 3.2971 3.4044 3.4044 3.5295 3.5295 3.8536 3.8536 3.9443 3.9443 3.9972 3.9972 4.0795 4.0795 4.1396 4.1396 4.1801 4.1801 4.7334 4.7334 4.8067 4.8067 4.8543 4.8543 4.9621 4.9621 5.6670 5.6670 5.7247 5.7247 5.7867 5.7867 7.5075 7.5075 7.5221 7.5221 8.0777 8.0777 8.1647 8.1647 8.1841 8.1841 9.2365 9.2365 11.3340 11.3340 k = 0.0000 0.1167-0.0000 ( 5931 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8486 -31.8486 -31.8485 -31.8485 -7.5056 -7.5056 -6.3568 -6.3568 -6.3177 -6.3177 -6.3146 -6.3146 0.4466 0.4466 0.4667 0.4667 1.2240 1.2240 1.9291 1.9291 1.9851 1.9851 2.0111 2.0111 2.5358 2.5358 2.5869 2.5869 2.6078 2.6078 3.1103 3.1103 3.2934 3.2934 3.2941 3.2941 3.4083 3.4083 3.5559 3.5559 3.8519 3.8519 3.9405 3.9405 4.0014 4.0014 4.0714 4.0714 4.1460 4.1460 4.1825 4.1825 4.7293 4.7293 4.7978 4.7978 4.8576 4.8576 4.9602 4.9602 5.6484 5.6484 5.7276 5.7276 5.7854 5.7854 7.5072 7.5072 7.5278 7.5278 8.0559 8.0559 8.1653 8.1653 8.1847 8.1847 9.3040 9.3040 11.3201 11.3201 k = 0.0000 0.1333-0.0000 ( 5923 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8485 -31.8485 -7.4966 -7.4966 -6.3686 -6.3686 -6.3175 -6.3175 -6.3145 -6.3145 0.4560 0.4560 0.4822 0.4822 1.2356 1.2356 1.9146 1.9146 1.9889 1.9889 2.0141 2.0141 2.5195 2.5195 2.5816 2.5816 2.6045 2.6045 3.0738 3.0738 3.2901 3.2901 3.2908 3.2908 3.4128 3.4128 3.5821 3.5821 3.8497 3.8497 3.9374 3.9374 4.0057 4.0057 4.0624 4.0624 4.1511 4.1511 4.1870 4.1870 4.7241 4.7241 4.7880 4.7880 4.8614 4.8614 4.9581 4.9581 5.6270 5.6270 5.7307 5.7307 5.7846 5.7846 7.5062 7.5062 7.5340 7.5340 8.0347 8.0347 8.1661 8.1661 8.1853 8.1853 9.3769 9.3769 11.3066 11.3066 k = 0.0000 0.1500-0.0000 ( 5919 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8485 -31.8485 -7.4865 -7.4865 -6.3818 -6.3818 -6.3173 -6.3173 -6.3143 -6.3143 0.4665 0.4665 0.4996 0.4996 1.2487 1.2487 1.8980 1.8980 1.9931 1.9931 2.0178 2.0178 2.5007 2.5007 2.5764 2.5764 2.6007 2.6007 3.0362 3.0362 3.2864 3.2864 3.2872 3.2872 3.4175 3.4175 3.6079 3.6079 3.8471 3.8471 3.9350 3.9350 4.0097 4.0097 4.0529 4.0529 4.1547 4.1547 4.1936 4.1936 4.7179 4.7179 4.7776 4.7776 4.8658 4.8658 4.9560 4.9560 5.6034 5.6034 5.7340 5.7340 5.7843 5.7843 7.5044 7.5044 7.5408 7.5408 8.0149 8.0149 8.1669 8.1669 8.1858 8.1858 9.4545 9.4545 11.2940 11.2940 k = 0.0000 0.1667-0.0000 ( 5919 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8485 -31.8485 -7.4754 -7.4754 -6.3963 -6.3963 -6.3171 -6.3171 -6.3142 -6.3142 0.4780 0.4780 0.5188 0.5188 1.2632 1.2632 1.8794 1.8794 1.9977 1.9977 2.0219 2.0219 2.4799 2.4799 2.5712 2.5712 2.5967 2.5967 2.9976 2.9976 3.2824 3.2824 3.2833 3.2833 3.4225 3.4225 3.6334 3.6334 3.8442 3.8442 3.9334 3.9334 4.0129 4.0129 4.0437 4.0437 4.1571 4.1571 4.2018 4.2018 4.7107 4.7107 4.7667 4.7667 4.8707 4.8707 4.9537 4.9537 5.5778 5.5778 5.7375 5.7375 5.7842 5.7842 7.5017 7.5017 7.5480 7.5480 7.9969 7.9969 8.1677 8.1677 8.1861 8.1861 9.5357 9.5357 11.2826 11.2826 k = 0.0000 0.1833-0.0000 ( 5939 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8487 -31.8487 -31.8485 -31.8485 -7.4633 -7.4633 -6.4121 -6.4121 -6.3169 -6.3169 -6.3140 -6.3140 0.4905 0.4905 0.5398 0.5398 1.2792 1.2792 1.8591 1.8591 2.0027 2.0027 2.0265 2.0265 2.4572 2.4572 2.5658 2.5658 2.5922 2.5922 2.9581 2.9581 3.2782 3.2782 3.2793 3.2793 3.4278 3.4278 3.6583 3.6583 3.8412 3.8412 3.9323 3.9323 4.0133 4.0133 4.0369 4.0369 4.1586 4.1586 4.2108 4.2108 4.7027 4.7027 4.7554 4.7554 4.8759 4.8759 4.9515 4.9515 5.5506 5.5506 5.7410 5.7410 5.7845 5.7845 7.4980 7.4980 7.5556 7.5556 7.9811 7.9811 8.1684 8.1684 8.1862 8.1862 9.6201 9.6201 11.2726 11.2726 k = 0.0000 0.2000-0.0000 ( 5927 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8487 -31.8487 -31.8485 -31.8485 -7.4502 -7.4502 -6.4289 -6.4289 -6.3166 -6.3166 -6.3138 -6.3138 0.5039 0.5039 0.5625 0.5625 1.2966 1.2966 1.8371 1.8371 2.0080 2.0080 2.0314 2.0314 2.4331 2.4331 2.5604 2.5604 2.5876 2.5876 2.9178 2.9178 3.2738 3.2738 3.2750 3.2750 3.4334 3.4334 3.6826 3.6826 3.8383 3.8383 3.9318 3.9318 4.0084 4.0084 4.0354 4.0354 4.1599 4.1599 4.2203 4.2203 4.6941 4.6941 4.7439 4.7439 4.8815 4.8815 4.9493 4.9493 5.5223 5.5223 5.7445 5.7445 5.7850 5.7850 7.4932 7.4932 7.5634 7.5634 7.9675 7.9675 8.1689 8.1689 8.1860 8.1860 9.7068 9.7068 11.2642 11.2642 k = 0.0000 0.2167-0.0000 ( 5939 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8487 -31.8487 -31.8485 -31.8485 -7.4362 -7.4362 -6.4468 -6.4468 -6.3163 -6.3163 -6.3136 -6.3136 0.5180 0.5180 0.5868 0.5868 1.3154 1.3154 1.8134 1.8134 2.0135 2.0135 2.0367 2.0367 2.4078 2.4078 2.5549 2.5549 2.5826 2.5826 2.8766 2.8766 3.2692 3.2692 3.2707 3.2707 3.4390 3.4390 3.7059 3.7059 3.8358 3.8358 3.9319 3.9319 3.9993 3.9993 4.0379 4.0379 4.1609 4.1609 4.2295 4.2295 4.6850 4.6850 4.7322 4.7322 4.8872 4.8872 4.9472 4.9472 5.4931 5.4931 5.7480 5.7480 5.7856 5.7856 7.4875 7.4875 7.5713 7.5713 7.9563 7.9563 8.1692 8.1692 8.1855 8.1855 9.7953 9.7953 11.2574 11.2574 k = 0.0000 0.2333-0.0000 ( 5931 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8487 -31.8487 -31.8485 -31.8485 -7.4214 -7.4214 -6.4656 -6.4656 -6.3160 -6.3160 -6.3135 -6.3135 0.5328 0.5328 0.6126 0.6126 1.3355 1.3355 1.7883 1.7883 2.0194 2.0194 2.0423 2.0423 2.3815 2.3815 2.5492 2.5492 2.5776 2.5776 2.8348 2.8348 3.2646 3.2646 3.2662 3.2662 3.4447 3.4447 3.7277 3.7277 3.8343 3.8343 3.9324 3.9324 3.9888 3.9888 4.0420 4.0420 4.1619 4.1619 4.2383 4.2383 4.6756 4.6756 4.7207 4.7207 4.8931 4.8931 4.9454 4.9454 5.4634 5.4634 5.7514 5.7514 5.7865 5.7865 7.4810 7.4810 7.5792 7.5792 7.9472 7.9472 8.1692 8.1692 8.1847 8.1847 9.8851 9.8851 11.2523 11.2523 k = 0.0000 0.2500-0.0000 ( 5930 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8488 -31.8488 -31.8485 -31.8485 -7.4058 -7.4058 -6.4853 -6.4853 -6.3157 -6.3157 -6.3133 -6.3133 0.5481 0.5481 0.6398 0.6398 1.3568 1.3568 1.7618 1.7618 2.0254 2.0254 2.0481 2.0481 2.3546 2.3546 2.5434 2.5434 2.5723 2.5723 2.7925 2.7925 3.2599 3.2599 3.2617 3.2617 3.4504 3.4504 3.7471 3.7471 3.8350 3.8350 3.9331 3.9331 3.9779 3.9779 4.0467 4.0467 4.1628 4.1628 4.2464 4.2464 4.6661 4.6661 4.7093 4.7093 4.8989 4.8989 4.9439 4.9439 5.4333 5.4333 5.7547 5.7547 5.7874 5.7874 7.4738 7.4738 7.5871 7.5871 7.9402 7.9402 8.1690 8.1690 8.1837 8.1837 9.9755 9.9755 11.2487 11.2487 k = 0.0000 0.2667-0.0000 ( 5922 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8488 -31.8488 -31.8485 -31.8485 -7.3895 -7.3895 -6.5055 -6.5055 -6.3154 -6.3154 -6.3131 -6.3131 0.5639 0.5639 0.6684 0.6684 1.3793 1.3793 1.7340 1.7340 2.0315 2.0315 2.0540 2.0540 2.3273 2.3273 2.5375 2.5375 2.5670 2.5670 2.7499 2.7499 3.2552 3.2552 3.2572 3.2572 3.4561 3.4561 3.7625 3.7625 3.8392 3.8392 3.9341 3.9341 3.9673 3.9673 4.0514 4.0514 4.1638 4.1638 4.2536 4.2536 4.6567 4.6567 4.6982 4.6982 4.9047 4.9047 4.9429 4.9429 5.4032 5.4032 5.7579 5.7579 5.7884 5.7884 7.4661 7.4661 7.5949 7.5949 7.9349 7.9349 8.1685 8.1685 8.1824 8.1824 10.0660 10.0660 11.2466 11.2466 k = 0.0000 0.2833-0.0000 ( 5934 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8488 -31.8488 -31.8485 -31.8485 -7.3727 -7.3727 -6.5263 -6.5263 -6.3151 -6.3151 -6.3129 -6.3129 0.5799 0.5799 0.6981 0.6981 1.4029 1.4029 1.7052 1.7052 2.0376 2.0376 2.0599 2.0599 2.2999 2.2999 2.5314 2.5314 2.5615 2.5615 2.7071 2.7071 3.2506 3.2506 3.2527 3.2527 3.4618 3.4618 3.7724 3.7724 3.8483 3.8483 3.9353 3.9353 3.9571 3.9571 4.0561 4.0561 4.1647 4.1647 4.2597 4.2597 4.6474 4.6474 4.6874 4.6874 4.9105 4.9105 4.9423 4.9423 5.3733 5.3733 5.7607 5.7607 5.7894 5.7894 7.4581 7.4581 7.6024 7.6024 7.9311 7.9311 8.1678 8.1678 8.1808 8.1808 10.1560 10.1560 11.2457 11.2457 k = 0.0000 0.3000-0.0000 ( 5930 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8489 -31.8489 -31.8485 -31.8485 -7.3554 -7.3554 -6.5475 -6.5475 -6.3148 -6.3148 -6.3128 -6.3128 0.5961 0.5961 0.7288 0.7288 1.4273 1.4273 1.6754 1.6754 2.0438 2.0438 2.0659 2.0659 2.2727 2.2727 2.5252 2.5252 2.5561 2.5561 2.6644 2.6644 3.2462 3.2462 3.2483 3.2483 3.4672 3.4672 3.7772 3.7772 3.8620 3.8620 3.9366 3.9366 3.9479 3.9479 4.0607 4.0607 4.1657 4.1657 4.2646 4.2646 4.6386 4.6386 4.6772 4.6772 4.9160 4.9160 4.9425 4.9425 5.3438 5.3438 5.7635 5.7635 5.7905 5.7905 7.4501 7.4501 7.6096 7.6096 7.9285 7.9285 8.1668 8.1668 8.1790 8.1790 10.2449 10.2449 11.2459 11.2459 k = 0.0000 0.3167-0.0000 ( 5918 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8489 -31.8489 -31.8485 -31.8485 -7.3378 -7.3378 -6.5688 -6.5688 -6.3145 -6.3145 -6.3126 -6.3126 0.6121 0.6121 0.7605 0.7605 1.4523 1.4523 1.6449 1.6449 2.0500 2.0500 2.0719 2.0719 2.2459 2.2459 2.5187 2.5187 2.5508 2.5508 2.6224 2.6224 3.2419 3.2419 3.2440 3.2440 3.4726 3.4726 3.7783 3.7783 3.8779 3.8779 3.9382 3.9382 3.9401 3.9401 4.0650 4.0650 4.1666 4.1666 4.2681 4.2681 4.6301 4.6301 4.6674 4.6674 4.9213 4.9213 4.9437 4.9437 5.3149 5.3149 5.7660 5.7660 5.7917 5.7917 7.4421 7.4421 7.6165 7.6165 7.9270 7.9270 8.1657 8.1657 8.1770 8.1770 10.3320 10.3320 11.2469 11.2469 k = 0.0000 0.3333-0.0000 ( 5918 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8489 -31.8489 -31.8485 -31.8485 -7.3201 -7.3201 -6.5900 -6.5900 -6.3142 -6.3142 -6.3125 -6.3125 0.6279 0.6279 0.7928 0.7928 1.4775 1.4775 1.6142 1.6142 2.0560 2.0560 2.0777 2.0777 2.2200 2.2200 2.5113 2.5113 2.5456 2.5456 2.5819 2.5819 3.2378 3.2378 3.2399 3.2399 3.4777 3.4777 3.7774 3.7774 3.8925 3.8925 3.9350 3.9350 3.9408 3.9408 4.0690 4.0690 4.1676 4.1676 4.2701 4.2701 4.6221 4.6221 4.6582 4.6582 4.9259 4.9259 4.9461 4.9461 5.2865 5.2865 5.7682 5.7682 5.7929 5.7929 7.4344 7.4344 7.6230 7.6230 7.9263 7.9263 8.1645 8.1645 8.1749 8.1749 10.4166 10.4166 11.2485 11.2485 k = 0.0000 0.3500-0.0000 ( 5918 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8489 -31.8489 -31.8485 -31.8485 -7.3025 -7.3025 -6.6110 -6.6110 -6.3140 -6.3140 -6.3123 -6.3123 0.6432 0.6432 0.8257 0.8257 1.5015 1.5015 1.5845 1.5845 2.0618 2.0618 2.0833 2.0833 2.1953 2.1953 2.5008 2.5008 2.5405 2.5405 2.5454 2.5454 3.2340 3.2340 3.2361 3.2361 3.4826 3.4826 3.7755 3.7755 3.9008 3.9008 3.9347 3.9347 3.9461 3.9461 4.0727 4.0727 4.1685 4.1685 4.2706 4.2706 4.6148 4.6148 4.6497 4.6497 4.9298 4.9298 4.9502 4.9502 5.2589 5.2589 5.7702 5.7702 5.7941 5.7941 7.4271 7.4271 7.6290 7.6290 7.9261 7.9261 8.1632 8.1632 8.1727 8.1727 10.4980 10.4980 11.2502 11.2502 k = 0.0000 0.3667-0.0000 ( 5930 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8490 -31.8490 -31.8485 -31.8485 -7.2851 -7.2851 -6.6314 -6.6314 -6.3137 -6.3137 -6.3122 -6.3122 0.6577 0.6577 0.8589 0.8589 1.5177 1.5177 1.5624 1.5624 2.0673 2.0673 2.0886 2.0886 2.1719 2.1719 2.4803 2.4803 2.5206 2.5206 2.5358 2.5358 3.2305 3.2305 3.2324 3.2324 3.4870 3.4870 3.7731 3.7731 3.9008 3.9008 3.9369 3.9369 3.9578 3.9578 4.0759 4.0759 4.1693 4.1693 4.2696 4.2696 4.6080 4.6080 4.6419 4.6419 4.9328 4.9328 4.9561 4.9561 5.2322 5.2322 5.7719 5.7719 5.7953 5.7953 7.4203 7.4203 7.6345 7.6345 7.9264 7.9264 8.1618 8.1618 8.1706 8.1706 10.5754 10.5754 11.2518 11.2518 k = 0.0000 0.3833-0.0000 ( 5946 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8490 -31.8490 -31.8485 -31.8485 -7.2684 -7.2684 -6.6510 -6.6510 -6.3135 -6.3135 -6.3121 -6.3121 0.6713 0.6713 0.8920 0.8920 1.5050 1.5050 1.5688 1.5688 2.0723 2.0723 2.0935 2.0935 2.1503 2.1503 2.4485 2.4485 2.5091 2.5091 2.5313 2.5313 3.2273 3.2273 3.2291 3.2291 3.4912 3.4912 3.7706 3.7706 3.8971 3.8971 3.9386 3.9386 3.9741 3.9741 4.0786 4.0786 4.1701 4.1701 4.2673 4.2673 4.6020 4.6020 4.6349 4.6349 4.9351 4.9351 4.9637 4.9637 5.2065 5.2065 5.7734 5.7734 5.7964 5.7964 7.4142 7.4142 7.6394 7.6394 7.9269 7.9269 8.1605 8.1605 8.1684 8.1684 10.6478 10.6478 11.2529 11.2529 k = 0.0000 0.4000-0.0000 ( 5962 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8490 -31.8490 -31.8485 -31.8485 -7.2525 -7.2525 -6.6693 -6.6693 -6.3132 -6.3132 -6.3121 -6.3121 0.6837 0.6837 0.9246 0.9246 1.4770 1.4770 1.5900 1.5900 2.0770 2.0770 2.0979 2.0979 2.1309 2.1309 2.4146 2.4146 2.5025 2.5025 2.5272 2.5272 3.2245 3.2245 3.2261 3.2261 3.4949 3.4949 3.7681 3.7681 3.8928 3.8928 3.9397 3.9397 3.9916 3.9916 4.0806 4.0806 4.1708 4.1708 4.2639 4.2639 4.5967 4.5967 4.6287 4.6287 4.9370 4.9370 4.9726 4.9726 5.1817 5.1817 5.7747 5.7747 5.7974 5.7974 7.4087 7.4087 7.6437 7.6437 7.9276 7.9276 8.1592 8.1592 8.1664 8.1664 10.7145 10.7145 11.2533 11.2533 k = 0.0000 0.4167-0.0000 ( 5950 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8490 -31.8490 -31.8485 -31.8485 -7.2380 -7.2380 -6.6860 -6.6860 -6.3130 -6.3130 -6.3120 -6.3120 0.6948 0.6948 0.9562 0.9562 1.4472 1.4472 1.6124 1.6124 2.0810 2.0810 2.1018 2.1018 2.1139 2.1139 2.3824 2.3824 2.4978 2.4978 2.5237 2.5237 3.2221 3.2221 3.2235 3.2235 3.4982 3.4982 3.7659 3.7659 3.8887 3.8887 3.9406 3.9406 4.0088 4.0088 4.0821 4.0821 4.1715 4.1715 4.2597 4.2597 4.5923 4.5923 4.6234 4.6234 4.9386 4.9386 4.9830 4.9830 5.1580 5.1580 5.7757 5.7757 5.7983 5.7983 7.4040 7.4040 7.6474 7.6474 7.9284 7.9284 8.1581 8.1581 8.1646 8.1646 10.7743 10.7743 11.2528 11.2528 k = 0.0000 0.4333-0.0000 ( 5934 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8490 -31.8490 -31.8485 -31.8485 -7.2252 -7.2252 -6.7006 -6.7006 -6.3128 -6.3128 -6.3120 -6.3120 0.7041 0.7041 0.9859 0.9859 1.4186 1.4186 1.6333 1.6333 2.0844 2.0844 2.0995 2.0995 2.1054 2.1054 2.3536 2.3536 2.4941 2.4941 2.5207 2.5207 3.2201 3.2201 3.2213 3.2213 3.5009 3.5009 3.7640 3.7640 3.8852 3.8852 3.9413 3.9413 4.0251 4.0251 4.0827 4.0827 4.1722 4.1722 4.2550 4.2550 4.5886 4.5886 4.6190 4.6190 4.9400 4.9400 4.9946 4.9946 5.1354 5.1354 5.7766 5.7766 5.7991 5.7991 7.4001 7.4001 7.6505 7.6505 7.9291 7.9291 8.1572 8.1572 8.1630 8.1630 10.8262 10.8262 11.2514 11.2514 k = 0.0000 0.4500-0.0000 ( 5926 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.2145 -7.2145 -6.7127 -6.7127 -6.3127 -6.3127 -6.3119 -6.3119 0.7117 0.7117 1.0125 1.0125 1.3926 1.3926 1.6512 1.6512 2.0854 2.0854 2.0899 2.0899 2.1079 2.1079 2.3294 2.3294 2.4913 2.4913 2.5183 2.5183 3.2186 3.2186 3.2196 3.2196 3.5032 3.5032 3.7624 3.7624 3.8824 3.8824 3.9418 3.9418 4.0397 4.0397 4.0821 4.0821 4.1727 4.1727 4.2504 4.2504 4.5858 4.5858 4.6155 4.6155 4.9410 4.9410 5.0075 5.0075 5.1140 5.1140 5.7772 5.7772 5.7998 5.7998 7.3971 7.3971 7.6529 7.6529 7.9297 7.9297 8.1564 8.1564 8.1617 8.1617 10.8688 10.8688 11.2492 11.2492 k = 0.0000 0.4667-0.0000 ( 5926 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.2065 -7.2065 -6.7217 -6.7217 -6.3126 -6.3126 -6.3119 -6.3119 0.7172 0.7172 1.0343 1.0343 1.3713 1.3713 1.6650 1.6650 2.0789 2.0789 2.0902 2.0902 2.1098 2.1098 2.3111 2.3111 2.4893 2.4893 2.5166 2.5166 3.2175 3.2175 3.2183 3.2183 3.5048 3.5048 3.7612 3.7612 3.8803 3.8803 3.9422 3.9422 4.0524 4.0524 4.0802 4.0802 4.1732 4.1732 4.2464 4.2464 4.5837 4.5837 4.6130 4.6130 4.9417 4.9417 5.0215 5.0215 5.0939 5.0939 5.7777 5.7777 5.8003 5.8003 7.3948 7.3948 7.6546 7.6546 7.9301 7.9301 8.1558 8.1558 8.1608 8.1608 10.9008 10.9008 11.2468 11.2468 k = 0.0000 0.4833-0.0000 ( 5926 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.2015 -7.2015 -6.7273 -6.7273 -6.3125 -6.3125 -6.3119 -6.3119 0.7205 0.7205 1.0489 1.0489 1.3569 1.3569 1.6738 1.6738 2.0740 2.0740 2.0913 2.0913 2.1110 2.1110 2.2996 2.2996 2.4881 2.4881 2.5155 2.5155 3.2169 3.2169 3.2174 3.2174 3.5058 3.5058 3.7604 3.7604 3.8791 3.8791 3.9424 3.9424 4.0628 4.0628 4.0766 4.0766 4.1734 4.1734 4.2437 4.2437 4.5825 4.5825 4.6114 4.6114 4.9422 4.9422 5.0360 5.0360 5.0757 5.0757 5.7780 5.7780 5.8006 5.8006 7.3935 7.3935 7.6556 7.6556 7.9304 7.9304 8.1555 8.1555 8.1602 8.1602 10.9208 10.9208 11.2449 11.2449 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.1998 -7.1998 -6.7292 -6.7292 -6.3125 -6.3125 -6.3119 -6.3119 0.7217 0.7217 1.0541 1.0541 1.3518 1.3518 1.6768 1.6768 2.0724 2.0724 2.0917 2.0917 2.1115 2.1115 2.2957 2.2957 2.4877 2.4877 2.5152 2.5152 3.2167 3.2167 3.2171 3.2171 3.5061 3.5061 3.7602 3.7602 3.8787 3.8787 3.9425 3.9425 4.0699 4.0699 4.0719 4.0719 4.1735 4.1735 4.2428 4.2428 4.5821 4.5821 4.6109 4.6109 4.9424 4.9424 5.0461 5.0461 5.0645 5.0645 5.7781 5.7781 5.8007 5.8007 7.3931 7.3931 7.6560 7.6560 7.9305 7.9305 8.1554 8.1554 8.1600 8.1600 10.9276 10.9276 11.2442 11.2442 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.1998 -7.1998 -6.7292 -6.7292 -6.3125 -6.3125 -6.3119 -6.3119 0.7217 0.7217 1.0541 1.0541 1.3518 1.3518 1.6768 1.6768 2.0724 2.0724 2.0917 2.0917 2.1115 2.1115 2.2957 2.2957 2.4877 2.4877 2.5152 2.5152 3.2167 3.2167 3.2171 3.2171 3.5061 3.5061 3.7602 3.7602 3.8787 3.8787 3.9425 3.9425 4.0699 4.0699 4.0719 4.0719 4.1735 4.1735 4.2428 4.2428 4.5821 4.5821 4.6109 4.6109 4.9424 4.9424 5.0461 5.0461 5.0645 5.0645 5.7781 5.7781 5.8007 5.8007 7.3931 7.3931 7.6560 7.6560 7.9305 7.9305 8.1554 8.1554 8.1600 8.1600 10.9276 10.9276 11.2442 11.2442 k = 0.0167 0.5000-0.0000 ( 5922 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.1993 -7.1993 -6.7290 -6.7290 -6.3130 -6.3128 -6.3123 -6.3122 0.7219 0.7225 1.0540 1.0542 1.3514 1.3519 1.6767 1.6773 2.0716 2.0728 2.0903 2.0926 2.1111 2.1111 2.2959 2.2965 2.4873 2.4874 2.5146 2.5150 3.2138 3.2145 3.2161 3.2162 3.5072 3.5076 3.7586 3.7618 3.8751 3.8821 3.9296 3.9564 4.0637 4.0671 4.0725 4.0800 4.1659 4.1844 4.2397 4.2465 4.5754 4.5845 4.6043 4.6162 4.9403 4.9512 5.0434 5.0470 5.0604 5.0696 5.7745 5.7803 5.7997 5.8001 7.3934 7.3948 7.6557 7.6564 7.9308 7.9320 8.1547 8.1556 8.1596 8.1606 10.9290 10.9294 11.2460 11.2481 k = 0.0333 0.5000-0.0000 ( 5922 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.1978 -7.1977 -6.7283 -6.7283 -6.3146 -6.3144 -6.3130 -6.3129 0.7233 0.7245 1.0540 1.0545 1.3506 1.3517 1.6772 1.6783 2.0706 2.0730 2.0884 2.0928 2.1102 2.1102 2.2971 2.2983 2.4861 2.4861 2.5133 2.5141 3.2076 3.2084 3.2115 3.2125 3.5107 3.5115 3.7570 3.7632 3.8717 3.8851 3.9184 3.9712 4.0580 4.0628 4.0717 4.0905 4.1622 4.1976 4.2375 4.2514 4.5622 4.5846 4.5999 4.6175 4.9457 4.9651 5.0393 5.0462 5.0573 5.0763 5.7694 5.7811 5.7974 5.7981 7.3957 7.3985 7.6555 7.6570 7.9329 7.9352 8.1530 8.1540 8.1603 8.1629 10.9336 10.9342 11.2536 11.2579 k = 0.0500 0.5000-0.0000 ( 5920 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.1952 -7.1951 -6.7272 -6.7272 -6.3174 -6.3171 -6.3141 -6.3140 0.7258 0.7276 1.0540 1.0548 1.3495 1.3511 1.6782 1.6799 2.0694 2.0726 2.0862 2.0925 2.1087 2.1087 2.2992 2.3010 2.4840 2.4841 2.5111 2.5127 3.1984 3.1991 3.2034 3.2055 3.5164 3.5175 3.7557 3.7644 3.8688 3.8865 3.9098 3.9863 4.0535 4.0584 4.0685 4.1027 4.1620 4.2110 4.2371 4.2578 4.5436 4.5827 4.5981 4.6147 4.9578 4.9813 5.0344 5.0438 5.0549 5.0855 5.7629 5.7805 5.7939 5.7948 7.3999 7.4041 7.6556 7.6577 7.9366 7.9400 8.1491 8.1503 8.1631 8.1673 10.9412 10.9421 11.2670 11.2734 k = 0.0667 0.5000-0.0000 ( 5928 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.1916 -7.1914 -6.7256 -6.7256 -6.3213 -6.3210 -6.3155 -6.3154 0.7293 0.7317 1.0542 1.0551 1.3480 1.3501 1.6797 1.6820 2.0678 2.0716 2.0838 2.0917 2.1068 2.1068 2.3023 2.3047 2.4807 2.4815 2.5082 2.5109 3.1863 3.1869 3.1923 3.1957 3.5238 3.5253 3.7547 3.7653 3.8663 3.8849 3.9054 4.0013 4.0501 4.0544 4.0638 4.1164 4.1644 4.2194 4.2433 4.2661 4.5221 4.5776 4.5978 4.6098 4.9733 4.9970 5.0295 5.0400 5.0545 5.0985 5.7550 5.7782 5.7896 5.7906 7.4060 7.4116 7.6559 7.6587 7.9417 7.9462 8.1436 8.1451 8.1675 8.1732 10.9518 10.9531 11.2862 11.2946 k = 0.0833 0.5000-0.0000 ( 5924 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8485 -31.8485 -7.1869 -7.1867 -6.7236 -6.7236 -6.3264 -6.3260 -6.3173 -6.3172 0.7340 0.7370 1.0543 1.0555 1.3462 1.3487 1.6819 1.6847 2.0657 2.0695 2.0816 2.0904 2.1045 2.1046 2.3062 2.3092 2.4763 2.4781 2.5046 2.5087 3.1716 3.1722 3.1786 3.1834 3.5326 3.5342 3.7541 3.7659 3.8644 3.8804 3.9051 4.0154 4.0477 4.0512 4.0586 4.1314 4.1684 4.2199 4.2582 4.2767 4.4990 4.5680 4.5983 4.6058 4.9858 5.0096 5.0259 5.0349 5.0598 5.1166 5.7458 5.7736 5.7848 5.7866 7.4138 7.4209 7.6567 7.6600 7.9480 7.9536 8.1369 8.1387 8.1735 8.1804 10.9654 10.9669 11.3109 11.3214 k = 0.1000 0.5000-0.0000 ( 5924 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8485 -31.8485 -7.1813 -7.1811 -6.7212 -6.7212 -6.3325 -6.3320 -6.3195 -6.3195 0.7397 0.7432 1.0546 1.0560 1.3438 1.3469 1.6847 1.6881 2.0631 2.0665 2.0794 2.0888 2.1022 2.1023 2.3108 2.3146 2.4708 2.4739 2.5004 2.5063 3.1545 3.1554 3.1629 3.1689 3.5423 3.5440 3.7540 3.7664 3.8632 3.8752 3.9067 4.0264 4.0474 4.0487 4.0542 4.1474 4.1733 4.2176 4.2769 4.2896 4.4754 4.5540 4.5993 4.6035 4.9886 5.0170 5.0227 5.0293 5.0768 5.1402 5.7352 5.7663 5.7800 5.7836 7.4232 7.4316 7.6580 7.6618 7.9550 7.9616 8.1295 8.1317 8.1806 8.1887 10.9818 10.9836 11.3412 11.3536 k = 0.1167 0.5000-0.0000 ( 5928 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1747 -7.1744 -6.7184 -6.7184 -6.3396 -6.3391 -6.3221 -6.3221 0.7464 0.7505 1.0549 1.0565 1.3410 1.3446 1.6883 1.6922 2.0598 2.0624 2.0771 2.0871 2.0997 2.1002 2.3162 2.3207 2.4642 2.4689 2.4957 2.5037 3.1353 3.1369 3.1456 3.1527 3.5524 3.5541 3.7543 3.7668 3.8627 3.8706 3.9088 4.0301 4.0473 4.0506 4.0533 4.1635 4.1790 4.2146 4.2969 4.3048 4.4517 4.5370 4.6010 4.6024 4.9834 5.0162 5.0178 5.0263 5.1043 5.1680 5.7232 5.7566 5.7759 5.7817 7.4340 7.4438 7.6600 7.6642 7.9621 7.9697 8.1222 8.1248 8.1888 8.1980 11.0008 11.0029 11.3768 11.3910 k = 0.1333 0.5000-0.0000 ( 5926 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1671 -7.1668 -6.7152 -6.7151 -6.3478 -6.3472 -6.3251 -6.3250 0.7541 0.7586 1.0552 1.0570 1.3377 1.3417 1.6926 1.6970 2.0558 2.0576 2.0745 2.0855 2.0973 2.0985 2.3222 2.3274 2.4564 2.4628 2.4908 2.5010 3.1144 3.1169 3.1271 3.1350 3.5625 3.5643 3.7552 3.7673 3.8629 3.8670 3.9113 4.0281 4.0467 4.0486 4.0627 4.1784 4.1859 4.2129 4.3175 4.3218 4.4285 4.5185 4.6021 4.6031 4.9745 5.0083 5.0111 5.0258 5.1374 5.1983 5.7100 5.7450 5.7731 5.7811 7.4460 7.4571 7.6629 7.6674 7.9684 7.9767 8.1160 8.1189 8.1979 8.2080 11.0224 11.0247 11.4176 11.4334 k = 0.1500 0.5000-0.0000 ( 5938 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1586 -7.1583 -6.7116 -6.7115 -6.3569 -6.3563 -6.3284 -6.3283 0.7627 0.7677 1.0556 1.0575 1.3338 1.3382 1.6978 1.7027 2.0509 2.0521 2.0714 2.0839 2.0950 2.0973 2.3288 2.3347 2.4475 2.4557 2.4857 2.4981 3.0920 3.0958 3.1075 3.1161 3.5723 3.5742 3.7566 3.7682 3.8638 3.8643 3.9140 4.0245 4.0469 4.0469 4.0722 4.1873 4.1941 4.2168 4.3378 4.3404 4.4063 4.4990 4.6020 4.6058 4.9636 4.9981 5.0027 5.0237 5.1729 5.2296 5.6956 5.7319 5.7724 5.7821 7.4589 7.4711 7.6668 7.6716 7.9728 7.9814 8.1122 8.1151 8.2076 8.2186 11.0463 11.0487 11.4633 11.4807 k = 0.1667 0.5000-0.0000 ( 5932 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1492 -7.1488 -6.7076 -6.7075 -6.3670 -6.3664 -6.3321 -6.3320 0.7722 0.7776 1.0560 1.0581 1.3292 1.3340 1.7039 1.7093 2.0453 2.0462 2.0680 2.0825 2.0929 2.0966 2.3359 2.3425 2.4377 2.4474 2.4808 2.4951 3.0687 3.0740 3.0870 3.0962 3.5816 3.5837 3.7585 3.7696 3.8626 3.8654 3.9171 4.0209 4.0453 4.0480 4.0805 4.1873 4.2042 4.2295 4.3556 4.3601 4.3875 4.4794 4.6022 4.6090 4.9515 4.9866 4.9930 5.0195 5.2088 5.2605 5.6802 5.7175 5.7746 5.7852 7.4724 7.4857 7.6720 7.6770 7.9741 7.9825 8.1122 8.1147 8.2179 8.2295 11.0723 11.0748 11.5136 11.5323 k = 0.1833 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1390 -7.1385 -6.7033 -6.7032 -6.3780 -6.3773 -6.3361 -6.3360 0.7825 0.7884 1.0564 1.0586 1.3239 1.3290 1.7111 1.7169 2.0391 2.0399 2.0645 2.0813 2.0911 2.0962 2.3434 2.3506 2.4270 2.4380 2.4759 2.4920 3.0448 3.0516 3.0657 3.0754 3.5902 3.5925 3.7609 3.7716 3.8616 3.8676 3.9204 4.0177 4.0437 4.0497 4.0874 4.1828 4.2159 4.2462 4.3548 4.3806 4.3877 4.4597 4.6025 4.6128 4.9386 4.9739 4.9820 5.0132 5.2439 5.2898 5.6640 5.7020 5.7804 5.7910 7.4861 7.5005 7.6786 7.6839 7.9715 7.9791 8.1169 8.1185 8.2284 8.2406 11.1000 11.1027 11.5681 11.5878 k = 0.2000 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1279 -7.1274 -6.6987 -6.6986 -6.3899 -6.3891 -6.3403 -6.3402 0.7936 0.7998 1.0569 1.0592 1.3179 1.3233 1.7193 1.7256 2.0323 2.0332 2.0612 2.0801 2.0897 2.0962 2.3512 2.3589 2.4156 2.4275 2.4713 2.4889 3.0205 3.0288 3.0438 3.0540 3.5979 3.6006 3.7635 3.7744 3.8612 3.8701 3.9242 4.0148 4.0421 4.0519 4.0932 4.1767 4.2292 4.2641 4.3376 4.4011 4.4051 4.4408 4.6028 4.6172 4.9250 4.9603 4.9699 5.0049 5.2772 5.3166 5.6470 5.6856 5.7904 5.8001 7.4998 7.5149 7.6870 7.6925 7.9651 7.9716 8.1260 8.1265 8.2391 8.2518 11.1294 11.1320 11.6263 11.6466 k = 0.2167 0.5000-0.0000 ( 5938 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8491 -31.8491 -31.8487 -31.8487 -7.1160 -7.1155 -6.6938 -6.6937 -6.4025 -6.4017 -6.3449 -6.3448 0.8055 0.8120 1.0573 1.0597 1.3111 1.3167 1.7287 1.7353 2.0252 2.0261 2.0582 2.0791 2.0888 2.0963 2.3590 2.3665 2.4042 2.4163 2.4669 2.4858 2.9962 3.0060 3.0214 3.0320 3.6047 3.6080 3.7666 3.7780 3.8611 3.8730 3.9285 4.0121 4.0409 4.0545 4.0983 4.1698 4.2436 4.2823 4.3192 4.4149 4.4241 4.4293 4.6033 4.6222 4.9109 4.9459 4.9565 4.9947 5.3076 5.3402 5.6296 5.6686 5.8051 5.8130 7.5131 7.5287 7.6970 7.7029 7.9556 7.9609 8.1379 8.1385 8.2497 8.2628 11.1599 11.1625 11.6872 11.7075 k = 0.2333 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8491 -31.8491 -31.8487 -31.8487 -7.1035 -7.1029 -6.6886 -6.6886 -6.4159 -6.4151 -6.3497 -6.3495 0.8180 0.8248 1.0578 1.0603 1.3035 1.3092 1.7393 1.7463 2.0179 2.0189 2.0556 2.0782 2.0883 2.0966 2.3661 2.3710 2.3954 2.4050 2.4628 2.4828 2.9720 2.9833 2.9985 3.0096 3.6106 3.6147 3.7699 3.7823 3.8613 3.8758 3.9334 4.0091 4.0404 4.0575 4.1030 4.1623 4.2588 4.3006 4.3017 4.4008 4.4427 4.4465 4.6038 4.6278 4.8964 4.9308 4.9421 4.9827 5.3347 5.3602 5.6120 5.6511 5.8244 5.8298 7.5256 7.5415 7.7090 7.7154 7.9439 7.9481 8.1519 8.1534 8.2602 8.2735 11.1913 11.1938 11.7494 11.7685 k = 0.2500 0.5000-0.0000 ( 5916 PWs) bands (ev): -58.2392 -58.2392 -32.6733 -32.6733 -31.8491 -31.8491 -31.8487 -31.8487 -7.0902 -7.0896 -6.6833 -6.6832 -6.4300 -6.4291 -6.3546 -6.3545 0.8312 0.8381 1.0583 1.0608 1.2950 1.3008 1.7512 1.7585 2.0104 2.0115 2.0537 2.0776 2.0882 2.0971 2.3658 2.3699 2.3957 2.3964 2.4589 2.4798 2.9481 2.9608 2.9755 2.9868 3.6158 3.6207 3.7736 3.7873 3.8617 3.8786 3.9389 4.0057 4.0412 4.0607 4.1075 4.1544 4.2744 4.2856 4.3187 4.3836 4.4605 4.4673 4.6044 4.6339 4.8817 4.9151 4.9267 4.9690 5.3579 5.3766 5.5944 5.6333 5.8481 5.8507 7.5372 7.5530 7.7229 7.7299 7.9309 7.9342 8.1677 8.1698 8.2704 8.2838 11.2231 11.2255 11.8096 11.8249 k = 0.2667 0.5000-0.0000 ( 5940 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8492 -31.8492 -31.8487 -31.8487 -7.0764 -7.0758 -6.6778 -6.6777 -6.4446 -6.4438 -6.3598 -6.3597 0.8450 0.8520 1.0587 1.0612 1.2856 1.2914 1.7643 1.7718 2.0029 2.0040 2.0524 2.0773 2.0883 2.0975 2.3530 2.3641 2.3966 2.4026 2.4553 2.4771 2.9245 2.9387 2.9524 2.9639 3.6201 3.6260 3.7774 3.7927 3.8621 3.8809 3.9448 4.0014 4.0432 4.0638 4.1119 4.1462 4.2709 4.2896 4.3366 4.3676 4.4772 4.4880 4.6051 4.6404 4.8665 4.8988 4.9105 4.9536 5.3773 5.3897 5.5770 5.6153 5.8753 5.8754 7.5478 7.5632 7.7384 7.7462 7.9173 7.9196 8.1844 8.1870 8.2801 8.2936 11.2551 11.2573 11.8591 11.8659 k = 0.2833 0.5000-0.0000 ( 5948 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8492 -31.8492 -31.8487 -31.8487 -7.0620 -7.0614 -6.6721 -6.6721 -6.4598 -6.4589 -6.3651 -6.3650 0.8593 0.8663 1.0591 1.0616 1.2753 1.2810 1.7787 1.7864 1.9954 1.9965 2.0518 2.0773 2.0888 2.0979 2.3377 2.3510 2.4033 2.4112 2.4520 2.4746 2.9016 2.9171 2.9293 2.9410 3.6240 3.6307 3.7815 3.7983 3.8625 3.8828 3.9511 3.9966 4.0464 4.0665 4.1165 4.1382 4.2580 4.3028 4.3543 4.3545 4.4927 4.5082 4.6060 4.6472 4.8513 4.8821 4.8936 4.9369 5.3931 5.3999 5.5600 5.5974 5.9030 5.9055 7.5572 7.5721 7.7554 7.7640 7.9037 7.9051 8.2018 8.2047 8.2894 8.3027 11.2868 11.2887 11.8757 11.8793 k = 0.3000 0.5000-0.0000 ( 5958 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8492 -31.8492 -31.8487 -31.8487 -7.0472 -7.0466 -6.6664 -6.6663 -6.4754 -6.4744 -6.3705 -6.3703 0.8741 0.8811 1.0596 1.0620 1.2642 1.2697 1.7944 1.8023 1.9881 1.9892 2.0519 2.0776 2.0895 2.0984 2.3211 2.3352 2.4119 2.4198 2.4491 2.4728 2.8793 2.8961 2.9067 2.9182 3.6274 3.6348 3.7859 3.8042 3.8628 3.8841 3.9577 3.9916 4.0504 4.0685 4.1213 4.1307 4.2469 4.3084 4.3501 4.3718 4.5073 4.5277 4.6071 4.6540 4.8359 4.8652 4.8762 4.9190 5.4057 5.4078 5.5437 5.5798 5.9329 5.9374 7.5657 7.5798 7.7733 7.7830 7.8906 7.8910 8.2192 8.2222 8.2980 8.3110 11.3178 11.3194 11.8552 11.8629 k = 0.3167 0.5000-0.0000 ( 5950 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8492 -31.8492 -31.8487 -31.8487 -7.0321 -7.0315 -6.6606 -6.6606 -6.4912 -6.4903 -6.3759 -6.3757 0.8894 0.8963 1.0600 1.0623 1.2523 1.2575 1.8114 1.8194 1.9810 1.9821 2.0527 2.0782 2.0904 2.0989 2.3036 2.3180 2.4209 2.4277 2.4469 2.4719 2.8578 2.8758 2.8846 2.8958 3.6305 3.6386 3.7905 3.8100 3.8630 3.8848 3.9646 3.9865 4.0547 4.0689 4.1246 4.1266 4.2377 4.3020 4.3588 4.3892 4.5208 4.5462 4.6084 4.6606 4.8204 4.8481 4.8587 4.9003 5.4138 5.4156 5.5282 5.5627 5.9641 5.9700 7.5731 7.5863 7.7916 7.8025 7.8776 7.8784 8.2364 8.2395 8.3059 8.3186 11.3478 11.3489 11.8200 11.8273 k = 0.3333 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8492 -31.8492 -31.8487 -31.8487 -7.0168 -7.0162 -6.6549 -6.6549 -6.5072 -6.5063 -6.3812 -6.3811 0.9051 0.9118 1.0603 1.0626 1.2396 1.2444 1.8296 1.8376 1.9743 1.9753 2.0542 2.0790 2.0916 2.0994 2.2853 2.2997 2.4294 2.4343 2.4458 2.4727 2.8372 2.8563 2.8632 2.8739 3.6334 3.6419 3.7953 3.8157 3.8631 3.8849 3.9715 3.9817 4.0588 4.0669 4.1210 4.1323 4.2301 4.2901 4.3741 4.4064 4.5333 4.5635 4.6101 4.6665 4.8047 4.8310 4.8414 4.8811 5.4185 5.4232 5.5139 5.5462 5.9958 6.0026 7.5797 7.5919 7.8091 7.8216 7.8657 7.8683 8.2531 8.2561 8.3131 8.3253 11.3762 11.3770 11.7795 11.7857 k = 0.3500 0.5000-0.0000 ( 5962 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8492 -31.8492 -31.8488 -31.8487 -7.0015 -7.0008 -6.6494 -6.6493 -6.5232 -6.5223 -6.3865 -6.3864 0.9212 0.9276 1.0607 1.0628 1.2261 1.2305 1.8490 1.8569 1.9680 1.9689 2.0561 2.0798 2.0931 2.0998 2.2662 2.2806 2.4346 2.4386 2.4484 2.4756 2.8175 2.8376 2.8430 2.8528 3.6360 3.6447 3.8003 3.8212 3.8630 3.8844 3.9772 3.9784 4.0621 4.0622 4.1202 4.1384 4.2240 4.2769 4.3916 4.4235 4.5452 4.5793 4.6122 4.6713 4.7889 4.8141 4.8244 4.8615 5.4220 5.4291 5.5007 5.5304 6.0270 6.0341 7.5855 7.5967 7.8231 7.8372 7.8581 7.8626 8.2689 8.2717 8.3195 8.3310 11.4029 11.4032 11.7381 11.7430 k = 0.3667 0.5000-0.0000 ( 5960 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9863 -6.9857 -6.6440 -6.6440 -6.5390 -6.5381 -6.3916 -6.3915 0.9376 0.9436 1.0610 1.0630 1.2120 1.2158 1.8694 1.8771 1.9622 1.9630 2.0586 2.0807 2.0948 2.1003 2.2464 2.2607 2.4355 2.4406 2.4556 2.4807 2.7991 2.8200 2.8240 2.8326 3.6385 3.6472 3.8055 3.8264 3.8628 3.8833 3.9735 3.9851 4.0552 4.0647 4.1222 4.1450 4.2193 4.2638 4.4102 4.4405 4.5563 4.5928 4.6154 4.6744 4.7731 4.7978 4.8083 4.8420 5.4247 5.4335 5.4891 5.5157 6.0569 6.0641 7.5907 7.6007 7.8277 7.8371 7.8667 7.8668 8.2838 8.2863 8.3252 8.3359 11.4274 11.4274 11.6979 11.7017 k = 0.3833 0.5000-0.0000 ( 5956 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9715 -6.9709 -6.6389 -6.6389 -6.5543 -6.5534 -6.3964 -6.3963 0.9542 0.9599 1.0613 1.0632 1.1973 1.2005 1.8907 1.8982 1.9570 1.9576 2.0613 2.0816 2.0966 2.1007 2.2259 2.2401 2.4349 2.4409 2.4646 2.4872 2.7821 2.8035 2.8065 2.8137 3.6409 3.6493 3.8108 3.8313 3.8623 3.8818 3.9706 3.9913 4.0470 4.0659 4.1261 4.1520 4.2156 4.2512 4.4295 4.4575 4.5669 4.6022 4.6211 4.6751 4.7574 4.7825 4.7934 4.8231 5.4267 5.4368 5.4791 5.5020 6.0849 6.0918 7.5952 7.6040 7.8241 7.8294 7.8796 7.8831 8.2974 8.2995 8.3301 8.3398 11.4492 11.4495 11.6602 11.6631 k = 0.4000 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9573 -6.9567 -6.6342 -6.6342 -6.5690 -6.5681 -6.4009 -6.4008 0.9711 0.9763 1.0616 1.0633 1.1820 1.1847 1.9127 1.9198 1.9526 1.9529 2.0643 2.0823 2.0986 2.1010 2.2049 2.2190 2.4340 2.4402 2.4739 2.4942 2.7668 2.7884 2.7908 2.7961 3.6432 3.6510 3.8161 3.8357 3.8618 3.8798 3.9687 3.9968 4.0389 4.0660 4.1313 4.1590 4.2127 4.2392 4.4493 4.4743 4.5770 4.6066 4.6297 4.6727 4.7422 4.7690 4.7800 4.8050 5.4280 5.4392 5.4708 5.4895 6.1103 6.1166 7.5991 7.6067 7.8183 7.8216 7.8945 7.8991 8.3096 8.3112 8.3345 8.3429 11.4684 11.4690 11.6259 11.6281 k = 0.4167 0.5000-0.0000 ( 5956 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9441 -6.9435 -6.6301 -6.6300 -6.5825 -6.5817 -6.4050 -6.4049 0.9882 0.9929 1.0618 1.0633 1.1664 1.1684 1.9349 1.9401 1.9494 1.9507 2.0672 2.0828 2.1006 2.1011 2.1833 2.1974 2.4333 2.4391 2.4829 2.5009 2.7536 2.7749 2.7769 2.7802 3.6454 3.6523 3.8214 3.8397 3.8610 3.8774 3.9677 4.0006 4.0323 4.0648 4.1374 4.1658 4.2103 4.2280 4.4694 4.4911 4.5865 4.6076 4.6390 4.6666 4.7281 4.7577 4.7684 4.7881 5.4289 5.4408 5.4643 5.4786 6.1328 6.1383 7.6025 7.6089 7.8126 7.8149 7.9088 7.9136 8.3201 8.3211 8.3383 8.3452 11.4850 11.4857 11.5958 11.5974 k = 0.4333 0.5000-0.0000 ( 5948 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9322 -6.9317 -6.6266 -6.6265 -6.5945 -6.5938 -6.4084 -6.4084 1.0054 1.0094 1.0621 1.0634 1.1505 1.1518 1.9435 1.9440 1.9599 1.9665 2.0700 2.0831 2.1010 2.1026 2.1613 2.1758 2.4328 2.4378 2.4913 2.5067 2.7429 2.7630 2.7651 2.7663 3.6474 3.6532 3.8265 3.8430 3.8603 3.8748 3.9679 4.0009 4.0293 4.0625 4.1441 4.1720 4.2082 4.2176 4.4899 4.5077 4.5948 4.6058 4.6471 4.6572 4.7161 4.7486 4.7590 4.7731 5.4296 5.4415 5.4596 5.4692 6.1518 6.1564 7.6054 7.6105 7.8078 7.8093 7.9216 7.9259 8.3289 8.3291 8.3417 8.3468 11.4986 11.4994 11.5705 11.5716 k = 0.4500 0.5000-0.0000 ( 5944 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9222 -6.9218 -6.6239 -6.6237 -6.6045 -6.6038 -6.4113 -6.4112 1.0224 1.0257 1.0624 1.0635 1.1346 1.1351 1.9414 1.9418 1.9824 1.9884 2.0724 2.0833 2.1003 2.1043 2.1393 2.1547 2.4325 2.4365 2.4989 2.5112 2.7350 2.7522 2.7555 2.7556 3.6492 3.6537 3.8314 3.8453 3.8598 3.8720 3.9693 3.9972 4.0307 4.0592 4.1512 4.1772 4.2062 4.2084 4.5104 4.5240 4.6004 4.6012 4.6467 4.6527 4.7075 4.7403 4.7520 4.7608 5.4301 5.4412 5.4565 5.4620 6.1670 6.1706 7.6077 7.6116 7.8039 7.8050 7.9322 7.9357 8.3349 8.3357 8.3449 8.3479 11.5094 11.5102 11.5503 11.5510 k = 0.4667 0.5000-0.0000 ( 5932 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9145 -6.9142 -6.6224 -6.6222 -6.6116 -6.6110 -6.4134 -6.4133 1.0389 1.0413 1.0627 1.0638 1.1188 1.1189 1.9397 1.9399 2.0047 2.0096 2.0745 2.0833 2.0985 2.1052 2.1187 2.1354 2.4325 2.4353 2.5054 2.5140 2.7302 2.7426 2.7483 2.7486 3.6508 3.6539 3.8359 3.8462 3.8602 3.8692 3.9718 3.9915 4.0348 4.0552 4.1586 4.1803 4.2013 4.2040 4.5309 4.5400 4.5937 4.5993 4.6402 4.6543 4.7041 4.7314 4.7475 4.7526 5.4310 5.4398 5.4546 5.4571 6.1783 6.1807 7.6096 7.6122 7.8012 7.8019 7.9402 7.9427 8.3389 8.3403 8.3476 8.3489 11.5171 11.5177 11.5358 11.5362 k = 0.4833 0.5000-0.0000 ( 5928 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9097 -6.9095 -6.6223 -6.6222 -6.6151 -6.6147 -6.4146 -6.4146 1.0531 1.0541 1.0638 1.0651 1.1041 1.1047 1.9386 1.9387 2.0242 2.0272 2.0761 2.0831 2.0943 2.0966 2.1103 2.1207 2.4329 2.4343 2.5104 2.5149 2.7287 2.7351 2.7440 2.7442 3.6520 3.6536 3.8399 3.8454 3.8616 3.8664 3.9754 3.9855 4.0399 4.0504 4.1661 4.1789 4.1984 4.2017 4.5508 4.5550 4.5836 4.5886 4.6414 4.6517 4.7064 4.7217 4.7455 4.7479 5.4325 5.4374 5.4536 5.4545 6.1853 6.1866 7.6110 7.6123 7.7996 7.7999 7.9454 7.9467 8.3413 8.3424 8.3495 8.3497 11.5213 11.5218 11.5275 11.5275 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9079 -6.9079 -6.6227 -6.6227 -6.6157 -6.6157 -6.4151 -6.4151 1.0585 1.0585 1.0670 1.0670 1.0970 1.0970 1.9383 1.9383 2.0343 2.0343 2.0795 2.0795 2.0899 2.0899 2.1131 2.1131 2.4335 2.4335 2.5136 2.5136 2.7304 2.7304 2.7427 2.7427 3.6530 3.6530 3.8432 3.8432 3.8638 3.8638 3.9800 3.9800 4.0453 4.0453 4.1733 4.1733 4.1994 4.1994 4.5655 4.5655 4.5755 4.5755 4.6465 4.6465 4.7129 4.7129 4.7457 4.7457 5.4347 5.4347 5.4536 5.4536 6.1881 6.1881 7.6119 7.6119 7.7992 7.7992 7.9476 7.9476 8.3425 8.3425 8.3501 8.3501 11.5220 11.5220 11.5257 11.5257 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9079 -6.9079 -6.6227 -6.6227 -6.6157 -6.6157 -6.4151 -6.4151 1.0585 1.0585 1.0670 1.0670 1.0970 1.0970 1.9383 1.9383 2.0343 2.0343 2.0795 2.0795 2.0899 2.0899 2.1131 2.1131 2.4335 2.4335 2.5136 2.5136 2.7304 2.7304 2.7427 2.7427 3.6530 3.6530 3.8432 3.8432 3.8638 3.8638 3.9800 3.9800 4.0453 4.0453 4.1733 4.1733 4.1994 4.1994 4.5655 4.5655 4.5755 4.5755 4.6465 4.6465 4.7129 4.7129 4.7457 4.7457 5.4347 5.4347 5.4536 5.4536 6.1881 6.1881 7.6119 7.6119 7.7992 7.7992 7.9476 7.9476 8.3425 8.3425 8.3501 8.3501 11.5220 11.5220 11.5257 11.5257 k = 0.4881 0.4881-0.0000 ( 5920 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9097 -6.9095 -6.6221 -6.6220 -6.6152 -6.6149 -6.4146 -6.4146 1.0536 1.0541 1.0632 1.0646 1.1044 1.1050 1.9386 1.9387 2.0242 2.0269 2.0742 2.0868 2.0940 2.0949 2.1120 2.1196 2.4329 2.4343 2.5104 2.5148 2.7287 2.7349 2.7441 2.7445 3.6520 3.6536 3.8398 3.8455 3.8615 3.8665 3.9753 3.9856 4.0399 4.0505 4.1660 4.1791 4.1978 4.2022 4.5518 4.5534 4.5848 4.5880 4.6413 4.6517 4.7063 4.7219 4.7455 4.7479 5.4325 5.4375 5.4537 5.4544 6.1853 6.1865 7.6110 7.6123 7.7996 7.8000 7.9454 7.9467 8.3410 8.3425 8.3495 8.3498 11.5190 11.5194 11.5297 11.5300 k = 0.4762 0.4762-0.0000 ( 5952 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9147 -6.9145 -6.6204 -6.6202 -6.6134 -6.6128 -6.4133 -6.4133 1.0408 1.0426 1.0598 1.0607 1.1201 1.1204 1.9398 1.9398 2.0043 2.0086 2.0683 2.0918 2.0978 2.1072 2.1222 2.1294 2.4325 2.4354 2.5057 2.5140 2.7299 2.7398 2.7485 2.7514 3.6507 3.6539 3.8355 3.8469 3.8596 3.8692 3.9715 3.9917 4.0350 4.0550 4.1580 4.1821 4.1963 4.2077 4.5322 4.5372 4.5967 4.5980 4.6395 4.6543 4.7042 4.7321 4.7477 4.7519 5.4308 5.4405 5.4550 5.4562 6.1781 6.1805 7.6096 7.6122 7.8012 7.8019 7.9401 7.9426 8.3369 8.3405 8.3483 8.3497 11.5065 11.5073 11.5464 11.5471 k = 0.4643 0.4643-0.0000 ( 5952 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9229 -6.9224 -6.6178 -6.6175 -6.6102 -6.6093 -6.4112 -6.4111 1.0260 1.0286 1.0556 1.0563 1.1384 1.1386 1.9409 1.9417 1.9810 1.9871 2.0626 2.0886 2.1063 2.1186 2.1382 2.1425 2.4323 2.4368 2.5006 2.5117 2.7329 2.7439 2.7570 2.7639 3.6491 3.6538 3.8306 3.8478 3.8581 3.8720 3.9687 3.9974 4.0316 4.0586 4.1497 4.1819 4.1948 4.2163 4.5118 4.5202 4.5992 4.6063 4.6445 4.6524 4.7087 4.7421 4.7535 4.7579 5.4299 5.4437 5.4576 5.4587 6.1667 6.1703 7.6077 7.6116 7.8040 7.8050 7.9320 7.9355 8.3295 8.3351 8.3482 8.3505 11.4861 11.4871 11.5743 11.5751 k = 0.4524 0.4524-0.0000 ( 5948 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9337 -6.9332 -6.6146 -6.6142 -6.6056 -6.6043 -6.4082 -6.4082 1.0109 1.0142 1.0499 1.0505 1.1579 1.1588 1.9392 1.9437 1.9570 1.9675 2.0574 2.0844 2.1159 2.1282 2.1547 2.1574 2.4325 2.4386 2.4960 2.5089 2.7367 2.7483 2.7695 2.7800 3.6474 3.6533 3.8252 3.8482 3.8568 3.8744 3.9668 4.0010 4.0315 4.0612 4.1412 4.1795 4.1931 4.2275 4.4910 4.5028 4.5937 4.6124 4.6474 4.6536 4.7189 4.7499 4.7648 4.7655 5.4296 5.4471 5.4613 5.4621 6.1515 6.1561 7.6054 7.6106 7.8077 7.8093 7.9213 7.9258 8.3191 8.3264 8.3491 8.3519 11.4585 11.4598 11.6125 11.6133 k = 0.4405 0.4405-0.0000 ( 5948 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9470 -6.9465 -6.6108 -6.6103 -6.5997 -6.5982 -6.4046 -6.4045 0.9958 0.9996 1.0427 1.0432 1.1787 1.1802 1.9254 1.9280 1.9506 1.9599 2.0527 2.0802 2.1259 2.1369 2.1700 2.1720 2.4329 2.4407 2.4928 2.5064 2.7412 2.7534 2.7854 2.7986 3.6454 3.6525 3.8197 3.8484 3.8555 3.8764 3.9656 4.0012 4.0355 4.0626 4.1325 4.1754 4.1917 4.2404 4.4703 4.4853 4.5853 4.6135 4.6428 4.6627 4.7331 4.7571 4.7744 4.7800 5.4298 5.4507 5.4659 5.4660 6.1326 6.1383 7.6026 7.6091 7.8124 7.8147 7.9087 7.9136 8.3062 8.3150 8.3504 8.3536 11.4247 11.4261 11.6602 11.6607 k = 0.4286 0.4286-0.0000 ( 5948 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9624 -6.9618 -6.6064 -6.6058 -6.5928 -6.5912 -6.4004 -6.4003 0.9805 0.9848 1.0339 1.0344 1.2007 1.2028 1.9015 1.9017 1.9554 1.9623 2.0485 2.0762 2.1366 2.1454 2.1836 2.1849 2.4336 2.4432 2.4920 2.5053 2.7463 2.7593 2.8040 2.8188 3.6434 3.6513 3.8140 3.8483 3.8542 3.8780 3.9650 3.9991 4.0421 4.0628 4.1237 4.1700 4.1908 4.2547 4.4500 4.4678 4.5756 4.6084 4.6412 4.6700 4.7498 4.7651 4.7844 4.7975 5.4304 5.4548 5.4706 5.4709 6.1108 6.1173 7.5995 7.6072 7.8178 7.8210 7.8946 7.8995 8.2912 8.3014 8.3519 8.3554 11.3853 11.3869 11.7159 11.7160 k = 0.4167 0.4167-0.0000 ( 5958 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9795 -6.9788 -6.6014 -6.6006 -6.5851 -6.5834 -6.3957 -6.3955 0.9651 0.9698 1.0235 1.0241 1.2238 1.2265 1.8742 1.8754 1.9617 1.9679 2.0448 2.0725 2.1478 2.1540 2.1948 2.1955 2.4346 2.4462 2.4942 2.5065 2.7521 2.7659 2.8245 2.8403 3.6414 3.6498 3.8083 3.8482 3.8527 3.8791 3.9649 3.9961 4.0490 4.0621 4.1148 4.1634 4.1912 4.2700 4.4302 4.4505 4.5654 4.5987 4.6417 4.6750 4.7682 4.7743 4.7953 4.8166 5.4314 5.4596 5.4756 5.4758 6.0864 6.0936 7.5960 7.6049 7.8231 7.8282 7.8800 7.8839 8.2744 8.2860 8.3534 8.3572 11.3411 11.3428 11.7773 11.7783 k = 0.4048 0.4048-0.0000 ( 5958 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8492 -31.8492 -31.8488 -31.8488 -6.9980 -6.9974 -6.5957 -6.5948 -6.5770 -6.5752 -6.3907 -6.3904 0.9494 0.9544 1.0117 1.0123 1.2480 1.2513 1.8464 1.8480 1.9693 1.9751 2.0415 2.0691 2.1595 2.1630 2.2036 2.2037 2.4361 2.4497 2.4998 2.5104 2.7587 2.7733 2.8463 2.8626 3.6394 3.6480 3.8026 3.8479 3.8512 3.8798 3.9652 3.9930 4.0545 4.0605 4.1060 4.1557 4.1935 4.2857 4.4114 4.4334 4.5548 4.5867 4.6427 4.6778 4.7846 4.7878 4.8069 4.8370 5.4322 5.4652 5.4803 5.4811 6.0601 6.0679 7.5923 7.6023 7.8264 7.8354 7.8672 7.8679 8.2561 8.2690 8.3547 8.3587 11.2927 11.2945 11.8428 11.8452 k = 0.3929 0.3929-0.0000 ( 5962 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8492 -31.8492 -31.8488 -31.8488 -7.0177 -7.0171 -6.5894 -6.5884 -6.5684 -6.5665 -6.3853 -6.3850 0.9334 0.9386 0.9984 0.9991 1.2733 1.2770 1.8184 1.8202 1.9781 1.9835 2.0387 2.0659 2.1718 2.1722 2.2093 2.2099 2.4380 2.4536 2.5090 2.5176 2.7659 2.7814 2.8691 2.8856 3.6375 3.6460 3.7968 3.8477 3.8495 3.8802 3.9658 3.9902 4.0574 4.0584 4.0973 4.1470 4.1985 4.3007 4.3947 4.4167 4.5441 4.5735 4.6435 4.6788 4.7958 4.8075 4.8197 4.8582 5.4327 5.4716 5.4839 5.4870 6.0327 6.0409 7.5883 7.5994 7.8229 7.8379 7.8566 7.8613 8.2368 8.2509 8.3557 8.3599 11.2406 11.2423 11.9098 11.9140 k = 0.3810 0.3810-0.0000 ( 5968 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8492 -31.8492 -31.8487 -31.8487 -7.0384 -7.0378 -6.5825 -6.5813 -6.5595 -6.5575 -6.3798 -6.3795 0.9168 0.9223 0.9837 0.9845 1.2995 1.3037 1.7901 1.7920 1.9880 1.9929 2.0363 2.0629 2.1817 2.1846 2.2130 2.2141 2.4404 2.4580 2.5218 2.5279 2.7739 2.7901 2.8925 2.9088 3.6358 3.6437 3.7909 3.8474 3.8477 3.8803 3.9666 3.9878 4.0559 4.0572 4.0887 4.1374 4.2063 4.3125 4.3824 4.4004 4.5334 4.5596 4.6441 4.6782 4.8075 4.8238 4.8367 4.8801 5.4322 5.4785 5.4865 5.4933 6.0051 6.0133 7.5843 7.5964 7.8106 7.8252 7.8605 7.8644 8.2170 8.2319 8.3563 8.3606 11.1851 11.1867 11.9748 11.9811 k = 0.3690 0.3690-0.0000 ( 5968 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8492 -31.8492 -31.8487 -31.8487 -7.0599 -7.0593 -6.5750 -6.5737 -6.5503 -6.5483 -6.3743 -6.3739 0.8997 0.9053 0.9677 0.9686 1.3266 1.3313 1.7618 1.7636 1.9989 2.0030 2.0344 2.0600 2.1913 2.1975 2.2155 2.2169 2.4433 2.4629 2.5377 2.5414 2.7825 2.7994 2.9164 2.9323 3.6343 3.6412 3.7850 3.8457 3.8471 3.8802 3.9676 3.9857 4.0532 4.0539 4.0804 4.1270 4.2168 4.3160 4.3794 4.3848 4.5225 4.5451 4.6445 4.6764 4.8195 4.8361 4.8585 4.9026 5.4301 5.4826 5.4907 5.5004 5.9779 5.9861 7.5801 7.5931 7.7940 7.8072 7.8701 7.8720 8.1969 8.2126 8.3564 8.3608 11.1266 11.1280 12.0336 12.0418 k = 0.3571 0.3571-0.0000 ( 5960 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8492 -31.8492 -31.8487 -31.8487 -7.0819 -7.0814 -6.5669 -6.5655 -6.5409 -6.5389 -6.3688 -6.3684 0.8820 0.8877 0.9504 0.9513 1.3545 1.3596 1.7336 1.7352 2.0106 2.0128 2.0334 2.0573 2.1999 2.2087 2.2187 2.2207 2.4466 2.4682 2.5564 2.5578 2.7917 2.8092 2.9404 2.9558 3.6330 3.6385 3.7790 3.8438 3.8467 3.8801 3.9685 3.9839 4.0478 4.0505 4.0725 4.1160 4.2290 4.3088 4.3702 4.3879 4.5116 4.5302 4.6449 4.6739 4.8315 4.8467 4.8825 4.9257 5.4257 5.4805 5.4995 5.5083 5.9521 5.9601 7.5760 7.5899 7.7761 7.7884 7.8807 7.8813 8.1770 8.1933 8.3558 8.3603 11.0654 11.0665 12.0229 12.0308 k = 0.3452 0.3452-0.0000 ( 5966 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8491 -31.8491 -31.8487 -31.8487 -7.1043 -7.1038 -6.5582 -6.5568 -6.5313 -6.5293 -6.3634 -6.3630 0.8636 0.8693 0.9319 0.9329 1.3830 1.3886 1.7054 1.7069 2.0199 2.0228 2.0356 2.0546 2.2058 2.2134 2.2250 2.2311 2.4504 2.4739 2.5767 2.5775 2.8015 2.8195 2.9643 2.9792 3.6318 3.6356 3.7730 3.8417 3.8463 3.8800 3.9691 3.9823 4.0392 4.0477 4.0653 4.1046 4.2417 4.2957 4.3573 4.4028 4.5004 4.5150 4.6453 4.6709 4.8432 4.8563 4.9076 4.9493 5.4181 5.4742 5.5102 5.5172 5.9284 5.9360 7.5720 7.5866 7.7578 7.7694 7.8912 7.8918 8.1577 8.1743 8.3546 8.3592 11.0016 11.0024 11.9763 11.9845 k = 0.3333 0.3333-0.0000 ( 5960 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8491 -31.8491 -31.8487 -31.8487 -7.1271 -7.1266 -6.5491 -6.5475 -6.5216 -6.5196 -6.3582 -6.3577 0.8447 0.8503 0.9123 0.9134 1.4121 1.4180 1.6774 1.6787 2.0218 2.0350 2.0429 2.0519 2.2091 2.2149 2.2352 2.2456 2.4547 2.4799 2.5977 2.6006 2.8119 2.8303 2.9881 3.0023 3.6307 3.6325 3.7671 3.8396 3.8457 3.8801 3.9693 3.9808 4.0284 4.0448 4.0594 4.0934 4.2529 4.2806 4.3476 4.4202 4.4889 4.4997 4.6459 4.6678 4.8543 4.8650 4.9339 4.9735 5.4070 5.4639 5.5220 5.5272 5.9074 5.9147 7.5682 7.5834 7.7397 7.7507 7.9010 7.9028 8.1397 8.1561 8.3526 8.3572 10.9354 10.9359 11.9300 11.9382 k = 0.3214 0.3214-0.0000 ( 5960 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8491 -31.8491 -31.8487 -31.8487 -7.1500 -7.1495 -6.5395 -6.5379 -6.5117 -6.5097 -6.3533 -6.3528 0.8250 0.8306 0.8917 0.8929 1.4416 1.4479 1.6497 1.6507 2.0209 2.0465 2.0493 2.0522 2.2122 2.2168 2.2476 2.2615 2.4595 2.4863 2.6207 2.6253 2.8227 2.8416 3.0116 3.0250 3.6291 3.6295 3.7614 3.8375 3.8449 3.8805 3.9685 3.9794 4.0154 4.0418 4.0549 4.0830 4.2597 4.2650 4.3435 4.4374 4.4771 4.4851 4.6469 4.6648 4.8648 4.8727 4.9611 4.9984 5.3920 5.4495 5.5349 5.5384 5.8896 5.8966 7.5647 7.5803 7.7218 7.7323 7.9102 7.9134 8.1233 8.1392 8.3498 8.3544 10.8671 10.8673 11.8845 11.8925 k = 0.3095 0.3095-0.0000 ( 5954 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8487 -31.8487 -7.1729 -7.1725 -6.5295 -6.5278 -6.5017 -6.4997 -6.3487 -6.3481 0.8049 0.8103 0.8701 0.8715 1.4715 1.4779 1.6223 1.6230 2.0191 2.0466 2.0567 2.0607 2.2171 2.2205 2.2615 2.2781 2.4647 2.4930 2.6453 2.6515 2.8341 2.8533 3.0346 3.0473 3.6255 3.6281 3.7563 3.8354 3.8439 3.8813 3.9662 3.9781 4.0009 4.0384 4.0519 4.0741 4.2494 4.2596 4.3469 4.4491 4.4648 4.4760 4.6484 4.6623 4.8744 4.8796 4.9895 5.0241 5.3732 5.4309 5.5487 5.5506 5.8750 5.8818 7.5616 7.5775 7.7045 7.7144 7.9182 7.9230 8.1094 8.1241 8.3462 8.3508 10.7965 10.7968 11.8401 11.8479 k = 0.2976 0.2976-0.0000 ( 5944 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8487 -31.8487 -7.1957 -7.1954 -6.5192 -6.5174 -6.4916 -6.4897 -6.3443 -6.3437 0.7842 0.7894 0.8478 0.8493 1.5015 1.5078 1.5956 1.5958 2.0171 2.0438 2.0647 2.0673 2.2247 2.2270 2.2763 2.2953 2.4703 2.4999 2.6713 2.6789 2.8460 2.8653 3.0571 3.0690 3.6216 3.6262 3.7520 3.8330 3.8427 3.8827 3.9618 3.9767 3.9850 4.0348 4.0503 4.0676 4.2342 4.2533 4.3570 4.4424 4.4522 4.4848 4.6504 4.6605 4.8832 4.8857 5.0188 5.0507 5.3510 5.4086 5.5632 5.5637 5.8635 5.8702 7.5589 7.5749 7.6878 7.6971 7.9242 7.9310 8.0985 8.1115 8.3418 8.3463 10.7239 10.7246 11.7973 11.8046 k = 0.2857 0.2857-0.0000 ( 5944 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8487 -31.8487 -7.2184 -7.2181 -6.5085 -6.5067 -6.4815 -6.4795 -6.3403 -6.3397 0.7631 0.7682 0.8248 0.8263 1.5309 1.5356 1.5694 1.5713 2.0148 2.0410 2.0700 2.0715 2.2354 2.2368 2.2920 2.3131 2.4763 2.5069 2.6985 2.7073 2.8584 2.8778 3.0789 3.0900 3.6173 3.6235 3.7489 3.8304 3.8411 3.8847 3.9547 3.9681 3.9754 4.0316 4.0499 4.0633 4.2197 4.2432 4.3707 4.4272 4.4397 4.5015 4.6532 4.6595 4.8910 4.8911 5.0490 5.0781 5.3259 5.3831 5.5775 5.5781 5.8547 5.8614 7.5566 7.5726 7.6717 7.6805 7.9277 7.9369 8.0913 8.1021 8.3365 8.3410 10.6496 10.6506 11.7562 11.7629 k = 0.2738 0.2738-0.0000 ( 5934 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8487 -31.8487 -7.2408 -7.2405 -6.4976 -6.4958 -6.4713 -6.4694 -6.3367 -6.3360 0.7417 0.7465 0.8013 0.8029 1.5369 1.5398 1.5641 1.5740 2.0123 2.0381 2.0726 2.0732 2.2493 2.2501 2.3084 2.3313 2.4825 2.5141 2.7268 2.7366 2.8712 2.8907 3.0999 3.1102 3.6126 3.6197 3.7475 3.8274 3.8393 3.8874 3.9448 3.9506 3.9741 4.0295 4.0507 4.0609 4.2059 4.2312 4.3841 4.4104 4.4289 4.5192 4.6568 4.6595 4.8957 4.8981 5.0801 5.1064 5.2985 5.3550 5.5917 5.5935 5.8482 5.8549 7.5548 7.5707 7.6563 7.6647 7.9285 7.9400 8.0882 8.0964 8.3304 8.3348 10.5737 10.5751 11.7171 11.7230 k = 0.2619 0.2619-0.0000 ( 5938 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8489 -31.8489 -31.8487 -31.8487 -7.2628 -7.2626 -6.4865 -6.4847 -6.4611 -6.4592 -6.3334 -6.3327 0.7200 0.7247 0.7773 0.7790 1.5133 1.5150 1.5926 1.6016 2.0098 2.0351 2.0727 2.0727 2.2659 2.2664 2.3254 2.3499 2.4891 2.5213 2.7559 2.7666 2.8846 2.9040 3.1200 3.1296 3.6074 3.6147 3.7477 3.8236 3.8369 3.8907 3.9328 3.9329 3.9730 4.0286 4.0525 4.0597 4.1930 4.2184 4.3894 4.3929 4.4267 4.5366 4.6606 4.6612 4.8998 4.9043 5.1122 5.1354 5.2696 5.3251 5.6063 5.6089 5.8434 5.8501 7.5535 7.5689 7.6418 7.6496 7.9267 7.9402 8.0889 8.0947 8.3236 8.3279 10.4964 10.4981 11.6799 11.6852 k = 0.2500 0.2500-0.0000 ( 5942 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8489 -31.8489 -31.8486 -31.8486 -7.2844 -7.2842 -6.4753 -6.4734 -6.4510 -6.4491 -6.3304 -6.3298 0.6984 0.7027 0.7531 0.7547 1.4884 1.4897 1.6219 1.6307 2.0072 2.0320 2.0705 2.0708 2.2847 2.2851 2.3429 2.3687 2.4959 2.5285 2.7858 2.7971 2.8985 2.9178 3.1392 3.1480 3.6017 3.6083 3.7500 3.8186 3.8338 3.8940 3.9158 3.9198 3.9721 4.0287 4.0551 4.0592 4.1813 4.2054 4.3753 4.3811 4.4381 4.5534 4.6627 4.6666 4.9035 4.9097 5.1450 5.1648 5.2405 5.2941 5.6208 5.6243 5.8398 5.8465 7.5526 7.5674 7.6280 7.6353 7.9231 7.9380 8.0928 8.0965 8.3160 8.3202 10.4179 10.4197 11.6450 11.6494 k = 0.2381 0.2381-0.0000 ( 5926 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8489 -31.8489 -31.8486 -31.8486 -7.3055 -7.3053 -6.4640 -6.4621 -6.4409 -6.4390 -6.3279 -6.3272 0.6767 0.6808 0.7287 0.7304 1.4639 1.4649 1.6508 1.6596 2.0046 2.0289 2.0671 2.0674 2.3050 2.3055 2.3609 2.3876 2.5028 2.5356 2.8163 2.8281 2.9131 2.9320 3.1573 3.1653 3.5955 3.6007 3.7540 3.8118 3.8293 3.8921 3.9058 3.9071 3.9716 4.0294 4.0585 4.0592 4.1710 4.1925 4.3575 4.3670 4.4553 4.5695 4.6660 4.6730 4.9068 4.9143 5.1783 5.1886 5.2174 5.2629 5.6352 5.6394 5.8370 5.8435 7.5521 7.5661 7.6150 7.6218 7.9186 7.9342 8.0990 8.1012 8.3079 8.3120 10.3382 10.3402 11.6123 11.6159 k = 0.2262 0.2262-0.0000 ( 5932 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8488 -31.8488 -31.8486 -31.8486 -7.3260 -7.3258 -6.4527 -6.4508 -6.4309 -6.4291 -6.3256 -6.3249 0.6552 0.6591 0.7042 0.7060 1.4399 1.4407 1.6792 1.6880 2.0019 2.0257 2.0628 2.0630 2.3263 2.3272 2.3791 2.4065 2.5099 2.5426 2.8472 2.8593 2.9282 2.9467 3.1743 3.1816 3.5887 3.5919 3.7596 3.8025 3.8220 3.8801 3.8957 3.9088 3.9712 4.0301 4.0594 4.0624 4.1623 4.1798 4.3398 4.3511 4.4742 4.5848 4.6703 4.6804 4.9098 4.9183 5.1728 5.2074 5.2347 5.2363 5.6491 5.6540 5.8346 5.8408 7.5518 7.5648 7.6029 7.6092 7.9143 7.9298 8.1067 8.1078 8.2992 8.3031 10.2575 10.2597 11.5818 11.5847 k = 0.2143 0.2143-0.0000 ( 5932 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8488 -31.8488 -31.8486 -31.8486 -7.3458 -7.3456 -6.4415 -6.4396 -6.4210 -6.4193 -6.3237 -6.3230 0.6340 0.6377 0.6800 0.6817 1.4165 1.4172 1.7069 1.7156 1.9992 2.0225 2.0578 2.0579 2.3481 2.3495 2.3976 2.4253 2.5172 2.5494 2.8784 2.8906 2.9441 2.9619 3.1901 3.1968 3.5814 3.5821 3.7659 3.7908 3.8105 3.8695 3.8866 3.9149 3.9713 4.0303 4.0600 4.0667 4.1554 4.1675 4.3223 4.3344 4.4938 4.5993 4.6756 4.6888 4.9126 4.9217 5.1439 5.1934 5.2536 5.2664 5.6624 5.6679 5.8322 5.8381 7.5516 7.5634 7.5916 7.5974 7.9110 7.9258 8.1151 8.1155 8.2901 8.2938 10.1761 10.1784 11.5537 11.5559 k = 0.2024 0.2024-0.0000 ( 5924 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8488 -31.8488 -31.8486 -31.8486 -7.3649 -7.3648 -6.4303 -6.4285 -6.4114 -6.4097 -6.3220 -6.3213 0.6133 0.6166 0.6559 0.6577 1.3939 1.3945 1.7337 1.7424 1.9965 2.0193 2.0523 2.0527 2.3700 2.3720 2.4160 2.4437 2.5244 2.5561 2.9096 2.9218 2.9608 2.9777 3.2047 3.2108 3.5717 3.5735 3.7670 3.7823 3.7945 3.8626 3.8803 3.9220 3.9718 4.0294 4.0611 4.0713 4.1507 4.1558 4.3052 4.3175 4.5139 4.6130 4.6817 4.6982 4.9152 4.9245 5.1147 5.1633 5.2882 5.2999 5.6749 5.6809 5.8297 5.8352 7.5513 7.5617 7.5811 7.5864 7.9093 7.9230 8.1236 8.1237 8.2807 8.2842 10.0940 10.0963 11.5280 11.5294 k = 0.1905 0.1905-0.0000 ( 5928 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8488 -31.8488 -31.8486 -31.8486 -7.3832 -7.3831 -6.4194 -6.4176 -6.4020 -6.4003 -6.3207 -6.3200 0.5930 0.5962 0.6323 0.6341 1.3722 1.3726 1.7596 1.7681 1.9939 2.0160 2.0466 2.0474 2.3918 2.3944 2.4344 2.4617 2.5317 2.5624 2.9406 2.9529 2.9783 2.9940 3.2182 3.2237 3.5606 3.5651 3.7521 3.7750 3.7879 3.8587 3.8764 3.9296 3.9728 4.0268 4.0631 4.0761 4.1447 4.1478 4.2883 4.3006 4.5343 4.6260 4.6887 4.7085 4.9177 4.9267 5.0862 5.1327 5.3244 5.3343 5.6863 5.6929 5.8270 5.8318 7.5508 7.5595 7.5715 7.5762 7.9098 7.9221 8.1316 8.1320 8.2710 8.2744 10.0115 10.0138 11.5047 11.5054 k = 0.1786 0.1786-0.0000 ( 5934 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8487 -31.8487 -31.8486 -31.8486 -7.4007 -7.4006 -6.4087 -6.4070 -6.3928 -6.3913 -6.3195 -6.3189 0.5735 0.5763 0.6093 0.6110 1.3513 1.3517 1.7844 1.7928 1.9913 2.0127 2.0408 2.0420 2.4130 2.4164 2.4526 2.4790 2.5390 2.5685 2.9709 2.9835 2.9971 3.0109 3.2305 3.2354 3.5491 3.5561 3.7318 3.7533 3.7970 3.8566 3.8747 3.9375 3.9743 4.0228 4.0660 4.0809 4.1343 4.1468 4.2718 4.2840 4.5551 4.6384 4.6963 4.7195 4.9199 4.9281 5.0591 5.1030 5.3610 5.3692 5.6966 5.7037 5.8239 5.8280 7.5498 7.5566 7.5630 7.5669 7.9129 7.9236 8.1393 8.1398 8.2613 8.2645 9.9288 9.9310 11.4838 11.4838 k = 0.1667 0.1667-0.0000 ( 5928 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8487 -31.8487 -31.8486 -31.8486 -7.4173 -7.4172 -6.3983 -6.3967 -6.3840 -6.3825 -6.3186 -6.3180 0.5546 0.5573 0.5870 0.5887 1.3314 1.3317 1.8081 1.8162 1.9888 2.0094 2.0352 2.0368 2.4336 2.4377 2.4706 2.4956 2.5463 2.5743 2.9998 3.0136 3.0178 3.0285 3.2416 3.2460 3.5373 3.5467 3.7096 3.7301 3.8067 3.8555 3.8748 3.9451 3.9764 4.0174 4.0697 4.0854 4.1251 4.1474 4.2559 4.2678 4.5760 4.6504 4.7045 4.7311 4.9219 4.9286 5.0338 5.0745 5.3978 5.4044 5.7057 5.7132 5.8204 5.8238 7.5481 7.5521 7.5563 7.5584 7.9189 7.9279 8.1462 8.1469 8.2517 8.2546 9.8462 9.8483 11.4646 11.4653 k = 0.1548 0.1548-0.0000 ( 5928 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8487 -31.8487 -31.8486 -31.8486 -7.4329 -7.4329 -6.3883 -6.3868 -6.3755 -6.3741 -6.3179 -6.3173 0.5367 0.5391 0.5655 0.5671 1.3125 1.3127 1.8305 1.8383 1.9864 2.0062 2.0298 2.0317 2.4532 2.4580 2.4880 2.5113 2.5535 2.5797 3.0258 3.0417 3.0430 3.0467 3.2517 3.2555 3.5253 3.5368 3.6861 3.7060 3.8161 3.8550 3.8764 3.9523 3.9793 4.0113 4.0739 4.0892 4.1172 4.1491 4.2405 4.2523 4.5972 4.6620 4.7132 4.7431 4.9234 4.9277 5.0112 5.0477 5.4344 5.4396 5.7132 5.7211 5.8166 5.8191 7.5457 7.5457 7.5509 7.5516 7.9280 7.9353 8.1524 8.1531 8.2423 8.2449 9.7639 9.7658 11.4479 11.4491 k = 0.1429 0.1429-0.0000 ( 5928 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8487 -31.8487 -31.8486 -31.8486 -7.4476 -7.4476 -6.3788 -6.3773 -6.3675 -6.3661 -6.3174 -6.3168 0.5197 0.5219 0.5450 0.5466 1.2947 1.2949 1.8515 1.8590 1.9841 2.0029 2.0248 2.0270 2.4717 2.4772 2.5050 2.5260 2.5608 2.5848 3.0489 3.0655 3.0686 3.0718 3.2607 3.2639 3.5131 3.5265 3.6616 3.6812 3.8247 3.8548 3.8798 3.9584 3.9829 4.0049 4.0784 4.0917 4.1115 4.1516 4.2258 4.2378 4.6183 4.6732 4.7222 4.7554 4.9241 4.9244 4.9922 5.0230 5.4705 5.4744 5.7193 5.7275 5.8125 5.8142 7.5393 7.5417 7.5451 7.5472 7.9403 7.9460 8.1575 8.1582 8.2331 8.2356 9.6824 9.6840 11.4336 11.4352 k = 0.1310 0.1310-0.0000 ( 5938 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8485 -31.8485 -7.4612 -7.4612 -6.3697 -6.3684 -6.3599 -6.3586 -6.3170 -6.3165 0.5037 0.5057 0.5256 0.5271 1.2781 1.2782 1.8710 1.8782 1.9819 1.9995 2.0202 2.0225 2.4889 2.4951 2.5212 2.5396 2.5681 2.5895 3.0712 3.0850 3.0963 3.0994 3.2686 3.2714 3.5009 3.5158 3.6366 3.6558 3.8322 3.8549 3.8847 3.9634 3.9870 3.9984 4.0830 4.0918 4.1090 4.1547 4.2116 4.2243 4.6393 4.6840 4.7314 4.7677 4.9175 4.9233 4.9784 5.0013 5.5056 5.5084 5.7238 5.7321 5.8083 5.8093 7.5334 7.5362 7.5408 7.5425 7.9556 7.9598 8.1617 8.1623 8.2244 8.2267 9.6019 9.6033 11.4216 11.4236 k = 0.1190 0.1190-0.0000 ( 5932 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8485 -31.8485 -7.4738 -7.4738 -6.3613 -6.3601 -6.3527 -6.3515 -6.3168 -6.3162 0.4889 0.4906 0.5074 0.5088 1.2627 1.2628 1.8891 1.8958 1.9798 1.9962 2.0161 2.0185 2.5048 2.5113 2.5367 2.5521 2.5755 2.5939 3.0937 3.1051 3.1237 3.1260 3.2756 3.2780 3.4886 3.5047 3.6112 3.6301 3.8384 3.8550 3.8913 3.9674 3.9911 3.9922 4.0876 4.0899 4.1092 4.1582 4.1981 4.2123 4.6597 4.6943 4.7409 4.7799 4.9069 4.9198 4.9701 4.9840 5.5396 5.5414 5.7268 5.7350 5.8042 5.8046 7.5281 7.5307 7.5367 7.5376 7.9737 7.9768 8.1648 8.1653 8.2163 8.2184 9.5230 9.5242 11.4117 11.4140 k = 0.1071 0.1071-0.0000 ( 5924 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8485 -31.8485 -7.4853 -7.4853 -6.3535 -6.3524 -6.3461 -6.3450 -6.3166 -6.3161 0.4752 0.4768 0.4906 0.4919 1.2485 1.2486 1.9055 1.9118 1.9779 1.9929 2.0126 2.0149 2.5193 2.5258 2.5511 2.5635 2.5827 2.5979 3.1166 3.1259 3.1502 3.1515 3.2818 3.2837 3.4763 3.4933 3.5856 3.6041 3.8433 3.8553 3.8990 3.9707 3.9865 3.9944 4.0881 4.0919 4.1103 4.1618 4.1853 4.2019 4.6791 4.7041 4.7506 4.7918 4.8941 4.9125 4.9660 4.9723 5.5719 5.5729 5.7282 5.7361 5.8003 5.8004 7.5234 7.5258 7.5323 7.5326 7.9945 7.9965 8.1668 8.1672 8.2090 8.2108 9.4462 9.4472 11.4040 11.4065 k = 0.0952 0.0952-0.0000 ( 5928 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8485 -31.8485 -7.4957 -7.4956 -6.3463 -6.3454 -6.3401 -6.3391 -6.3165 -6.3160 0.4629 0.4642 0.4753 0.4764 1.2357 1.2358 1.9203 1.9259 1.9762 1.9896 2.0098 2.0119 2.5322 2.5382 2.5645 2.5739 2.5898 2.6016 3.1401 3.1471 3.1757 3.1758 3.2871 3.2886 3.4640 3.4816 3.5598 3.5778 3.8471 3.8556 3.9075 3.9733 3.9815 3.9964 4.0873 4.0960 4.1108 4.1652 4.1734 4.1936 4.6967 4.7131 4.7607 4.8031 4.8811 4.9014 4.9644 4.9663 5.6020 5.6024 5.7283 5.7357 5.7967 5.7971 7.5193 7.5214 7.5276 7.5279 8.0173 8.0185 8.1679 8.1682 8.2024 8.2041 9.3722 9.3730 11.3981 11.4007 k = 0.0833 0.0833-0.0000 ( 5930 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8486 -31.8486 -31.8485 -31.8485 -7.5049 -7.5049 -6.3400 -6.3392 -6.3346 -6.3337 -6.3164 -6.3160 0.4518 0.4530 0.4615 0.4625 1.2243 1.2243 1.9332 1.9382 1.9747 1.9865 2.0077 2.0094 2.5435 2.5487 2.5767 2.5835 2.5965 2.6050 3.1640 3.1689 3.1986 3.2001 3.2916 3.2929 3.4518 3.4695 3.5341 3.5515 3.8500 3.8558 3.9164 3.9754 3.9773 3.9970 4.0879 4.0995 4.1104 4.1613 4.1692 4.1874 4.7118 4.7211 4.7714 4.8136 4.8691 4.8888 4.9640 4.9641 5.6293 5.6294 5.7273 5.7338 5.7940 5.7945 7.5158 7.5176 7.5229 7.5235 8.0416 8.0422 8.1681 8.1683 8.1968 8.1983 9.3019 9.3024 11.3938 11.3964 k = 0.0714 0.0714-0.0000 ( 5930 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5129 -7.5129 -6.3344 -6.3339 -6.3298 -6.3289 -6.3164 -6.3160 0.4421 0.4431 0.4494 0.4503 1.2143 1.2143 1.9442 1.9485 1.9734 1.9835 2.0062 2.0076 2.5532 2.5572 2.5875 2.5923 2.6026 2.6081 3.1883 3.1911 3.2202 3.2230 3.2954 3.2964 3.4397 3.4572 3.5085 3.5251 3.8524 3.8561 3.9254 3.9740 3.9769 3.9962 4.0897 4.1025 4.1091 4.1509 4.1721 4.1833 4.7235 4.7278 4.7829 4.8229 4.8591 4.8766 4.9638 4.9643 5.6531 5.6536 5.7254 5.7310 5.7923 5.7927 7.5129 7.5144 7.5185 7.5193 8.0665 8.0668 8.1678 8.1679 8.1921 8.1935 9.2361 9.2365 11.3910 11.3935 k = 0.0595 0.0595-0.0000 ( 5932 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5197 -7.5197 -6.3298 -6.3294 -6.3255 -6.3248 -6.3163 -6.3159 0.4339 0.4347 0.4390 0.4398 1.2057 1.2057 1.9533 1.9568 1.9724 1.9807 2.0055 2.0065 2.5613 2.5639 2.5968 2.6002 2.6078 2.6109 3.2127 3.2135 3.2402 3.2443 3.2986 3.2993 3.4279 3.4448 3.4833 3.4989 3.8542 3.8564 3.9343 3.9716 3.9778 3.9942 4.0922 4.1049 4.1073 4.1411 4.1749 4.1811 4.7317 4.7331 4.7950 4.8309 4.8514 4.8657 4.9644 4.9650 5.6734 5.6740 5.7231 5.7277 5.7917 5.7920 7.5104 7.5117 7.5146 7.5154 8.0911 8.0911 8.1672 8.1672 8.1885 8.1896 9.1762 9.1764 11.3896 11.3920 k = 0.0476 0.0476-0.0000 ( 5943 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5253 -7.5253 -6.3260 -6.3258 -6.3220 -6.3213 -6.3162 -6.3158 0.4271 0.4277 0.4304 0.4310 1.1987 1.1987 1.9603 1.9631 1.9716 1.9782 2.0054 2.0060 2.5676 2.5692 2.6046 2.6068 2.6121 2.6134 3.2359 3.2371 3.2587 3.2638 3.3011 3.3017 3.4166 3.4323 3.4587 3.4731 3.8555 3.8567 3.9430 3.9702 3.9779 3.9913 4.0951 4.1056 4.1067 4.1322 4.1771 4.1802 4.7368 4.7370 4.8070 4.8371 4.8458 4.8569 4.9654 4.9657 5.6895 5.6902 5.7206 5.7242 5.7921 5.7924 7.5085 7.5095 7.5113 7.5121 8.1134 8.1135 8.1670 8.1671 8.1857 8.1866 9.1235 9.1236 11.3888 11.3910 k = 0.0357 0.0357-0.0000 ( 5963 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5297 -7.5297 -6.3233 -6.3232 -6.3191 -6.3186 -6.3160 -6.3156 0.4218 0.4223 0.4237 0.4241 1.1931 1.1931 1.9655 1.9675 1.9712 1.9761 2.0057 2.0060 2.5724 2.5731 2.6107 2.6122 2.6153 2.6156 3.2578 3.2607 3.2752 3.2809 3.3030 3.3035 3.4062 3.4201 3.4353 3.4480 3.8563 3.8568 3.9512 3.9697 3.9772 3.9877 4.0979 4.1046 4.1077 4.1242 4.1789 4.1801 4.7394 4.7396 4.8182 4.8413 4.8423 4.8502 4.9663 4.9665 5.7016 5.7022 5.7184 5.7210 5.7935 5.7936 7.5070 7.5077 7.5087 7.5093 8.1313 8.1314 8.1686 8.1687 8.1836 8.1843 9.0797 9.0797 11.3889 11.3913 k = 0.0238 0.0238-0.0000 ( 5979 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5328 -7.5328 -6.3215 -6.3215 -6.3170 -6.3166 -6.3157 -6.3154 0.4180 0.4183 0.4189 0.4192 1.1892 1.1892 1.9689 1.9702 1.9711 1.9743 2.0063 2.0064 2.5757 2.5759 2.6152 2.6161 2.6173 2.6175 3.2785 3.2823 3.2892 3.2946 3.3043 3.3048 3.3977 3.4086 3.4143 3.4246 3.8569 3.8570 3.9589 3.9700 3.9759 3.9834 4.1006 4.1047 4.1080 4.1172 4.1800 4.1804 4.7407 4.7408 4.8277 4.8405 4.8433 4.8455 4.9671 4.9672 5.7096 5.7101 5.7167 5.7184 5.7952 5.7952 7.5060 7.5065 7.5068 7.5072 8.1423 8.1423 8.1732 8.1733 8.1823 8.1827 9.0465 9.0465 11.3889 11.3899 k = 0.0119 0.0119-0.0000 ( 5991 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5347 -7.5347 -6.3206 -6.3206 -6.3156 -6.3155 -6.3153 -6.3152 0.4157 0.4159 0.4160 0.4161 1.1868 1.1868 1.9709 1.9714 1.9716 1.9729 2.0069 2.0069 2.5776 2.5776 2.6179 2.6183 2.6185 2.6187 3.2955 3.2989 3.2996 3.3031 3.3052 3.3057 3.3928 3.3987 3.3991 3.4051 3.8572 3.8572 3.9661 3.9711 3.9743 3.9783 4.1033 4.1057 4.1077 4.1114 4.1807 4.1807 4.7413 4.7413 4.8352 4.8399 4.8421 4.8433 4.9676 4.9677 5.7142 5.7144 5.7158 5.7166 5.7966 5.7966 7.5054 7.5056 7.5057 7.5059 8.1467 8.1467 8.1788 8.1789 8.1815 8.1817 9.0258 9.0258 11.3889 11.3899 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5354 -7.5354 -6.3203 -6.3203 -6.3151 -6.3151 -6.3151 -6.3151 0.4151 0.4151 0.4151 0.4151 1.1859 1.1859 1.9719 1.9719 1.9719 1.9719 2.0070 2.0070 2.5781 2.5781 2.6189 2.6189 2.6189 2.6189 3.3041 3.3041 3.3041 3.3041 3.3067 3.3067 3.3938 3.3938 3.3938 3.3938 3.8572 3.8572 3.9725 3.9725 3.9725 3.9725 4.1068 4.1068 4.1068 4.1068 4.1807 4.1807 4.7414 4.7414 4.8404 4.8404 4.8404 4.8404 4.9677 4.9677 5.7157 5.7157 5.7157 5.7157 5.7971 5.7971 7.5053 7.5053 7.5053 7.5053 8.1477 8.1477 8.1813 8.1813 8.1813 8.1813 9.0187 9.0187 11.3886 11.3886 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5354 -7.5354 -6.3203 -6.3203 -6.3151 -6.3151 -6.3151 -6.3151 0.4151 0.4151 0.4151 0.4151 1.1859 1.1859 1.9719 1.9719 1.9719 1.9719 2.0070 2.0070 2.5781 2.5781 2.6189 2.6189 2.6189 2.6189 3.3041 3.3041 3.3041 3.3041 3.3067 3.3067 3.3938 3.3938 3.3938 3.3938 3.8572 3.8572 3.9725 3.9725 3.9725 3.9725 4.1068 4.1068 4.1068 4.1068 4.1807 4.1807 4.7414 4.7414 4.8404 4.8404 4.8404 4.8404 4.9677 4.9677 5.7157 5.7157 5.7157 5.7157 5.7971 5.7971 7.5053 7.5053 7.5053 7.5053 8.1477 8.1477 8.1813 8.1813 8.1813 8.1813 9.0187 9.0187 11.3888 11.3896 k = 0.0098 0.0098 0.0098 ( 5995 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5347 -7.5347 -6.3206 -6.3206 -6.3156 -6.3154 -6.3154 -6.3153 0.4158 0.4160 0.4160 0.4161 1.1868 1.1868 1.9711 1.9713 1.9713 1.9729 2.0069 2.0069 2.5776 2.5776 2.6180 2.6185 2.6185 2.6185 3.2964 3.2999 3.2999 3.3017 3.3048 3.3048 3.3940 3.3989 3.3989 3.4045 3.8572 3.8572 3.9657 3.9727 3.9727 3.9785 4.1033 4.1066 4.1066 4.1116 4.1807 4.1807 4.7413 4.7413 4.8349 4.8412 4.8412 4.8433 4.9676 4.9676 5.7142 5.7142 5.7158 5.7167 5.7966 5.7966 7.5055 7.5057 7.5057 7.5059 8.1466 8.1466 8.1788 8.1788 8.1816 8.1818 9.0259 9.0259 11.3896 11.3903 k = 0.0196 0.0196 0.0196 ( 5971 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5328 -7.5328 -6.3214 -6.3214 -6.3166 -6.3161 -6.3161 -6.3161 0.4184 0.4186 0.4186 0.4189 1.1892 1.1892 1.9697 1.9697 1.9707 1.9744 2.0064 2.0064 2.5758 2.5758 2.6155 2.6166 2.6169 2.6169 3.2827 3.2879 3.2879 3.2898 3.3010 3.3010 3.4042 3.4115 3.4115 3.4216 3.8570 3.8570 3.9583 3.9732 3.9732 3.9835 4.1013 4.1059 4.1059 4.1175 4.1802 4.1802 4.7407 4.7407 4.8267 4.8434 4.8434 4.8435 4.9672 4.9672 5.7094 5.7094 5.7170 5.7188 5.7952 5.7952 7.5062 7.5066 7.5066 7.5070 8.1420 8.1420 8.1731 8.1731 8.1825 8.1830 9.0470 9.0470 11.3919 11.3927 k = 0.0294 0.0294 0.0294 ( 5965 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5296 -7.5296 -6.3228 -6.3228 -6.3183 -6.3175 -6.3174 -6.3174 0.4227 0.4231 0.4231 0.4235 1.1933 1.1933 1.9667 1.9667 1.9706 1.9761 2.0058 2.0058 2.5728 2.5728 2.6114 2.6131 2.6143 2.6143 3.2663 3.2718 3.2718 3.2726 3.2950 3.2950 3.4202 3.4279 3.4279 3.4418 3.8566 3.8566 3.9503 3.9739 3.9739 3.9873 4.1009 4.1048 4.1048 4.1244 4.1794 4.1794 4.7393 4.7393 4.8161 4.8411 4.8475 4.8475 4.9665 4.9665 5.7007 5.7007 5.7190 5.7218 5.7937 5.7937 7.5076 7.5083 7.5083 7.5088 8.1302 8.1302 8.1690 8.1690 8.1841 8.1849 9.0806 9.0806 11.3951 11.3959 k = 0.0392 0.0392 0.0392 ( 5953 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5251 -7.5251 -6.3248 -6.3248 -6.3205 -6.3195 -6.3190 -6.3190 0.4288 0.4292 0.4292 0.4299 1.1989 1.1989 1.9622 1.9622 1.9709 1.9782 2.0054 2.0054 2.5685 2.5685 2.6059 2.6081 2.6107 2.6107 3.2488 3.2532 3.2540 3.2540 3.2867 3.2867 3.4390 3.4463 3.4463 3.4634 3.8561 3.8561 3.9418 3.9748 3.9748 3.9899 4.1022 4.1033 4.1033 4.1321 4.1784 4.1784 4.7365 4.7365 4.8032 4.8363 4.8540 4.8540 4.9657 4.9657 5.6874 5.6874 5.7218 5.7257 5.7927 5.7927 7.5097 7.5105 7.5105 7.5112 8.1109 8.1109 8.1684 8.1684 8.1863 8.1873 9.1248 9.1248 11.4001 11.4002 k = 0.0490 0.0490 0.0490 ( 5941 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5194 -7.5194 -6.3273 -6.3273 -6.3234 -6.3221 -6.3212 -6.3212 0.4366 0.4371 0.4371 0.4379 1.2060 1.2060 1.9558 1.9558 1.9715 1.9805 2.0055 2.0055 2.5631 2.5631 2.5989 2.6015 2.6061 2.6061 3.2309 3.2328 3.2354 3.2354 3.2760 3.2760 3.4593 3.4656 3.4656 3.4858 3.8553 3.8553 3.9329 3.9759 3.9759 3.9911 4.1014 4.1014 4.1054 4.1405 4.1773 4.1773 4.7319 4.7319 4.7885 4.8294 4.8631 4.8631 4.9650 4.9650 5.6691 5.6691 5.7252 5.7303 5.7928 5.7928 7.5124 7.5135 7.5135 7.5143 8.0869 8.0869 8.1701 8.1701 8.1892 8.1904 9.1778 9.1778 11.4066 11.4081 k = 0.0588 0.0588 0.0588 ( 5938 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5125 -7.5125 -6.3305 -6.3305 -6.3268 -6.3252 -6.3237 -6.3237 0.4460 0.4466 0.4466 0.4476 1.2147 1.2147 1.9475 1.9475 1.9724 1.9832 2.0060 2.0060 2.5563 2.5563 2.5905 2.5935 2.6006 2.6006 3.2122 3.2131 3.2165 3.2165 3.2630 3.2630 3.4805 3.4853 3.4853 3.5085 3.8544 3.8544 3.9236 3.9770 3.9770 3.9911 4.0991 4.0991 4.1102 4.1496 4.1763 4.1763 4.7255 4.7255 4.7722 4.8208 4.8747 4.8747 4.9649 4.9649 5.6460 5.6460 5.7290 5.7353 5.7939 5.7939 7.5157 7.5170 7.5170 7.5179 8.0606 8.0606 8.1731 8.1731 8.1926 8.1940 9.2378 9.2378 11.4150 11.4150 k = 0.0686 0.0686 0.0686 ( 5920 PWs) bands (ev): -58.2393 -58.2393 -32.6729 -32.6729 -31.8485 -31.8485 -31.8485 -31.8485 -7.5043 -7.5043 -6.3342 -6.3342 -6.3307 -6.3289 -6.3266 -6.3266 0.4570 0.4577 0.4577 0.4589 1.2248 1.2248 1.9372 1.9372 1.9736 1.9862 2.0071 2.0071 2.5482 2.5482 2.5806 2.5840 2.5943 2.5943 3.1917 3.1955 3.1977 3.1977 3.2477 3.2477 3.5024 3.5052 3.5052 3.5313 3.8533 3.8533 3.9140 3.9782 3.9782 3.9900 4.0967 4.0967 4.1165 4.1592 4.1756 4.1756 4.7175 4.7175 4.7548 4.8108 4.8881 4.8881 4.9661 4.9661 5.6184 5.6184 5.7330 5.7406 5.7958 5.7958 7.5197 7.5212 7.5212 7.5223 8.0336 8.0336 8.1770 8.1770 8.1964 8.1980 9.3030 9.3030 11.4254 11.4254 k = 0.0784 0.0784 0.0784 ( 5926 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8485 -31.8485 -31.8485 -31.8485 -7.4949 -7.4949 -6.3384 -6.3384 -6.3352 -6.3332 -6.3299 -6.3299 0.4695 0.4702 0.4702 0.4717 1.2362 1.2362 1.9251 1.9251 1.9752 1.9894 2.0088 2.0088 2.5388 2.5388 2.5692 2.5730 2.5872 2.5872 3.1715 3.1781 3.1790 3.1790 3.2302 3.2302 3.5245 3.5250 3.5250 3.5541 3.8520 3.8520 3.9041 3.9791 3.9791 3.9880 4.0940 4.0940 4.1241 4.1693 4.1753 4.1753 4.7082 4.7082 4.7367 4.7998 4.9017 4.9017 4.9699 4.9699 5.5869 5.5869 5.7369 5.7460 5.7982 5.7982 7.5244 7.5261 7.5261 7.5272 8.0069 8.0069 8.1815 8.1815 8.2007 8.2023 9.3721 9.3721 11.4382 11.4382 k = 0.0882 0.0882 0.0882 ( 5926 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8486 -31.8486 -7.4844 -7.4844 -6.3432 -6.3432 -6.3402 -6.3380 -6.3336 -6.3336 0.4834 0.4842 0.4842 0.4859 1.2490 1.2490 1.9112 1.9112 1.9771 1.9930 2.0109 2.0109 2.5281 2.5281 2.5566 2.5606 2.5796 2.5796 3.1517 3.1607 3.1607 3.1611 3.2105 3.2105 3.5446 3.5446 3.5470 3.5765 3.8505 3.8505 3.8940 3.9798 3.9798 3.9854 4.0912 4.0912 4.1327 4.1756 4.1756 4.1797 4.6979 4.6979 4.7184 4.7882 4.9131 4.9131 4.9785 4.9785 5.5518 5.5518 5.7407 5.7512 5.8008 5.8008 7.5297 7.5315 7.5315 7.5327 7.9813 7.9813 8.1864 8.1864 8.2053 8.2070 9.4439 9.4439 11.4534 11.4534 k = 0.0980 0.0980 0.0980 ( 5932 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8486 -31.8486 -7.4726 -7.4726 -6.3485 -6.3485 -6.3457 -6.3433 -6.3376 -6.3376 0.4987 0.4995 0.4995 0.5014 1.2630 1.2630 1.8955 1.8955 1.9792 1.9967 2.0134 2.0134 2.5161 2.5161 2.5427 2.5468 2.5713 2.5713 3.1324 3.1428 3.1428 3.1446 3.1887 3.1887 3.5638 3.5638 3.5695 3.5987 3.8488 3.8488 3.8837 3.9800 3.9800 3.9824 4.0885 4.0885 4.1420 4.1766 4.1766 4.1905 4.6872 4.6872 4.7002 4.7763 4.9201 4.9201 4.9938 4.9938 5.5138 5.5138 5.7442 5.7561 5.8035 5.8035 7.5356 7.5376 7.5376 7.5389 7.9573 7.9573 8.1918 8.1918 8.2101 8.2119 9.5172 9.5172 11.4712 11.4713 k = 0.1078 0.1078 0.1078 ( 5932 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8486 -31.8486 -7.4598 -7.4598 -6.3543 -6.3543 -6.3517 -6.3490 -6.3419 -6.3419 0.5151 0.5160 0.5160 0.5182 1.2781 1.2781 1.8782 1.8782 1.9816 2.0007 2.0162 2.0162 2.5029 2.5029 2.5276 2.5317 2.5625 2.5625 3.1138 3.1253 3.1253 3.1285 3.1649 3.1649 3.5826 3.5826 3.5922 3.6204 3.8470 3.8470 3.8733 3.9791 3.9796 3.9796 4.0859 4.0859 4.1519 4.1784 4.1784 4.2015 4.6764 4.6764 4.6825 4.7647 4.9229 4.9229 5.0155 5.0155 5.4731 5.4731 5.7472 5.7606 5.8060 5.8060 7.5422 7.5443 7.5443 7.5457 7.9353 7.9353 8.1974 8.1974 8.2152 8.2169 9.5911 9.5911 11.4892 11.4900 k = 0.1176 0.1176 0.1176 ( 5920 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8486 -31.8486 -7.4458 -7.4458 -6.3606 -6.3606 -6.3581 -6.3552 -6.3466 -6.3466 0.5327 0.5336 0.5336 0.5361 1.2942 1.2942 1.8594 1.8594 1.9843 2.0049 2.0194 2.0194 2.4886 2.4886 2.5115 2.5155 2.5532 2.5532 3.0957 3.1083 3.1083 3.1128 3.1394 3.1394 3.6008 3.6008 3.6148 3.6416 3.8450 3.8450 3.8628 3.9759 3.9787 3.9787 4.0836 4.0836 4.1622 4.1813 4.1813 4.2126 4.6658 4.6660 4.6660 4.7535 4.9228 4.9228 5.0419 5.0419 5.4304 5.4304 5.7498 5.7646 5.8082 5.8082 7.5494 7.5516 7.5516 7.5531 7.9156 7.9156 8.2033 8.2033 8.2205 8.2221 9.6647 9.6647 11.5058 11.5073 k = 0.1275 0.1275 0.1275 ( 5923 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8486 -31.8486 -7.4308 -7.4308 -6.3672 -6.3672 -6.3648 -6.3618 -6.3515 -6.3515 0.5512 0.5521 0.5521 0.5549 1.3111 1.3111 1.8391 1.8391 1.9872 2.0093 2.0228 2.0228 2.4732 2.4732 2.4944 2.4983 2.5436 2.5436 3.0783 3.0916 3.0916 3.0977 3.1124 3.1124 3.6183 3.6183 3.6374 3.6620 3.8430 3.8430 3.8524 3.9726 3.9772 3.9772 4.0814 4.0814 4.1727 4.1851 4.1851 4.2238 4.6503 4.6560 4.6560 4.7430 4.9209 4.9209 5.0717 5.0717 5.3860 5.3860 5.7518 5.7680 5.8100 5.8100 7.5573 7.5594 7.5594 7.5610 7.8984 7.8984 8.2094 8.2094 8.2258 8.2274 9.7371 9.7371 11.5233 11.5251 k = 0.1373 0.1373 0.1373 ( 5935 PWs) bands (ev): -58.2393 -58.2393 -32.6730 -32.6730 -31.8486 -31.8486 -31.8486 -31.8486 -7.4148 -7.4148 -6.3742 -6.3742 -6.3720 -6.3687 -6.3568 -6.3568 0.5705 0.5715 0.5715 0.5746 1.3287 1.3287 1.8175 1.8175 1.9904 2.0138 2.0264 2.0264 2.4569 2.4569 2.4765 2.4801 2.5336 2.5336 3.0615 3.0745 3.0745 3.0829 3.0850 3.0850 3.6350 3.6350 3.6597 3.6815 3.8408 3.8408 3.8421 3.9696 3.9752 3.9752 4.0795 4.0795 4.1831 4.1900 4.1900 4.2349 4.6364 4.6469 4.6469 4.7336 4.9177 4.9177 5.1040 5.1040 5.3402 5.3402 5.7533 5.7708 5.8115 5.8115 7.5657 7.5677 7.5677 7.5695 7.8838 7.8838 8.2157 8.2157 8.2313 8.2328 9.8076 9.8076 11.5423 11.5433 k = 0.1471 0.1471 0.1471 ( 5941 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8487 -31.8487 -31.8487 -31.8487 -7.3977 -7.3977 -6.3816 -6.3816 -6.3794 -6.3760 -6.3623 -6.3623 0.5905 0.5914 0.5914 0.5949 1.3468 1.3468 1.7947 1.7947 1.9937 2.0184 2.0303 2.0303 2.4400 2.4400 2.4580 2.4612 2.5233 2.5233 3.0454 3.0507 3.0507 3.0634 3.0634 3.0686 3.6507 3.6507 3.6816 3.7001 3.8320 3.8386 3.8386 3.9671 3.9729 3.9729 4.0777 4.0777 4.1934 4.1959 4.1959 4.2458 4.6243 4.6388 4.6388 4.7253 4.9136 4.9136 5.1382 5.1382 5.2935 5.2935 5.7543 5.7731 5.8126 5.8126 7.5746 7.5766 7.5766 7.5785 7.8719 7.8719 8.2222 8.2222 8.2370 8.2382 9.8755 9.8755 11.5618 11.5620 k = 0.1569 0.1569 0.1569 ( 5935 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8487 -31.8487 -31.8487 -31.8487 -7.3798 -7.3798 -6.3893 -6.3893 -6.3872 -6.3836 -6.3680 -6.3680 0.6109 0.6119 0.6119 0.6157 1.3651 1.3651 1.7709 1.7709 1.9972 2.0231 2.0342 2.0342 2.4225 2.4225 2.4392 2.4419 2.5129 2.5129 3.0205 3.0205 3.0299 3.0479 3.0479 3.0546 3.6653 3.6653 3.7032 3.7174 3.8223 3.8365 3.8365 3.9652 3.9705 3.9705 4.0761 4.0761 4.2027 4.2027 4.2032 4.2565 4.6142 4.6320 4.6320 4.7185 4.9086 4.9086 5.1739 5.1739 5.2468 5.2468 5.7550 5.7748 5.8133 5.8133 7.5841 7.5859 7.5859 7.5879 7.8629 7.8629 8.2288 8.2288 8.2427 8.2437 9.9402 9.9402 11.5810 11.5830 k = 0.1667 0.1667 0.1667 ( 5953 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8487 -31.8487 -31.8487 -31.8487 -7.3609 -7.3609 -6.3972 -6.3972 -6.3952 -6.3915 -6.3739 -6.3739 0.6316 0.6326 0.6326 0.6368 1.3832 1.3832 1.7463 1.7463 2.0009 2.0279 2.0382 2.0382 2.4047 2.4047 2.4201 2.4222 2.5022 2.5022 2.9887 2.9887 3.0150 3.0336 3.0336 3.0411 3.6787 3.6787 3.7240 3.7335 3.8131 3.8344 3.8344 3.9639 3.9680 3.9680 4.0746 4.0746 4.2104 4.2104 4.2124 4.2668 4.6064 4.6263 4.6263 4.7131 4.9027 4.9027 5.1934 5.1934 5.2173 5.2173 5.7554 5.7761 5.8139 5.8139 7.5940 7.5956 7.5956 7.5977 7.8567 7.8567 8.2356 8.2356 8.2487 8.2493 10.0013 10.0013 11.6004 11.6008 k = 0.1765 0.1765 0.1765 ( 5935 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8487 -31.8487 -31.8487 -31.8487 -7.3412 -7.3412 -6.4054 -6.4054 -6.4034 -6.3997 -6.3801 -6.3801 0.6525 0.6535 0.6535 0.6581 1.4006 1.4006 1.7215 1.7215 2.0047 2.0326 2.0424 2.0424 2.3869 2.3869 2.4011 2.4026 2.4914 2.4914 2.9563 2.9563 3.0008 3.0200 3.0200 3.0279 3.6907 3.6907 3.7437 3.7482 3.8051 3.8326 3.8326 3.9637 3.9657 3.9657 4.0732 4.0732 4.2188 4.2188 4.2208 4.2766 4.6010 4.6220 4.6220 4.7093 4.8960 4.8960 5.1493 5.1493 5.2529 5.2529 5.7557 5.7772 5.8143 5.8143 7.6043 7.6057 7.6057 7.6079 7.8533 7.8533 8.2427 8.2427 8.2548 8.2550 10.0584 10.0584 11.6198 11.6202 k = 0.1863 0.1863 0.1863 ( 5929 PWs) bands (ev): -58.2393 -58.2393 -32.6731 -32.6731 -31.8488 -31.8488 -31.8488 -31.8488 -7.3207 -7.3207 -6.4138 -6.4138 -6.4119 -6.4080 -6.3864 -6.3864 0.6733 0.6743 0.6743 0.6793 1.4168 1.4168 1.6969 1.6969 2.0085 2.0373 2.0465 2.0465 2.3694 2.3694 2.3824 2.3832 2.4806 2.4806 2.9235 2.9235 2.9870 3.0070 3.0070 3.0150 3.7012 3.7012 3.7607 3.7613 3.7997 3.8311 3.8311 3.9638 3.9638 3.9645 4.0718 4.0718 4.2276 4.2276 4.2284 4.2859 4.5979 4.6188 4.6188 4.7071 4.8883 4.8883 5.1025 5.1025 5.2929 5.2929 5.7560 5.7781 5.8148 5.8148 7.6150 7.6160 7.6160 7.6184 7.8528 7.8528 8.2499 8.2499 8.2610 8.2611 10.1112 10.1112 11.6386 11.6391 k = 0.1961 0.1961 0.1961 ( 5923 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8488 -31.8488 -31.8488 -31.8488 -7.2995 -7.2995 -6.4223 -6.4223 -6.4204 -6.4165 -6.3929 -6.3929 0.6938 0.6948 0.6948 0.7002 1.4307 1.4307 1.6735 1.6735 2.0124 2.0419 2.0505 2.0505 2.3523 2.3523 2.3643 2.3644 2.4696 2.4696 2.8908 2.8908 2.9738 2.9945 2.9945 3.0024 3.7100 3.7100 3.7701 3.7728 3.8017 3.8300 3.8300 3.9622 3.9622 3.9664 4.0705 4.0705 4.2350 4.2368 4.2368 4.2945 4.5971 4.6169 4.6169 4.7065 4.8795 4.8795 5.0563 5.0563 5.3341 5.3341 5.7565 5.7791 5.8155 5.8155 7.6259 7.6266 7.6266 7.6292 7.8551 7.8551 8.2575 8.2575 8.2671 8.2677 10.1596 10.1596 11.6568 11.6572 k = 0.2059 0.2059 0.2059 ( 5914 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8488 -31.8488 -31.8488 -31.8488 -7.2776 -7.2776 -6.4310 -6.4310 -6.4291 -6.4251 -6.3995 -6.3995 0.7138 0.7147 0.7147 0.7207 1.4407 1.4407 1.6524 1.6524 2.0163 2.0464 2.0544 2.0544 2.3361 2.3361 2.3464 2.3469 2.4587 2.4587 2.8584 2.8584 2.9610 2.9825 2.9825 2.9901 3.7171 3.7171 3.7694 3.7829 3.8140 3.8296 3.8296 3.9611 3.9611 3.9694 4.0694 4.0694 4.2406 4.2462 4.2462 4.3025 4.5986 4.6160 4.6160 4.7074 4.8693 4.8693 5.0114 5.0114 5.3763 5.3763 5.7575 5.7803 5.8166 5.8166 7.6371 7.6374 7.6374 7.6400 7.8601 7.8601 8.2654 8.2654 8.2736 8.2747 10.2036 10.2036 11.6740 11.6745 k = 0.2157 0.2157 0.2157 ( 5926 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8488 -31.8488 -31.8488 -31.8488 -7.2551 -7.2551 -6.4398 -6.4398 -6.4379 -6.4338 -6.4062 -6.4062 0.7332 0.7340 0.7340 0.7404 1.4451 1.4451 1.6356 1.6356 2.0201 2.0505 2.0581 2.0581 2.3209 2.3209 2.3295 2.3306 2.4477 2.4477 2.8267 2.8267 2.9487 2.9709 2.9709 2.9781 3.7225 3.7225 3.7647 3.7915 3.8299 3.8299 3.8300 3.9603 3.9603 3.9734 4.0681 4.0681 4.2451 4.2555 4.2555 4.3097 4.6019 4.6158 4.6158 4.7096 4.8573 4.8573 4.9687 4.9687 5.4192 5.4192 5.7593 5.7820 5.8184 5.8184 7.6483 7.6483 7.6483 7.6510 7.8678 7.8678 8.2736 8.2736 8.2804 8.2820 10.2433 10.2433 11.6893 11.6907 k = 0.2255 0.2255 0.2255 ( 5938 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8489 -31.8489 -31.8489 -31.8489 -7.2320 -7.2320 -6.4486 -6.4486 -6.4467 -6.4426 -6.4131 -6.4131 0.7516 0.7524 0.7524 0.7592 1.4416 1.4416 1.6250 1.6250 2.0239 2.0545 2.0616 2.0616 2.3071 2.3071 2.3140 2.3155 2.4369 2.4369 2.7961 2.7961 2.9368 2.9597 2.9597 2.9663 3.7264 3.7264 3.7595 3.7989 3.8309 3.8309 3.8466 3.9600 3.9600 3.9783 4.0670 4.0670 4.2486 4.2646 4.2646 4.3161 4.6068 4.6159 4.6159 4.7128 4.8426 4.8426 4.9293 4.9293 5.4627 5.4627 5.7620 5.7845 5.8211 5.8211 7.6592 7.6592 7.6596 7.6619 7.8781 7.8781 8.2823 8.2823 8.2875 8.2898 10.2788 10.2788 11.7023 11.7034 k = 0.2353 0.2353 0.2353 ( 5935 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8489 -31.8489 -31.8489 -31.8489 -7.2085 -7.2085 -6.4574 -6.4574 -6.4555 -6.4514 -6.4200 -6.4200 0.7689 0.7697 0.7697 0.7770 1.4296 1.4296 1.6212 1.6212 2.0277 2.0582 2.0648 2.0648 2.2948 2.2948 2.3000 2.3020 2.4261 2.4261 2.7670 2.7670 2.9252 2.9489 2.9489 2.9547 3.7288 3.7288 3.7547 3.8053 3.8327 3.8327 3.8628 3.9601 3.9601 3.9838 4.0660 4.0660 4.2514 4.2735 4.2735 4.3218 4.6129 4.6159 4.6159 4.7169 4.8241 4.8241 4.8952 4.8952 5.5068 5.5068 5.7659 5.7881 5.8249 5.8249 7.6700 7.6700 7.6708 7.6728 7.8909 7.8909 8.2914 8.2914 8.2952 8.2980 10.3104 10.3104 11.7121 11.7131 k = 0.2451 0.2451 0.2451 ( 5935 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8489 -31.8489 -31.8489 -31.8489 -7.1845 -7.1845 -6.4662 -6.4662 -6.4643 -6.4602 -6.4269 -6.4269 0.7850 0.7856 0.7856 0.7934 1.4100 1.4100 1.6230 1.6230 2.0314 2.0616 2.0679 2.0679 2.2843 2.2843 2.2879 2.2901 2.4155 2.4155 2.7398 2.7398 2.9141 2.9385 2.9385 2.9433 3.7301 3.7301 3.7505 3.8111 3.8350 3.8350 3.8784 3.9604 3.9604 3.9898 4.0650 4.0650 4.2534 4.2819 4.2819 4.3268 4.6147 4.6147 4.6198 4.7215 4.8008 4.8008 4.8679 4.8679 5.5511 5.5511 5.7714 5.7930 5.8302 5.8302 7.6809 7.6809 7.6820 7.6836 7.9060 7.9060 8.3009 8.3009 8.3033 8.3068 10.3384 10.3384 11.7177 11.7185 k = 0.2549 0.2549 0.2549 ( 5929 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8489 -31.8489 -31.8489 -31.8489 -7.1603 -7.1603 -6.4750 -6.4750 -6.4731 -6.4690 -6.4340 -6.4340 0.7996 0.8001 0.8001 0.8084 1.3848 1.3848 1.6282 1.6282 2.0352 2.0649 2.0709 2.0709 2.2756 2.2756 2.2777 2.2801 2.4051 2.4051 2.7147 2.7147 2.9034 2.9284 2.9284 2.9323 3.7305 3.7305 3.7472 3.8164 3.8379 3.8379 3.8932 3.9610 3.9610 3.9959 4.0641 4.0641 4.2550 4.2899 4.2899 4.3312 4.6113 4.6113 4.6270 4.7262 4.7749 4.7749 4.8464 4.8464 5.5956 5.5956 5.7787 5.7995 5.8372 5.8372 7.6916 7.6916 7.6930 7.6942 7.9235 7.9235 8.3110 8.3110 8.3120 8.3161 10.3629 10.3629 11.7181 11.7187 k = 0.2647 0.2647 0.2647 ( 5911 PWs) bands (ev): -58.2392 -58.2392 -32.6733 -32.6733 -31.8490 -31.8490 -31.8490 -31.8490 -7.1357 -7.1357 -6.4837 -6.4837 -6.4817 -6.4776 -6.4410 -6.4410 0.8126 0.8131 0.8131 0.8218 1.3561 1.3561 1.6348 1.6348 2.0389 2.0680 2.0737 2.0737 2.2688 2.2688 2.2694 2.2719 2.3950 2.3950 2.6923 2.6923 2.8930 2.9186 2.9186 2.9214 3.7303 3.7303 3.7447 3.8215 3.8411 3.8411 3.9073 3.9616 3.9616 4.0020 4.0633 4.0633 4.2561 4.2974 4.2974 4.3350 4.6040 4.6040 4.6341 4.7308 4.7503 4.7503 4.8284 4.8284 5.6402 5.6402 5.7881 5.8080 5.8461 5.8461 7.7021 7.7021 7.7037 7.7046 7.9431 7.9431 8.3211 8.3215 8.3215 8.3259 10.3844 10.3844 11.7121 11.7135 k = 0.2745 0.2745 0.2745 ( 5911 PWs) bands (ev): -58.2392 -58.2392 -32.6733 -32.6733 -31.8490 -31.8490 -31.8490 -31.8490 -7.1110 -7.1110 -6.4922 -6.4922 -6.4902 -6.4862 -6.4481 -6.4481 0.8240 0.8242 0.8242 0.8334 1.3250 1.3250 1.6412 1.6412 2.0429 2.0712 2.0767 2.0767 2.2631 2.2638 2.2638 2.2655 2.3851 2.3851 2.6728 2.6728 2.8829 2.9092 2.9092 2.9108 3.7297 3.7297 3.7431 3.8266 3.8445 3.8445 3.9205 3.9623 3.9623 4.0080 4.0625 4.0625 4.2569 4.3043 4.3043 4.3382 4.5913 4.5913 4.6406 4.7301 4.7301 4.7347 4.8119 4.8119 5.6846 5.6846 5.7997 5.8185 5.8572 5.8572 7.7123 7.7123 7.7142 7.7147 7.9647 7.9647 8.3308 8.3325 8.3325 8.3363 10.4031 10.4031 11.6988 11.6996 k = 0.2843 0.2843 0.2843 ( 5911 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8490 -31.8490 -31.8490 -31.8490 -7.0862 -7.0862 -6.5007 -6.5007 -6.4986 -6.4947 -6.4552 -6.4552 0.8335 0.8336 0.8336 0.8432 1.2925 1.2925 1.6467 1.6467 2.0470 2.0745 2.0798 2.0798 2.2585 2.2605 2.2605 2.2609 2.3755 2.3755 2.6565 2.6565 2.8733 2.9000 2.9000 2.9004 3.7288 3.7288 3.7424 3.8318 3.8481 3.8481 3.9329 3.9629 3.9629 4.0136 4.0618 4.0618 4.2575 4.3107 4.3107 4.3409 4.5729 4.5729 4.6461 4.7155 4.7155 4.7377 4.7960 4.7960 5.7286 5.7286 5.8137 5.8314 5.8708 5.8708 7.7224 7.7224 7.7245 7.7245 7.9882 7.9882 8.3410 8.3439 8.3439 8.3471 10.4192 10.4192 11.6771 11.6774 k = 0.2941 0.2941 0.2941 ( 5914 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8490 -31.8490 -31.8490 -31.8490 -7.0613 -7.0613 -6.5089 -6.5089 -6.5068 -6.5029 -6.4623 -6.4623 0.8412 0.8412 0.8413 0.8511 1.2591 1.2591 1.6504 1.6504 2.0516 2.0783 2.0835 2.0835 2.2555 2.2579 2.2587 2.2587 2.3663 2.3663 2.6435 2.6435 2.8640 2.8903 2.8912 2.8912 3.7280 3.7280 3.7428 3.8373 3.8517 3.8517 3.9445 3.9633 3.9633 4.0187 4.0609 4.0609 4.2581 4.3165 4.3165 4.3432 4.5502 4.5502 4.6504 4.7057 4.7057 4.7394 4.7803 4.7803 5.7720 5.7720 5.8304 5.8468 5.8871 5.8871 7.7322 7.7322 7.7341 7.7344 8.0133 8.0133 8.3517 8.3557 8.3557 8.3583 10.4331 10.4331 11.6463 11.6464 k = 0.3039 0.3039 0.3039 ( 5908 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8491 -31.8491 -31.8491 -31.8491 -7.0366 -7.0366 -6.5170 -6.5170 -6.5148 -6.5110 -6.4693 -6.4693 0.8470 0.8470 0.8473 0.8571 1.2254 1.2254 1.6520 1.6520 2.0567 2.0826 2.0877 2.0877 2.2539 2.2565 2.2582 2.2582 2.3575 2.3575 2.6342 2.6342 2.8551 2.8805 2.8827 2.8827 3.7271 3.7271 3.7440 3.8431 3.8554 3.8554 3.9553 3.9636 3.9636 4.0234 4.0600 4.0600 4.2588 4.3218 4.3218 4.3452 4.5252 4.5252 4.6532 4.6985 4.6985 4.7397 4.7646 4.7646 5.8144 5.8144 5.8497 5.8647 5.9063 5.9063 7.7418 7.7418 7.7434 7.7440 8.0400 8.0400 8.3627 8.3677 8.3677 8.3699 10.4450 10.4450 11.6059 11.6064 k = 0.3137 0.3137 0.3137 ( 5920 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8491 -31.8491 -31.8491 -31.8491 -7.0119 -7.0119 -6.5248 -6.5248 -6.5226 -6.5189 -6.4764 -6.4764 0.8510 0.8510 0.8515 0.8613 1.1916 1.1916 1.6513 1.6513 2.0623 2.0877 2.0926 2.0926 2.2534 2.2564 2.2587 2.2587 2.3491 2.3491 2.6283 2.6283 2.8466 2.8710 2.8746 2.8746 3.7263 3.7263 3.7463 3.8492 3.8592 3.8592 3.9636 3.9636 3.9653 4.0274 4.0590 4.0590 4.2595 4.3267 4.3267 4.3469 4.4997 4.4997 4.6543 4.6923 4.6923 4.7382 4.7490 4.7490 5.8557 5.8557 5.8715 5.8853 5.9286 5.9286 7.7511 7.7511 7.7525 7.7534 8.0679 8.0679 8.3740 8.3799 8.3799 8.3817 10.4552 10.4552 11.5565 11.5575 k = 0.3235 0.3235 0.3235 ( 5926 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8491 -31.8491 -31.8491 -31.8491 -6.9875 -6.9875 -6.5324 -6.5324 -6.5301 -6.5265 -6.4835 -6.4835 0.8533 0.8533 0.8541 0.8638 1.1581 1.1581 1.6484 1.6484 2.0686 2.0936 2.0983 2.0983 2.2538 2.2573 2.2599 2.2599 2.3411 2.3411 2.6259 2.6259 2.8385 2.8618 2.8667 2.8667 3.7256 3.7256 3.7495 3.8558 3.8629 3.8629 3.9633 3.9633 3.9745 4.0308 4.0577 4.0577 4.2605 4.3310 4.3310 4.3484 4.4751 4.4751 4.6537 4.6857 4.6857 4.7337 4.7337 4.7350 5.8952 5.8952 5.8959 5.9083 5.9542 5.9542 7.7602 7.7602 7.7614 7.7625 8.0969 8.0969 8.3855 8.3922 8.3922 8.3936 10.4638 10.4638 11.4991 11.5005 k = 0.3333 0.3333 0.3333 ( 5926 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8491 -31.8491 -31.8491 -31.8491 -6.9634 -6.9634 -6.5397 -6.5397 -6.5373 -6.5338 -6.4906 -6.4906 0.8541 0.8541 0.8551 0.8647 1.1251 1.1251 1.6432 1.6432 2.0756 2.1004 2.1049 2.1049 2.2548 2.2592 2.2617 2.2617 2.3338 2.3338 2.6268 2.6268 2.8308 2.8530 2.8593 2.8593 3.7250 3.7250 3.7536 3.8628 3.8667 3.8667 3.9626 3.9626 3.9830 4.0335 4.0562 4.0562 4.2618 4.3348 4.3348 4.3497 4.4521 4.4521 4.6514 4.6777 4.6777 4.7189 4.7189 4.7299 5.9225 5.9327 5.9327 5.9337 5.9831 5.9831 7.7692 7.7692 7.7702 7.7715 8.1268 8.1268 8.3971 8.4044 8.4044 8.4055 10.4710 10.4710 11.4348 11.4363 k = 0.3431 0.3431 0.3431 ( 5926 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8491 -31.8491 -31.8491 -31.8491 -6.9396 -6.9396 -6.5467 -6.5467 -6.5442 -6.5409 -6.4976 -6.4976 0.8534 0.8534 0.8548 0.8641 1.0928 1.0928 1.6361 1.6361 2.0833 2.1081 2.1124 2.1124 2.2563 2.2617 2.2637 2.2637 2.3272 2.3272 2.6307 2.6307 2.8236 2.8446 2.8522 2.8522 3.7245 3.7245 3.7587 3.8701 3.8706 3.8706 3.9615 3.9615 3.9908 4.0356 4.0545 4.0545 4.2635 4.3381 4.3381 4.3509 4.4316 4.4316 4.6473 4.6676 4.6676 4.7051 4.7051 4.7230 5.9513 5.9612 5.9682 5.9682 6.0150 6.0150 7.7781 7.7781 7.7789 7.7803 8.1573 8.1573 8.4085 8.4163 8.4163 8.4173 10.4771 10.4771 11.3649 11.3655 k = 0.3529 0.3529 0.3529 ( 5920 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8492 -31.8492 -31.8492 -31.8492 -6.9164 -6.9164 -6.5534 -6.5534 -6.5508 -6.5476 -6.5047 -6.5047 0.8515 0.8515 0.8532 0.8622 1.0614 1.0614 1.6273 1.6273 2.0915 2.1166 2.1205 2.1205 2.2580 2.2647 2.2658 2.2658 2.3213 2.3213 2.6373 2.6373 2.8169 2.8366 2.8455 2.8455 3.7241 3.7241 3.7647 3.8744 3.8744 3.8777 3.9600 3.9600 3.9979 4.0369 4.0525 4.0525 4.2657 4.3406 4.3406 4.3520 4.4140 4.4140 4.6417 4.6552 4.6552 4.6923 4.6923 4.7143 5.9818 5.9905 6.0023 6.0023 6.0488 6.0488 7.7870 7.7870 7.7875 7.7890 8.1881 8.1881 8.4197 8.4279 8.4279 8.4287 10.4822 10.4822 11.2908 11.2909 k = 0.3627 0.3627 0.3627 ( 5914 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8492 -31.8492 -31.8492 -31.8492 -6.8936 -6.8936 -6.5597 -6.5597 -6.5570 -6.5540 -6.5117 -6.5117 0.8486 0.8486 0.8506 0.8593 1.0311 1.0311 1.6171 1.6171 2.1004 2.1258 2.1294 2.1294 2.2598 2.2675 2.2675 2.2680 2.3162 2.3162 2.6460 2.6460 2.8107 2.8290 2.8392 2.8392 3.7236 3.7236 3.7715 3.8783 3.8783 3.8856 3.9579 3.9579 4.0044 4.0376 4.0502 4.0502 4.2684 4.3420 4.3420 4.3531 4.4002 4.4002 4.6346 4.6408 4.6408 4.6802 4.6802 4.7039 6.0136 6.0213 6.0357 6.0357 6.0833 6.0833 7.7959 7.7959 7.7962 7.7977 8.2191 8.2191 8.4305 8.4390 8.4390 8.4396 10.4865 10.4865 11.2136 11.2145 k = 0.3725 0.3725 0.3725 ( 5908 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8492 -31.8492 -31.8492 -31.8492 -6.8715 -6.8715 -6.5657 -6.5657 -6.5629 -6.5600 -6.5188 -6.5188 0.8449 0.8449 0.8472 0.8554 1.0021 1.0021 1.6059 1.6059 2.1097 2.1357 2.1387 2.1387 2.2615 2.2686 2.2686 2.2713 2.3121 2.3121 2.6566 2.6566 2.8049 2.8219 2.8334 2.8334 3.7231 3.7231 3.7792 3.8821 3.8821 3.8936 3.9553 3.9553 4.0102 4.0376 4.0477 4.0477 4.2716 4.3420 4.3420 4.3543 4.3906 4.3906 4.6250 4.6250 4.6262 4.6682 4.6682 4.6920 6.0464 6.0531 6.0688 6.0688 6.1175 6.1175 7.8048 7.8048 7.8049 7.8064 8.2499 8.2499 8.4407 8.4494 8.4494 8.4498 10.4901 10.4901 11.1353 11.1369 k = 0.3824 0.3824 0.3824 ( 5923 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8492 -31.8492 -31.8492 -31.8492 -6.8500 -6.8500 -6.5713 -6.5713 -6.5684 -6.5657 -6.5259 -6.5259 0.8405 0.8405 0.8431 0.8509 0.9745 0.9745 1.5940 1.5940 2.1194 2.1460 2.1485 2.1485 2.2629 2.2691 2.2691 2.2746 2.3091 2.3091 2.6686 2.6686 2.7997 2.8152 2.8280 2.8280 3.7225 3.7225 3.7875 3.8859 3.8859 3.9015 3.9522 3.9522 4.0153 4.0369 4.0451 4.0451 4.2755 4.3403 4.3403 4.3555 4.3856 4.3856 4.6084 4.6084 4.6167 4.6560 4.6560 4.6787 6.0796 6.0854 6.1015 6.1015 6.1509 6.1509 7.8137 7.8137 7.8137 7.8152 8.2802 8.2802 8.4502 8.4589 8.4589 8.4592 10.4931 10.4931 11.0573 11.0595 k = 0.3922 0.3922 0.3922 ( 5926 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8492 -31.8492 -31.8492 -31.8492 -6.8293 -6.8293 -6.5765 -6.5765 -6.5735 -6.5710 -6.5331 -6.5331 0.8356 0.8356 0.8387 0.8459 0.9485 0.9485 1.5818 1.5818 2.1294 2.1566 2.1584 2.1584 2.2640 2.2687 2.2687 2.2776 2.3071 2.3071 2.6815 2.6815 2.7949 2.8091 2.8231 2.8231 3.7217 3.7217 3.7965 3.8896 3.8896 3.9093 3.9485 3.9485 4.0198 4.0357 4.0425 4.0425 4.2800 4.3377 4.3377 4.3568 4.3844 4.3844 4.5913 4.5913 4.6064 4.6434 4.6434 4.6644 6.1128 6.1178 6.1337 6.1337 6.1829 6.1829 7.8227 7.8228 7.8228 7.8240 8.3097 8.3097 8.4589 8.4675 8.4675 8.4676 10.4957 10.4957 10.9809 10.9835 k = 0.4020 0.4020 0.4020 ( 5932 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.8094 -6.8094 -6.5813 -6.5813 -6.5782 -6.5759 -6.5403 -6.5403 0.8305 0.8305 0.8340 0.8406 0.9242 0.9242 1.5696 1.5696 2.1395 2.1675 2.1684 2.1684 2.2647 2.2677 2.2677 2.2803 2.3058 2.3058 2.6948 2.6948 2.7907 2.8034 2.8187 2.8187 3.7207 3.7207 3.8062 3.8932 3.8932 3.9166 3.9445 3.9445 4.0237 4.0340 4.0401 4.0401 4.2852 4.3353 4.3353 4.3582 4.3858 4.3858 4.5741 4.5741 4.5956 4.6304 4.6304 4.6491 6.1455 6.1497 6.1649 6.1649 6.2133 6.2133 7.8317 7.8319 7.8319 7.8329 8.3382 8.3382 8.4665 8.4749 8.4750 8.4750 10.4979 10.4979 10.9072 10.9102 k = 0.4118 0.4118 0.4118 ( 5944 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7904 -6.7904 -6.5857 -6.5857 -6.5825 -6.5804 -6.5476 -6.5476 0.8253 0.8253 0.8292 0.8352 0.9019 0.9019 1.5577 1.5577 2.1496 2.1782 2.1782 2.1783 2.2648 2.2662 2.2662 2.2824 2.3051 2.3051 2.7082 2.7082 2.7870 2.7983 2.8148 2.8148 3.7195 3.7195 3.8164 3.8968 3.8968 3.9234 3.9401 3.9401 4.0270 4.0321 4.0379 4.0379 4.2912 4.3339 4.3339 4.3597 4.3890 4.3890 4.5570 4.5570 4.5844 4.6169 4.6169 4.6332 6.1771 6.1806 6.1948 6.1948 6.2418 6.2418 7.8407 7.8410 7.8410 7.8419 8.3652 8.3652 8.4732 8.4812 8.4814 8.4814 10.4998 10.4998 10.8373 10.8405 k = 0.4216 0.4216 0.4216 ( 5944 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7724 -6.7724 -6.5897 -6.5897 -6.5863 -6.5844 -6.5550 -6.5550 0.8202 0.8202 0.8245 0.8299 0.8815 0.8815 1.5464 1.5464 2.1597 2.1877 2.1877 2.1890 2.2645 2.2647 2.2647 2.2839 2.3046 2.3046 2.7212 2.7212 2.7838 2.7937 2.8115 2.8115 3.7181 3.7181 3.8270 3.9001 3.9001 3.9291 3.9357 3.9357 4.0297 4.0300 4.0361 4.0361 4.2979 4.3339 4.3339 4.3613 4.3935 4.3935 4.5402 4.5402 4.5732 4.6032 4.6032 4.6171 6.2071 6.2101 6.2228 6.2228 6.2683 6.2683 7.8497 7.8500 7.8500 7.8507 8.3905 8.3905 8.4787 8.4862 8.4866 8.4866 10.5014 10.5014 10.7721 10.7754 k = 0.4314 0.4314 0.4314 ( 5932 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7553 -6.7553 -6.5933 -6.5933 -6.5897 -6.5881 -6.5624 -6.5624 0.8153 0.8153 0.8200 0.8248 0.8633 0.8633 1.5360 1.5360 2.1697 2.1967 2.1967 2.1994 2.2634 2.2634 2.2636 2.2847 2.3041 2.3041 2.7335 2.7335 2.7811 2.7896 2.8088 2.8088 3.7166 3.7166 3.8380 3.9033 3.9033 3.9313 3.9313 3.9337 4.0281 4.0318 4.0345 4.0345 4.3053 4.3352 4.3352 4.3629 4.3988 4.3988 4.5239 4.5239 4.5622 4.5895 4.5895 4.6009 6.2351 6.2375 6.2485 6.2485 6.2926 6.2926 7.8585 7.8588 7.8588 7.8594 8.4137 8.4137 8.4832 8.4900 8.4907 8.4907 10.5028 10.5028 10.7125 10.7157 k = 0.4412 0.4412 0.4412 ( 5929 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7394 -6.7394 -6.5964 -6.5964 -6.5926 -6.5912 -6.5698 -6.5698 0.8108 0.8108 0.8160 0.8201 0.8474 0.8474 1.5265 1.5265 2.1794 2.2048 2.2048 2.2092 2.2622 2.2625 2.2625 2.2847 2.3033 2.3033 2.7446 2.7446 2.7788 2.7860 2.8067 2.8067 3.7149 3.7149 3.8492 3.9061 3.9061 3.9272 3.9272 3.9365 4.0266 4.0333 4.0333 4.0333 4.3132 4.3379 4.3379 4.3645 4.4047 4.4047 4.5083 4.5083 4.5518 4.5759 4.5759 4.5850 6.2604 6.2624 6.2714 6.2714 6.3145 6.3145 7.8670 7.8672 7.8672 7.8677 8.4345 8.4345 8.4867 8.4928 8.4938 8.4938 10.5041 10.5041 10.6592 10.6623 k = 0.4510 0.4510 0.4510 ( 5929 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7247 -6.7247 -6.5991 -6.5991 -6.5951 -6.5939 -6.5772 -6.5772 0.8066 0.8066 0.8124 0.8158 0.8339 0.8339 1.5182 1.5182 2.1887 2.2119 2.2119 2.2182 2.2605 2.2622 2.2622 2.2839 2.3021 2.3021 2.7543 2.7543 2.7770 2.7830 2.8053 2.8053 3.7133 3.7133 3.8604 3.9086 3.9086 3.9235 3.9235 3.9375 4.0258 4.0324 4.0324 4.0342 4.3216 4.3416 4.3416 4.3658 4.4112 4.4112 4.4935 4.4935 4.5423 4.5628 4.5628 4.5699 6.2828 6.2843 6.2912 6.2912 6.3338 6.3338 7.8747 7.8750 7.8750 7.8753 8.4527 8.4527 8.4893 8.4946 8.4959 8.4959 10.5051 10.5051 10.6130 10.6157 k = 0.4608 0.4608 0.4608 ( 5926 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7115 -6.7115 -6.6013 -6.6013 -6.5971 -6.5962 -6.5843 -6.5843 0.8029 0.8029 0.8094 0.8122 0.8228 0.8228 1.5113 1.5113 2.1976 2.2176 2.2176 2.2259 2.2588 2.2627 2.2627 2.2822 2.3007 2.3007 2.7621 2.7621 2.7757 2.7804 2.8046 2.8046 3.7117 3.7117 3.8717 3.9106 3.9106 3.9204 3.9204 3.9363 4.0258 4.0318 4.0318 4.0345 4.3301 4.3460 4.3460 4.3667 4.4180 4.4180 4.4800 4.4800 4.5341 4.5505 4.5505 4.5559 6.3016 6.3028 6.3075 6.3075 6.3501 6.3501 7.8817 7.8819 7.8819 7.8821 8.4680 8.4680 8.4912 8.4955 8.4973 8.4973 10.5060 10.5060 10.5744 10.5768 k = 0.4706 0.4706 0.4706 ( 5929 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7001 -6.7001 -6.6032 -6.6032 -6.5987 -6.5980 -6.5908 -6.5908 0.7997 0.7997 0.8071 0.8092 0.8144 0.8144 1.5057 1.5057 2.2060 2.2218 2.2218 2.2313 2.2580 2.2640 2.2640 2.2796 2.2990 2.2990 2.7679 2.7679 2.7748 2.7783 2.8045 2.8045 3.7103 3.7103 3.8827 3.9121 3.9121 3.9181 3.9181 3.9330 4.0264 4.0314 4.0314 4.0342 4.3386 4.3506 4.3506 4.3667 4.4247 4.4247 4.4681 4.4681 4.5275 4.5395 4.5395 4.5437 6.3167 6.3175 6.3203 6.3203 6.3632 6.3632 7.8874 7.8876 7.8876 7.8878 8.4800 8.4800 8.4925 8.4958 8.4982 8.4982 10.5065 10.5065 10.5440 10.5458 k = 0.4804 0.4804 0.4804 ( 5917 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.6910 -6.6910 -6.6048 -6.6048 -6.5998 -6.5993 -6.5961 -6.5961 0.7970 0.7970 0.8055 0.8069 0.8087 0.8087 1.5017 1.5017 2.2138 2.2247 2.2247 2.2331 2.2594 2.2656 2.2656 2.2762 2.2973 2.2973 2.7718 2.7718 2.7743 2.7766 2.8049 2.8049 3.7093 3.7093 3.8934 3.9128 3.9128 3.9168 3.9168 3.9278 4.0277 4.0311 4.0311 4.0335 4.3465 4.3549 4.3549 4.3657 4.4311 4.4311 4.4582 4.4582 4.5231 4.5305 4.5305 4.5338 6.3278 6.3283 6.3295 6.3295 6.3728 6.3728 7.8918 7.8919 7.8919 7.8920 8.4886 8.4886 8.4934 8.4957 8.4988 8.4988 10.5066 10.5066 10.5221 10.5233 k = 0.4902 0.4902 0.4902 ( 5904 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.6849 -6.6849 -6.6062 -6.6062 -6.6004 -6.6001 -6.5994 -6.5994 0.7951 0.7951 0.8046 0.8053 0.8056 0.8056 1.4993 1.4993 2.2208 2.2262 2.2262 2.2312 2.2630 2.2670 2.2670 2.2722 2.2960 2.2960 2.7740 2.7740 2.7743 2.7754 2.8054 2.8054 3.7086 3.7086 3.9034 3.9128 3.9128 3.9165 3.9165 3.9209 4.0294 4.0310 4.0310 4.0324 4.3535 4.3580 4.3580 4.3633 4.4364 4.4364 4.4508 4.4508 4.5213 4.5245 4.5245 4.5265 6.3345 6.3348 6.3350 6.3350 6.3787 6.3787 7.8945 7.8946 7.8946 7.8946 8.4934 8.4934 8.4942 8.4953 8.4994 8.4994 10.5058 10.5058 10.5089 10.5096 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2392 -58.2392 -32.6737 -32.6737 -31.8493 -31.8493 -31.8493 -31.8493 -6.6828 -6.6828 -6.6069 -6.6069 -6.6005 -6.6005 -6.6005 -6.6005 0.7945 0.7945 0.8046 0.8046 0.8046 0.8046 1.4985 1.4985 2.2267 2.2267 2.2267 2.2267 2.2676 2.2676 2.2676 2.2676 2.2955 2.2955 2.7747 2.7747 2.7747 2.7747 2.8056 2.8056 3.7084 3.7084 3.9127 3.9127 3.9127 3.9127 3.9165 3.9165 4.0310 4.0310 4.0310 4.0310 4.3592 4.3592 4.3592 4.3592 4.4392 4.4392 4.4473 4.4473 4.5223 4.5223 4.5223 4.5223 6.3369 6.3369 6.3369 6.3369 6.3806 6.3806 7.8955 7.8955 7.8955 7.8955 8.4948 8.4948 8.4948 8.4948 8.4999 8.4999 10.5047 10.5047 10.5047 10.5047 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2392 -58.2392 -32.6737 -32.6737 -31.8493 -31.8493 -31.8493 -31.8493 -6.6828 -6.6828 -6.6069 -6.6069 -6.6005 -6.6005 -6.6005 -6.6005 0.7945 0.7945 0.8046 0.8046 0.8046 0.8046 1.4985 1.4985 2.2267 2.2267 2.2267 2.2267 2.2676 2.2676 2.2676 2.2676 2.2955 2.2955 2.7747 2.7747 2.7747 2.7747 2.8056 2.8056 3.7084 3.7084 3.9127 3.9127 3.9127 3.9127 3.9165 3.9165 4.0310 4.0310 4.0310 4.0310 4.3592 4.3592 4.3592 4.3592 4.4392 4.4392 4.4473 4.4473 4.5223 4.5223 4.5223 4.5223 6.3369 6.3369 6.3369 6.3369 6.3806 6.3806 7.8955 7.8955 7.8955 7.8955 8.4948 8.4948 8.4948 8.4948 8.4999 8.4999 10.5047 10.5047 10.5047 10.5047 k = 0.4881 0.5000 0.4881 ( 5904 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.6849 -6.6849 -6.6063 -6.6063 -6.6004 -6.6002 -6.5994 -6.5993 0.7951 0.7951 0.8047 0.8053 0.8054 0.8056 1.4993 1.4993 2.2210 2.2249 2.2276 2.2310 2.2631 2.2659 2.2682 2.2720 2.2960 2.2961 2.7739 2.7742 2.7743 2.7754 2.8054 2.8054 3.7086 3.7086 3.9038 3.9106 3.9147 3.9164 3.9168 3.9206 4.0294 4.0306 4.0314 4.0324 4.3535 4.3570 4.3591 4.3632 4.4363 4.4368 4.4503 4.4510 4.5213 4.5239 4.5249 4.5266 6.3343 6.3345 6.3352 6.3354 6.3787 6.3787 7.8940 7.8941 7.8951 7.8951 8.4932 8.4937 8.4942 8.4952 8.4993 8.4995 10.5061 10.5064 10.5085 10.5090 k = 0.4762 0.5000 0.4762 ( 5922 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.6908 -6.6908 -6.6053 -6.6051 -6.5999 -6.5995 -6.5958 -6.5956 0.7970 0.7970 0.8057 0.8070 0.8082 0.8086 1.5017 1.5017 2.2142 2.2223 2.2269 2.2333 2.2589 2.2640 2.2676 2.2758 2.2972 2.2976 2.7718 2.7725 2.7741 2.7763 2.8049 2.8049 3.7092 3.7093 3.8942 3.9090 3.9147 3.9160 3.9190 3.9274 4.0278 4.0303 4.0318 4.0335 4.3458 4.3538 4.3564 4.3661 4.4312 4.4332 4.4554 4.4587 4.5229 4.5298 4.5301 4.5347 6.3269 6.3274 6.3304 6.3307 6.3730 6.3731 7.8898 7.8900 7.8939 7.8940 8.4881 8.4897 8.4934 8.4953 8.4984 8.4991 10.5091 10.5101 10.5181 10.5185 k = 0.4643 0.5000 0.4643 ( 5930 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.6996 -6.6996 -6.6046 -6.6044 -6.5987 -6.5980 -6.5901 -6.5897 0.7997 0.7997 0.8079 0.8097 0.8131 0.8138 1.5056 1.5056 2.2066 2.2189 2.2242 2.2335 2.2546 2.2633 2.2658 2.2790 2.2989 2.2999 2.7683 2.7693 2.7742 2.7774 2.8043 2.8045 3.7102 3.7104 3.8840 3.9078 3.9136 3.9154 3.9222 3.9332 4.0265 4.0301 4.0323 4.0344 4.3364 4.3501 4.3515 4.3677 4.4265 4.4301 4.4609 4.4683 4.5273 4.5378 4.5390 4.5459 6.3146 6.3154 6.3224 6.3229 6.3637 6.3640 7.8831 7.8834 7.8920 7.8922 8.4794 8.4821 8.4924 8.4947 8.4978 8.4987 10.5133 10.5150 10.5320 10.5321 k = 0.4524 0.5000 0.4524 ( 5934 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7105 -6.7105 -6.6044 -6.6042 -6.5965 -6.5957 -6.5831 -6.5826 0.8025 0.8028 0.8116 0.8137 0.8202 0.8212 1.5111 1.5111 2.1983 2.2149 2.2188 2.2325 2.2494 2.2632 2.2647 2.2816 2.3009 2.3027 2.7631 2.7646 2.7743 2.7786 2.8042 2.8044 3.7115 3.7118 3.8733 3.9071 3.9121 3.9147 3.9252 3.9382 4.0257 4.0300 4.0326 4.0352 4.3261 4.3455 4.3461 4.3676 4.4237 4.4282 4.4663 4.4788 4.5345 4.5480 4.5504 4.5590 6.2975 6.2987 6.3111 6.3118 6.3515 6.3521 7.8743 7.8747 7.8895 7.8897 8.4675 8.4711 8.4910 8.4934 8.4973 8.4980 10.5187 10.5211 10.5504 10.5509 k = 0.4405 0.5000 0.4405 ( 5932 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7230 -6.7228 -6.6047 -6.6045 -6.5934 -6.5925 -6.5753 -6.5748 0.8053 0.8061 0.8168 0.8189 0.8296 0.8309 1.5179 1.5180 2.1894 2.2103 2.2114 2.2307 2.2433 2.2598 2.2675 2.2837 2.3030 2.3055 2.7562 2.7581 2.7745 2.7797 2.8050 2.8052 3.7130 3.7135 3.8625 3.9066 3.9102 3.9141 3.9272 3.9429 4.0255 4.0300 4.0326 4.0360 4.3155 4.3390 4.3421 4.3657 4.4232 4.4279 4.4715 4.4897 4.5444 4.5608 4.5630 4.5731 6.2758 6.2774 6.2966 6.2976 6.3366 6.3376 7.8637 7.8644 7.8862 7.8864 8.4525 8.4570 8.4890 8.4915 8.4963 8.4968 10.5258 10.5287 10.5740 10.5747 k = 0.4286 0.5000 0.4286 ( 5928 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7365 -6.7364 -6.6052 -6.6050 -6.5895 -6.5885 -6.5672 -6.5666 0.8082 0.8096 0.8233 0.8254 0.8412 0.8427 1.5262 1.5263 2.1800 2.2024 2.2051 2.2283 2.2365 2.2557 2.2709 2.2855 2.3050 2.3083 2.7475 2.7499 2.7746 2.7806 2.8068 2.8070 3.7145 3.7153 3.8518 3.9058 3.9079 3.9140 3.9275 3.9480 4.0259 4.0302 4.0323 4.0368 4.3050 4.3325 4.3382 4.3622 4.4249 4.4290 4.4766 4.5006 4.5561 4.5760 4.5764 4.5877 6.2499 6.2518 6.2790 6.2802 6.3194 6.3209 7.8519 7.8528 7.8822 7.8823 8.4347 8.4400 8.4863 8.4888 8.4946 8.4948 10.5347 10.5381 10.6025 10.6034 k = 0.4167 0.5000 0.4167 ( 5928 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7510 -6.7508 -6.6061 -6.6059 -6.5849 -6.5837 -6.5589 -6.5582 0.8112 0.8132 0.8310 0.8331 0.8549 0.8565 1.5356 1.5359 2.1702 2.1926 2.1995 2.2242 2.2301 2.2512 2.2745 2.2870 2.3071 2.3109 2.7371 2.7398 2.7748 2.7815 2.8098 2.8099 3.7158 3.7169 3.8413 3.9046 3.9052 3.9147 3.9261 3.9537 4.0268 4.0306 4.0316 4.0377 4.2951 4.3263 4.3346 4.3581 4.4281 4.4313 4.4821 4.5114 4.5691 4.5904 4.5932 4.6023 6.2202 6.2226 6.2585 6.2598 6.3003 6.3021 7.8393 7.8406 7.8775 7.8776 8.4144 8.4205 8.4827 8.4853 8.4918 8.4918 10.5453 10.5493 10.6358 10.6368 k = 0.4048 0.5000 0.4048 ( 5944 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7663 -6.7660 -6.6072 -6.6071 -6.5796 -6.5783 -6.5505 -6.5497 0.8144 0.8169 0.8397 0.8418 0.8704 0.8722 1.5461 1.5465 2.1600 2.1821 2.1933 2.2171 2.2255 2.2461 2.2781 2.2883 2.3093 2.3134 2.7250 2.7280 2.7752 2.7825 2.8137 2.8140 3.7168 3.7178 3.8314 3.9021 3.9027 3.9161 3.9235 3.9599 4.0276 4.0306 4.0316 4.0387 4.2858 4.3208 4.3317 4.3540 4.4320 4.4344 4.4884 4.5225 4.5822 4.6050 4.6114 4.6172 6.1875 6.1901 6.2353 6.2368 6.2792 6.2813 7.8263 7.8279 7.8721 7.8721 8.3920 8.3986 8.4779 8.4808 8.4877 8.4878 10.5579 10.5623 10.6737 10.6748 k = 0.3929 0.5000 0.3929 ( 5948 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8492 -31.8492 -6.7822 -6.7819 -6.6087 -6.6086 -6.5736 -6.5722 -6.5420 -6.5412 0.8177 0.8208 0.8493 0.8515 0.8877 0.8895 1.5576 1.5581 2.1495 2.1712 2.1866 2.2082 2.2217 2.2407 2.2815 2.2895 2.3117 2.3159 2.7115 2.7147 2.7760 2.7838 2.8185 2.8191 3.7174 3.7179 3.8225 3.8984 3.9005 3.9183 3.9204 3.9664 4.0282 4.0294 4.0333 4.0397 4.2776 4.3161 4.3297 4.3504 4.4361 4.4377 4.4958 4.5338 4.5946 4.6206 4.6268 4.6354 6.1523 6.1551 6.2098 6.2114 6.2562 6.2585 7.8132 7.8152 7.8660 7.8661 8.3677 8.3747 8.4721 8.4751 8.4825 8.4825 10.5725 10.5772 10.7159 10.7171 k = 0.3810 0.5000 0.3810 ( 5948 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8492 -31.8492 -6.7987 -6.7983 -6.6104 -6.6104 -6.5670 -6.5655 -6.5335 -6.5326 0.8211 0.8247 0.8596 0.8619 0.9065 0.9084 1.5698 1.5705 2.1389 2.1601 2.1796 2.1984 2.2179 2.2349 2.2846 2.2905 2.3145 2.3185 2.6967 2.7001 2.7773 2.7858 2.8242 2.8250 3.7167 3.7173 3.8150 3.8940 3.8981 3.9175 3.9208 3.9729 4.0281 4.0285 4.0355 4.0409 4.2704 4.3123 4.3288 4.3475 4.4401 4.4409 4.5047 4.5456 4.6056 4.6375 4.6389 4.6569 6.1155 6.1182 6.1824 6.1841 6.2313 6.2336 7.8003 7.8027 7.8590 7.8595 8.3419 8.3491 8.4649 8.4683 8.4759 8.4760 10.5888 10.5940 10.7623 10.7635 k = 0.3690 0.5000 0.3690 ( 5936 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8492 -31.8492 -6.8155 -6.8151 -6.6126 -6.6125 -6.5598 -6.5582 -6.5249 -6.5239 0.8245 0.8286 0.8707 0.8730 0.9267 0.9286 1.5825 1.5835 2.1283 2.1489 2.1722 2.1881 2.2139 2.2289 2.2874 2.2915 2.3180 2.3214 2.6808 2.6842 2.7794 2.7884 2.8306 2.8316 3.7137 3.7164 3.8093 3.8888 3.8955 3.9153 3.9236 3.9793 4.0268 4.0286 4.0379 4.0420 4.2644 4.3096 4.3292 4.3456 4.4437 4.4439 4.5148 4.5578 4.6146 4.6492 4.6555 4.6798 6.0776 6.0801 6.1536 6.1552 6.2047 6.2068 7.7877 7.7906 7.8514 7.8522 8.3150 8.3223 8.4565 8.4601 8.4681 8.4682 10.6070 10.6124 10.8125 10.8137 k = 0.3571 0.5000 0.3571 ( 5920 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8492 -31.8492 -6.8328 -6.8324 -6.6150 -6.6150 -6.5520 -6.5503 -6.5162 -6.5152 0.8278 0.8324 0.8822 0.8847 0.9482 0.9500 1.5955 1.5968 2.1176 2.1376 2.1645 2.1775 2.2096 2.2227 2.2899 2.2926 2.3220 2.3246 2.6638 2.6673 2.7824 2.7919 2.8377 2.8387 3.7090 3.7145 3.8054 3.8831 3.8928 3.9143 3.9265 3.9851 4.0257 4.0288 4.0402 4.0432 4.2597 4.3081 4.3309 4.3447 4.4466 4.4468 4.5262 4.5706 4.6216 4.6576 4.6744 4.7036 6.0393 6.0414 6.1237 6.1251 6.1765 6.1780 7.7756 7.7791 7.8429 7.8442 8.2874 8.2945 8.4468 8.4505 8.4589 8.4591 10.6268 10.6324 10.8664 10.8676 k = 0.3452 0.5000 0.3452 ( 5928 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8493 -31.8493 -31.8492 -31.8492 -6.8504 -6.8499 -6.6179 -6.6179 -6.5437 -6.5420 -6.5075 -6.5064 0.8309 0.8360 0.8942 0.8968 0.9706 0.9724 1.6085 1.6102 2.1070 2.1264 2.1566 2.1667 2.2051 2.2163 2.2923 2.2940 2.3267 2.3282 2.6461 2.6494 2.7864 2.7963 2.8455 2.8465 3.7025 3.7115 3.8030 3.8769 3.8899 3.9144 3.9293 3.9903 4.0248 4.0288 4.0424 4.0445 4.2563 4.3077 4.3338 4.3449 4.4490 4.4491 4.5383 4.5839 4.6267 4.6639 4.6939 4.7279 6.0010 6.0025 6.0930 6.0941 6.1466 6.1475 7.7642 7.7681 7.8336 7.8355 8.2595 8.2663 8.4358 8.4395 8.4484 8.4489 10.6480 10.6538 10.9236 10.9248 k = 0.3333 0.5000 0.3333 ( 5944 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8493 -31.8493 -31.8491 -31.8491 -6.8682 -6.8676 -6.6211 -6.6211 -6.5350 -6.5331 -6.4986 -6.4975 0.8337 0.8392 0.9064 0.9092 0.9939 0.9955 1.6214 1.6235 2.0965 2.1153 2.1485 2.1557 2.2005 2.2098 2.2949 2.2958 2.3320 2.3323 2.6276 2.6308 2.7914 2.8016 2.8538 2.8547 3.6947 3.7074 3.8019 3.8705 3.8871 3.9158 3.9316 3.9946 4.0242 4.0288 4.0444 4.0458 4.2542 4.3086 4.3378 4.3461 4.4508 4.4513 4.5510 4.5975 4.6298 4.6681 4.7139 4.7526 5.9634 5.9638 6.0619 6.0625 6.1152 6.1156 7.7534 7.7577 7.8233 7.8260 8.2318 8.2379 8.4236 8.4271 8.4367 8.4377 10.6705 10.6764 10.9839 10.9850 k = 0.3214 0.5000 0.3214 ( 5932 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8492 -31.8492 -31.8491 -31.8491 -6.8861 -6.8855 -6.6246 -6.6246 -6.5257 -6.5238 -6.4897 -6.4885 0.8361 0.8420 0.9188 0.9217 1.0178 1.0192 1.6338 1.6365 2.0864 2.1045 2.1405 2.1450 2.1957 2.2033 2.2979 2.2984 2.3369 2.3379 2.6088 2.6117 2.7976 2.8079 2.8628 2.8635 3.6860 3.7022 3.8017 3.8642 3.8842 3.9184 3.9334 3.9980 4.0241 4.0288 4.0463 4.0475 4.2536 4.3105 4.3429 4.3486 4.4516 4.4537 4.5635 4.6117 4.6317 4.6701 4.7342 4.7777 5.9257 5.9266 6.0307 6.0308 6.0816 6.0837 7.7432 7.7481 7.8120 7.8157 8.2047 8.2099 8.4103 8.4132 8.4239 8.4256 10.6939 10.6999 11.0470 11.0481 k = 0.3095 0.5000 0.3095 ( 5932 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8492 -31.8492 -31.8491 -31.8491 -6.9041 -6.9035 -6.6285 -6.6285 -6.5161 -6.5142 -6.4807 -6.4795 0.8380 0.8443 0.9312 0.9342 1.0421 1.0433 1.6455 1.6487 2.0765 2.0941 2.1325 2.1344 2.1907 2.1969 2.3015 2.3019 2.3420 2.3443 2.5896 2.5922 2.8051 2.8153 2.8722 2.8727 3.6768 3.6961 3.8019 3.8580 3.8814 3.9221 3.9342 4.0004 4.0244 4.0285 4.0481 4.0496 4.2542 4.3135 4.3485 4.3522 4.4517 4.4563 4.5746 4.6259 4.6333 4.6699 4.7547 4.8028 5.8883 5.8909 5.9989 6.0000 6.0469 6.0513 7.7338 7.7390 7.7996 7.8043 8.1787 8.1827 8.3957 8.3981 8.4102 8.4128 10.7180 10.7240 11.1126 11.1137 k = 0.2976 0.5000 0.2976 ( 5932 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8492 -31.8492 -31.8490 -31.8490 -6.9221 -6.9215 -6.6327 -6.6327 -6.5062 -6.5042 -6.4716 -6.4704 0.8392 0.8459 0.9435 0.9466 1.0666 1.0674 1.6563 1.6602 2.0671 2.0842 2.1242 2.1247 2.1857 2.1905 2.3059 2.3064 2.3476 2.3512 2.5702 2.5724 2.8138 2.8238 2.8822 2.8823 3.6674 3.6892 3.8022 3.8520 3.8786 3.9268 3.9340 4.0017 4.0252 4.0279 4.0499 4.0523 4.2560 4.3172 4.3542 4.3571 4.4508 4.4592 4.5821 4.6370 4.6394 4.6687 4.7752 4.8280 5.8514 5.8562 5.9674 5.9699 6.0115 6.0191 7.7250 7.7307 7.7858 7.7919 8.1542 8.1567 8.3800 8.3817 8.3958 8.3994 10.7425 10.7484 11.1803 11.1815 k = 0.2857 0.5000 0.2857 ( 5928 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8492 -31.8492 -31.8490 -31.8490 -6.9400 -6.9394 -6.6372 -6.6372 -6.4960 -6.4939 -6.4624 -6.4612 0.8398 0.8468 0.9555 0.9587 1.0910 1.0915 1.6661 1.6706 2.0582 2.0748 2.1145 2.1172 2.1807 2.1843 2.3113 2.3122 2.3538 2.3585 2.5510 2.5526 2.8239 2.8335 2.8924 2.8927 3.6582 3.6817 3.8025 3.8462 3.8759 3.9324 3.9327 4.0021 4.0262 4.0269 4.0518 4.0558 4.2590 4.3216 4.3595 4.3631 4.4490 4.4627 4.5834 4.6457 4.6476 4.6708 4.7957 4.8530 5.8147 5.8224 5.9365 5.9407 5.9760 5.9876 7.7169 7.7230 7.7707 7.7782 8.1316 8.1325 8.3631 8.3642 8.3811 8.3855 10.7670 10.7729 11.2500 11.2512 k = 0.2738 0.5000 0.2738 ( 5942 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8492 -31.8492 -31.8490 -31.8490 -6.9578 -6.9572 -6.6420 -6.6419 -6.4855 -6.4834 -6.4532 -6.4520 0.8396 0.8468 0.9671 0.9703 1.1152 1.1153 1.6747 1.6799 2.0499 2.0660 2.1054 2.1100 2.1756 2.1781 2.3177 2.3191 2.3604 2.3661 2.5319 2.5329 2.8353 2.8443 2.9030 2.9037 3.6492 3.6737 3.8024 3.8406 3.8731 3.9302 3.9386 4.0013 4.0255 4.0272 4.0537 4.0603 4.2631 4.3263 4.3638 4.3704 4.4462 4.4667 4.5783 4.6448 4.6595 4.6821 4.8159 4.8778 5.7778 5.7887 5.9066 5.9127 5.9413 5.9575 7.7095 7.7159 7.7541 7.7631 8.1102 8.1112 8.3451 8.3458 8.3661 8.3713 10.7913 10.7970 11.3211 11.3225 k = 0.2619 0.5000 0.2619 ( 5954 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8492 -31.8492 -31.8490 -31.8490 -6.9754 -6.9748 -6.6469 -6.6469 -6.4748 -6.4727 -6.4440 -6.4428 0.8385 0.8460 0.9782 0.9815 1.1386 1.1389 1.6821 1.6879 2.0424 2.0581 2.0970 2.1033 2.1706 2.1722 2.3251 2.3272 2.3675 2.3740 2.5133 2.5135 2.8481 2.8562 2.9141 2.9153 3.6406 3.6655 3.8020 3.8352 3.8706 3.9267 3.9456 3.9995 4.0239 4.0281 4.0558 4.0659 4.2680 4.3312 4.3667 4.3787 4.4426 4.4711 4.5689 4.6357 4.6773 4.6983 4.8358 4.9022 5.7399 5.7547 5.8781 5.8858 5.9085 5.9295 7.7026 7.7094 7.7360 7.7466 8.0904 8.0932 8.3262 8.3265 8.3511 8.3569 10.8151 10.8205 11.3934 11.3949 k = 0.2500 0.5000 0.2500 ( 5940 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8492 -31.8492 -31.8489 -31.8489 -6.9927 -6.9921 -6.6520 -6.6520 -6.4640 -6.4619 -6.4348 -6.4336 0.8366 0.8442 0.9887 0.9921 1.1612 1.1620 1.6881 1.6946 2.0357 2.0510 2.0894 2.0972 2.1656 2.1664 2.3334 2.3364 2.3752 2.3822 2.4946 2.4953 2.8622 2.8694 2.9256 2.9273 3.6326 3.6573 3.8012 3.8301 3.8682 3.9223 3.9530 3.9966 4.0225 4.0289 4.0581 4.0724 4.2738 4.3362 4.3679 4.3879 4.4382 4.4757 4.5569 4.6237 4.6979 4.7163 4.8554 4.9261 5.7007 5.7195 5.8516 5.8593 5.8796 5.9040 7.6964 7.7035 7.7166 7.7286 8.0731 8.0779 8.3066 8.3066 8.3361 8.3425 10.8380 10.8432 11.4664 11.4683 k = 0.2381 0.5000 0.2381 ( 5946 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8492 -31.8492 -31.8489 -31.8489 -7.0097 -7.0091 -6.6573 -6.6572 -6.4532 -6.4510 -6.4256 -6.4244 0.8337 0.8415 0.9985 1.0019 1.1828 1.1841 1.6930 1.6999 2.0300 2.0450 2.0827 2.0917 2.1607 2.1608 2.3423 2.3464 2.3833 2.3907 2.4762 2.4781 2.8777 2.8837 2.9376 2.9399 3.6251 3.6490 3.7997 3.8251 3.8659 3.9171 3.9606 3.9926 4.0211 4.0295 4.0606 4.0796 4.2801 4.3411 4.3674 4.3972 4.4334 4.4791 4.5441 4.6095 4.7206 4.7353 4.8744 4.9493 5.6596 5.6824 5.8272 5.8324 5.8561 5.8813 7.6906 7.6952 7.6988 7.7094 8.0584 8.0651 8.2864 8.2864 8.3214 8.3280 10.8599 10.8647 11.5399 11.5420 k = 0.2262 0.5000 0.2262 ( 5950 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8492 -31.8492 -31.8489 -31.8489 -7.0263 -7.0257 -6.6626 -6.6626 -6.4423 -6.4402 -6.4166 -6.4154 0.8300 0.8378 1.0076 1.0109 1.2033 1.2051 1.6967 1.7041 2.0253 2.0400 2.0769 2.0869 2.1555 2.1559 2.3514 2.3569 2.3919 2.3993 2.4586 2.4621 2.8946 2.8992 2.9502 2.9531 3.6183 3.6409 3.7977 3.8203 3.8639 3.9114 3.9684 3.9875 4.0200 4.0300 4.0633 4.0873 4.2867 4.3459 4.3651 4.4051 4.4299 4.4797 4.5330 4.5938 4.7451 4.7553 4.8929 4.9718 5.6166 5.6431 5.8052 5.8064 5.8375 5.8617 7.6741 7.6840 7.6904 7.6934 8.0464 8.0547 8.2661 8.2661 8.3068 8.3138 10.8804 10.8849 11.6133 11.6158 k = 0.2143 0.5000 0.2143 ( 5954 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8492 -31.8492 -31.8488 -31.8488 -7.0424 -7.0418 -6.6680 -6.6679 -6.4315 -6.4294 -6.4076 -6.4064 0.8253 0.8332 1.0157 1.0191 1.2226 1.2249 1.6992 1.7070 2.0219 2.0363 2.0720 2.0827 2.1503 2.1512 2.3604 2.3677 2.4010 2.4079 2.4419 2.4477 2.9127 2.9159 2.9632 2.9669 3.6120 3.6329 3.7949 3.8157 3.8622 3.9055 3.9758 3.9817 4.0193 4.0304 4.0661 4.0951 4.2931 4.3502 4.3611 4.4070 4.4320 4.4748 4.5267 4.5770 4.7710 4.7761 4.9107 4.9932 5.5720 5.6017 5.7824 5.7855 5.8228 5.8452 7.6518 7.6663 7.6820 7.6889 8.0367 8.0465 8.2458 8.2459 8.2927 8.2998 10.8994 10.9035 11.6861 11.6891 k = 0.2024 0.5000 0.2024 ( 5950 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8491 -31.8491 -31.8488 -31.8488 -7.0580 -7.0575 -6.6734 -6.6733 -6.4208 -6.4187 -6.3988 -6.3977 0.8199 0.8276 1.0230 1.0263 1.2406 1.2433 1.7008 1.7088 2.0196 2.0339 2.0680 2.0793 2.1455 2.1467 2.3683 2.3785 2.4103 2.4161 2.4263 2.4360 2.9319 2.9337 2.9769 2.9812 3.6064 3.6251 3.7915 3.8112 3.8609 3.8995 3.9742 3.9842 4.0189 4.0309 4.0691 4.1029 4.2990 4.3538 4.3558 4.4021 4.4408 4.4642 4.5262 4.5598 4.7974 4.7979 4.9277 5.0135 5.5259 5.5584 5.7610 5.7684 5.8113 5.8316 7.6291 7.6444 7.6776 7.6849 8.0291 8.0402 8.2259 8.2262 8.2789 8.2862 10.9167 10.9203 11.7580 11.7613 k = 0.1905 0.5000 0.1905 ( 5944 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8491 -31.8491 -31.8488 -31.8488 -7.0730 -7.0725 -6.6787 -6.6787 -6.4103 -6.4083 -6.3902 -6.3891 0.8137 0.8213 1.0295 1.0327 1.2570 1.2602 1.7015 1.7096 2.0187 2.0328 2.0649 2.0765 2.1408 2.1423 2.3735 2.3885 2.4112 2.4207 2.4210 2.4316 2.9523 2.9526 2.9911 2.9962 3.6013 3.6175 3.7874 3.8069 3.8598 3.8938 3.9671 3.9913 4.0189 4.0314 4.0721 4.1103 4.3032 4.3491 4.3561 4.3947 4.4513 4.4521 4.5294 4.5428 4.8191 4.8254 4.9439 5.0324 5.4789 5.5138 5.7425 5.7538 5.8025 5.8207 7.6064 7.6220 7.6738 7.6813 8.0231 8.0353 8.2068 8.2073 8.2657 8.2729 10.9321 10.9352 11.8282 11.8319 k = 0.1786 0.5000 0.1786 ( 5944 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8491 -31.8491 -31.8487 -31.8487 -7.0874 -7.0869 -6.6839 -6.6839 -6.4001 -6.3981 -6.3819 -6.3808 0.8068 0.8142 1.0350 1.0381 1.2720 1.2755 1.7014 1.7095 2.0191 2.0331 2.0626 2.0743 2.1365 2.1380 2.3740 2.3923 2.4044 2.4202 2.4306 2.4377 2.9723 2.9735 3.0058 3.0117 3.5966 3.6102 3.7826 3.8027 3.8592 3.8884 3.9594 3.9981 4.0195 4.0319 4.0750 4.1172 4.3047 4.3409 4.3561 4.3870 4.4396 4.4641 4.5269 4.5342 4.8409 4.8528 4.9591 5.0494 5.4312 5.4682 5.7272 5.7418 5.7959 5.8121 7.5838 7.5994 7.6706 7.6780 8.0183 8.0314 8.1890 8.1898 8.2530 8.2602 10.9456 10.9481 11.8964 11.8970 k = 0.1667 0.5000 0.1667 ( 5930 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8491 -31.8491 -31.8487 -31.8487 -7.1011 -7.1006 -6.6891 -6.6890 -6.3901 -6.3882 -6.3738 -6.3728 0.7994 0.8066 1.0397 1.0427 1.2853 1.2891 1.7007 1.7086 2.0208 2.0348 2.0611 2.0727 2.1324 2.1340 2.3693 2.3822 2.4118 2.4232 2.4405 2.4461 2.9929 2.9953 3.0211 3.0280 3.5921 3.6029 3.7773 3.7987 3.8588 3.8837 3.9517 4.0041 4.0207 4.0325 4.0776 4.1232 4.3026 4.3308 4.3524 4.3803 4.4321 4.4758 4.5139 4.5399 4.8625 4.8796 4.9734 5.0646 5.3833 5.4222 5.7151 5.7329 5.7912 5.8056 7.5617 7.5772 7.6678 7.6751 8.0141 8.0277 8.1730 8.1740 8.2410 8.2480 10.9569 10.9588 11.8568 11.8720 k = 0.1548 0.5000 0.1548 ( 5946 PWs) bands (ev): -58.2393 -58.2393 -32.6733 -32.6733 -31.8491 -31.8491 -31.8487 -31.8487 -7.1141 -7.1136 -6.6940 -6.6940 -6.3805 -6.3786 -6.3661 -6.3651 0.7917 0.7986 1.0435 1.0464 1.2971 1.3011 1.6994 1.7070 2.0238 2.0377 2.0603 2.0716 2.1285 2.1301 2.3618 2.3708 2.4211 2.4291 2.4501 2.4547 3.0140 3.0176 3.0370 3.0447 3.5876 3.5957 3.7718 3.7947 3.8586 3.8798 3.9438 4.0090 4.0230 4.0333 4.0796 4.1280 4.2968 4.3181 4.3450 4.3740 4.4303 4.4843 4.5074 4.5460 4.8837 4.9053 4.9864 5.0773 5.3356 5.3762 5.7063 5.7269 5.7881 5.8006 7.5403 7.5554 7.6653 7.6724 8.0098 8.0236 8.1594 8.1605 8.2296 8.2365 10.9660 10.9674 11.7830 11.7976 k = 0.1429 0.5000 0.1429 ( 5938 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8487 -31.8487 -7.1263 -7.1258 -6.6988 -6.6987 -6.3713 -6.3696 -6.3588 -6.3578 0.7837 0.7902 1.0466 1.0493 1.3075 1.3116 1.6976 1.7048 2.0281 2.0417 2.0601 2.0709 2.1250 2.1265 2.3534 2.3601 2.4301 2.4361 2.4594 2.4630 3.0355 3.0400 3.0534 3.0621 3.5830 3.5885 3.7663 3.7909 3.8586 3.8771 3.9362 4.0125 4.0265 4.0342 4.0808 4.1316 4.2880 4.3031 4.3350 4.3661 4.4341 4.4856 4.5129 4.5525 4.9042 4.9293 4.9982 5.0876 5.2886 5.3306 5.7011 5.7241 5.7862 5.7970 7.5199 7.5343 7.6632 7.6701 8.0049 8.0185 8.1487 8.1498 8.2190 8.2256 10.9730 10.9737 11.7100 11.7246 k = 0.1310 0.5000 0.1310 ( 5942 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1376 -7.1372 -6.7033 -6.7032 -6.3626 -6.3610 -6.3518 -6.3510 0.7756 0.7817 1.0490 1.0515 1.3163 1.3204 1.6955 1.7022 2.0333 2.0467 2.0606 2.0707 2.1218 2.1230 2.3450 2.3504 2.4388 2.4434 2.4681 2.4711 3.0572 3.0622 3.0702 3.0800 3.5779 3.5811 3.7613 3.7872 3.8585 3.8755 3.9290 4.0150 4.0310 4.0352 4.0809 4.1335 4.2768 4.2871 4.3239 4.3554 4.4423 4.4855 4.5247 4.5591 4.9238 4.9512 5.0087 5.0950 5.2427 5.2858 5.6992 5.7244 5.7853 5.7945 7.5005 7.5142 7.6613 7.6680 7.9989 8.0119 8.1414 8.1422 8.2092 8.2154 10.9776 10.9778 11.6391 11.6537 k = 0.1190 0.5000 0.1190 ( 5948 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1482 -7.1478 -6.7075 -6.7075 -6.3545 -6.3529 -6.3454 -6.3445 0.7676 0.7733 1.0509 1.0532 1.3239 1.3279 1.6931 1.6993 2.0394 2.0522 2.0617 2.0707 2.1188 2.1198 2.3370 2.3414 2.4468 2.4504 2.4761 2.4786 3.0787 3.0840 3.0874 3.0983 3.5722 3.5735 3.7569 3.7836 3.8583 3.8754 3.9221 4.0170 4.0359 4.0365 4.0795 4.1338 4.2624 4.2731 4.3124 4.3417 4.4536 4.4883 4.5381 4.5658 4.9422 4.9707 5.0178 5.0993 5.1985 5.2421 5.7008 5.7276 5.7852 5.7927 7.4824 7.4952 7.6598 7.6661 7.9917 8.0037 8.1374 8.1377 8.2001 8.2060 10.9795 10.9799 11.5716 11.5860 k = 0.1071 0.5000 0.1071 ( 5928 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1578 -7.1574 -6.7114 -6.7114 -6.3469 -6.3455 -6.3393 -6.3386 0.7598 0.7650 1.0522 1.0543 1.3302 1.3340 1.6906 1.6962 2.0462 2.0575 2.0639 2.0710 2.1163 2.1169 2.3297 2.3334 2.4544 2.4570 2.4835 2.4855 3.0998 3.1048 3.1050 3.1167 3.5657 3.5658 3.7537 3.7803 3.8582 3.8767 3.9159 4.0187 4.0381 4.0408 4.0767 4.1324 4.2454 4.2621 4.3010 4.3259 4.4670 4.4943 4.5519 4.5725 4.9594 4.9875 5.0255 5.0999 5.1572 5.2001 5.7054 5.7333 5.7858 5.7916 7.4657 7.4775 7.6586 7.6644 7.9834 7.9942 8.1360 8.1362 8.1920 8.1973 10.9790 10.9798 11.5084 11.5225 k = 0.0952 0.5000 0.0952 ( 5940 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1665 -7.1661 -6.7150 -6.7150 -6.3400 -6.3387 -6.3339 -6.3332 0.7524 0.7571 1.0530 1.0549 1.3354 1.3390 1.6881 1.6930 2.0532 2.0610 2.0685 2.0715 2.1140 2.1143 2.3228 2.3261 2.4612 2.4631 2.4900 2.4918 3.1199 3.1224 3.1249 3.1350 3.5576 3.5582 3.7516 3.7771 3.8583 3.8791 3.9102 4.0199 4.0399 4.0450 4.0727 4.1292 4.2281 4.2531 4.2896 4.3092 4.4818 4.5027 4.5656 4.5789 4.9749 5.0016 5.0317 5.0928 5.1235 5.1600 5.7126 5.7409 5.7869 5.7910 7.4505 7.4612 7.6576 7.6629 7.9745 7.9840 8.1366 8.1372 8.1846 8.1895 10.9762 10.9774 11.4507 11.4643 k = 0.0833 0.5000 0.0833 ( 5942 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1742 -7.1739 -6.7183 -6.7182 -6.3337 -6.3326 -6.3290 -6.3284 0.7455 0.7497 1.0536 1.0553 1.3396 1.3429 1.6856 1.6899 2.0604 2.0631 2.0722 2.0745 2.1120 2.1122 2.3167 2.3196 2.4674 2.4686 2.4958 2.4974 3.1384 3.1404 3.1437 3.1527 3.5493 3.5501 3.7507 3.7742 3.8589 3.8825 3.9051 4.0201 4.0421 4.0476 4.0693 4.1244 4.2113 4.2460 4.2776 4.2932 4.4977 4.5127 4.5788 4.5849 4.9887 5.0127 5.0366 5.0681 5.1082 5.1225 5.7217 5.7499 5.7883 5.7906 7.4368 7.4464 7.6568 7.6616 7.9655 7.9737 8.1388 8.1396 8.1782 8.1824 10.9713 10.9728 11.3994 11.4121 k = 0.0714 0.5000 0.0714 ( 5936 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8486 -31.8486 -7.1809 -7.1807 -6.7211 -6.7211 -6.3282 -6.3272 -6.3246 -6.3241 0.7393 0.7429 1.0539 1.0553 1.3430 1.3460 1.6833 1.6869 2.0649 2.0670 2.0731 2.0805 2.1102 2.1107 2.3112 2.3139 2.4728 2.4735 2.5008 2.5023 3.1553 3.1580 3.1612 3.1691 3.5408 3.5413 3.7508 3.7715 3.8601 3.8871 3.9006 4.0178 4.0447 4.0477 4.0690 4.1182 4.1959 4.2410 4.2633 4.2801 4.5143 4.5238 4.5902 4.5912 4.9998 5.0202 5.0377 5.0400 5.0892 5.1014 5.7320 5.7592 5.7901 5.7906 7.4249 7.4332 7.6562 7.6604 7.9568 7.9638 8.1420 8.1429 8.1728 8.1762 10.9646 10.9662 11.3553 11.3668 k = 0.0595 0.5000 0.0595 ( 5934 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8491 -31.8491 -31.8485 -31.8485 -7.1867 -7.1865 -6.7235 -6.7235 -6.3235 -6.3226 -6.3209 -6.3205 0.7339 0.7369 1.0540 1.0552 1.3457 1.3482 1.6812 1.6842 2.0665 2.0712 2.0758 2.0857 2.1090 2.1098 2.3065 2.3088 2.4774 2.4777 2.5050 2.5064 3.1710 3.1740 3.1771 3.1837 3.5324 3.5325 3.7518 3.7692 3.8621 3.8927 3.8965 4.0109 4.0476 4.0478 4.0716 4.1110 4.1824 4.2378 4.2469 4.2704 4.5312 4.5354 4.5944 4.6020 4.9979 5.0208 5.0210 5.0417 5.0645 5.0952 5.7427 5.7681 5.7909 5.7921 7.4148 7.4218 7.6558 7.6593 7.9489 7.9547 8.1457 8.1464 8.1682 8.1709 10.9567 10.9582 11.3187 11.3288 k = 0.0476 0.5000 0.0476 ( 5930 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.1914 -7.1912 -6.7256 -6.7256 -6.3196 -6.3189 -6.3178 -6.3175 0.7294 0.7318 1.0540 1.0550 1.3478 1.3499 1.6795 1.6819 2.0680 2.0725 2.0806 2.0897 2.1087 2.1095 2.3025 2.3045 2.4812 2.4812 2.5085 2.5097 3.1853 3.1881 3.1911 3.1960 3.5241 3.5244 3.7533 3.7670 3.8647 3.8927 3.8996 3.9998 4.0496 4.0514 4.0748 4.1032 4.1717 4.2298 4.2364 4.2628 4.5469 4.5479 4.5974 4.6107 4.9769 5.0074 5.0260 5.0426 5.0559 5.0887 5.7529 5.7754 5.7919 5.7942 7.4065 7.4121 7.6555 7.6584 7.9421 7.9468 8.1493 8.1496 8.1647 8.1665 10.9482 10.9495 11.2899 11.2983 k = 0.0357 0.5000 0.0357 ( 5922 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.1951 -7.1950 -6.7272 -6.7271 -6.3165 -6.3159 -6.3153 -6.3151 0.7258 0.7277 1.0540 1.0547 1.3494 1.3510 1.6781 1.6799 2.0694 2.0730 2.0848 2.0920 2.1092 2.1098 2.2994 2.3010 2.4840 2.4841 2.5113 2.5122 3.1975 3.1997 3.2026 3.2058 3.5166 3.5172 3.7550 3.7652 3.8679 3.8892 3.9080 3.9861 4.0534 4.0556 4.0770 4.0949 4.1648 4.2134 4.2364 4.2565 4.5579 4.5636 4.5992 4.6164 4.9581 4.9862 5.0330 5.0445 5.0559 5.0820 5.7618 5.7798 5.7942 5.7965 7.4001 7.4044 7.6554 7.6576 7.9368 7.9403 8.1522 8.1525 8.1622 8.1630 10.9401 10.9411 11.2685 11.2749 k = 0.0238 0.5000 0.0238 ( 5926 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.1977 -7.1976 -6.7283 -6.7283 -6.3143 -6.3139 -6.3135 -6.3134 0.7233 0.7246 1.0540 1.0545 1.3506 1.3516 1.6772 1.6784 2.0706 2.0730 2.0880 2.0928 2.1102 2.1104 2.2971 2.2983 2.4860 2.4862 2.5133 2.5140 3.2072 3.2086 3.2111 3.2126 3.5108 3.5114 3.7568 3.7634 3.8714 3.8857 3.9179 3.9714 4.0584 4.0603 4.0770 4.0867 4.1628 4.1980 4.2376 4.2511 4.5679 4.5767 4.6006 4.6184 4.9455 4.9666 5.0389 5.0463 5.0577 5.0755 5.7690 5.7810 5.7972 5.7986 7.3957 7.3986 7.6555 7.6570 7.9329 7.9353 8.1539 8.1548 8.1606 8.1609 10.9334 10.9341 11.2540 11.2584 k = 0.0119 0.5000 0.0119 ( 5926 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.1993 -7.1993 -6.7290 -6.7290 -6.3129 -6.3128 -6.3124 -6.3123 0.7219 0.7225 1.0540 1.0542 1.3514 1.3519 1.6767 1.6773 2.0716 2.0728 2.0902 2.0926 2.1111 2.1111 2.2959 2.2965 2.4872 2.4874 2.5146 2.5149 3.2137 3.2145 3.2160 3.2163 3.5072 3.5076 3.7585 3.7618 3.8750 3.8822 3.9295 3.9566 4.0644 4.0654 4.0746 4.0788 4.1659 4.1845 4.2397 4.2465 4.5762 4.5834 4.6042 4.6164 4.9402 4.9515 5.0433 5.0470 5.0605 5.0695 5.7744 5.7803 5.7997 5.8002 7.3934 7.3948 7.6557 7.6564 7.9308 7.9320 8.1548 8.1557 8.1597 8.1603 10.9290 10.9294 11.2460 11.2482 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.2393 -58.2393 -32.6732 -32.6732 -31.8490 -31.8490 -31.8485 -31.8485 -7.1998 -7.1998 -6.7292 -6.7292 -6.3125 -6.3125 -6.3119 -6.3119 0.7217 0.7217 1.0541 1.0541 1.3518 1.3518 1.6768 1.6768 2.0724 2.0724 2.0917 2.0917 2.1115 2.1115 2.2957 2.2957 2.4877 2.4877 2.5152 2.5152 3.2167 3.2167 3.2171 3.2171 3.5061 3.5061 3.7602 3.7602 3.8787 3.8787 3.9425 3.9425 4.0699 4.0699 4.0719 4.0719 4.1735 4.1735 4.2428 4.2428 4.5821 4.5821 4.6109 4.6109 4.9424 4.9424 5.0461 5.0461 5.0645 5.0645 5.7781 5.7781 5.8007 5.8007 7.3931 7.3931 7.6560 7.6560 7.9305 7.9305 8.1554 8.1554 8.1600 8.1600 10.9276 10.9276 11.2442 11.2442 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9079 -6.9079 -6.6227 -6.6227 -6.6157 -6.6157 -6.4151 -6.4151 1.0585 1.0585 1.0670 1.0670 1.0970 1.0970 1.9383 1.9383 2.0343 2.0343 2.0795 2.0795 2.0899 2.0899 2.1131 2.1131 2.4335 2.4335 2.5136 2.5136 2.7304 2.7304 2.7427 2.7427 3.6530 3.6530 3.8432 3.8432 3.8638 3.8638 3.9800 3.9800 4.0453 4.0453 4.1733 4.1733 4.1994 4.1994 4.5655 4.5655 4.5755 4.5755 4.6465 4.6465 4.7129 4.7129 4.7457 4.7457 5.4347 5.4347 5.4536 5.4536 6.1881 6.1881 7.6119 7.6119 7.7992 7.7992 7.9476 7.9476 8.3425 8.3425 8.3501 8.3501 11.5220 11.5220 11.5257 11.5257 k = 0.5000 0.5000 0.0167 ( 5920 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9076 -6.9076 -6.6227 -6.6227 -6.6156 -6.6156 -6.4153 -6.4153 1.0577 1.0577 1.0662 1.0662 1.0961 1.0961 1.9344 1.9344 2.0370 2.0370 2.0799 2.0799 2.0904 2.0904 2.1135 2.1135 2.4332 2.4332 2.5149 2.5149 2.7305 2.7305 2.7429 2.7429 3.6534 3.6534 3.8434 3.8434 3.8635 3.8635 3.9802 3.9802 4.0454 4.0454 4.1722 4.1722 4.1988 4.1988 4.5644 4.5644 4.5754 4.5754 4.6465 4.6465 4.7120 4.7120 4.7463 4.7463 5.4366 5.4366 5.4567 5.4567 6.1886 6.1886 7.6108 7.6108 7.8023 7.8023 7.9475 7.9475 8.3431 8.3431 8.3507 8.3507 11.5193 11.5193 11.5229 11.5229 k = 0.5000 0.5000 0.0333 ( 5940 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9064 -6.9064 -6.6225 -6.6225 -6.6155 -6.6155 -6.4161 -6.4161 1.0552 1.0552 1.0637 1.0637 1.0935 1.0935 1.9238 1.9238 2.0441 2.0441 2.0809 2.0809 2.0920 2.0920 2.1146 2.1146 2.4324 2.4324 2.5188 2.5188 2.7308 2.7308 2.7433 2.7433 3.6547 3.6547 3.8440 3.8440 3.8624 3.8624 3.9807 3.9807 4.0456 4.0456 4.1690 4.1690 4.1970 4.1970 4.5615 4.5615 4.5747 4.5747 4.6465 4.6465 4.7094 4.7094 4.7478 4.7478 5.4424 5.4424 5.4657 5.4657 6.1899 6.1899 7.6077 7.6077 7.8113 7.8113 7.9472 7.9472 8.3447 8.3447 8.3523 8.3523 11.5112 11.5112 11.5148 11.5148 k = 0.5000 0.5000 0.0500 ( 5940 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9046 -6.9046 -6.6223 -6.6223 -6.6153 -6.6153 -6.4175 -6.4175 1.0511 1.0511 1.0597 1.0597 1.0892 1.0892 1.9087 1.9087 2.0533 2.0533 2.0828 2.0828 2.0947 2.0947 2.1166 2.1166 2.4312 2.4312 2.5250 2.5250 2.7314 2.7314 2.7441 2.7441 3.6568 3.6568 3.8451 3.8451 3.8608 3.8608 3.9815 3.9815 4.0460 4.0460 4.1640 4.1640 4.1941 4.1941 4.5572 4.5572 4.5732 4.5732 4.6463 4.6463 4.7056 4.7056 4.7501 4.7501 5.4526 5.4526 5.4800 5.4800 6.1921 6.1921 7.6035 7.6035 7.8254 7.8254 7.9468 7.9468 8.3475 8.3475 8.3551 8.3551 11.4978 11.4978 11.5013 11.5013 k = 0.5000 0.5000 0.0667 ( 5948 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.9020 -6.9020 -6.6220 -6.6220 -6.6150 -6.6150 -6.4194 -6.4194 1.0456 1.0456 1.0541 1.0541 1.0833 1.0833 1.8908 1.8908 2.0631 2.0631 2.0855 2.0855 2.0983 2.0983 2.1194 2.1194 2.4294 2.4294 2.5335 2.5335 2.7322 2.7322 2.7452 2.7452 3.6596 3.6596 3.8466 3.8466 3.8585 3.8585 3.9825 3.9825 4.0466 4.0466 4.1573 4.1573 4.1903 4.1903 4.5519 4.5519 4.5707 4.5707 4.6454 4.6454 4.7008 4.7008 4.7525 4.7525 5.4674 5.4674 5.4991 5.4991 6.1952 6.1952 7.5990 7.5990 7.8437 7.8437 7.9463 7.9463 8.3514 8.3514 8.3588 8.3588 11.4792 11.4792 11.4824 11.4824 k = 0.5000 0.5000 0.0833 ( 5956 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.8986 -6.8986 -6.6216 -6.6216 -6.6146 -6.6146 -6.4218 -6.4218 1.0385 1.0385 1.0470 1.0470 1.0758 1.0758 1.8712 1.8712 2.0724 2.0724 2.0893 2.0893 2.1028 2.1028 2.1230 2.1230 2.4272 2.4272 2.5440 2.5440 2.7333 2.7333 2.7465 2.7465 3.6633 3.6633 3.8486 3.8486 3.8557 3.8557 3.9837 3.9837 4.0472 4.0472 4.1492 4.1492 4.1859 4.1859 4.5459 4.5459 4.5674 4.5674 4.6437 4.6437 4.6953 4.6953 4.7548 4.7548 5.4869 5.4869 5.5224 5.5224 6.1991 6.1991 7.5949 7.5949 7.8653 7.8653 7.9458 7.9458 8.3563 8.3563 8.3636 8.3636 11.4553 11.4553 11.4583 11.4583 k = 0.5000 0.5000 0.1000 ( 5960 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8488 -31.8488 -6.8946 -6.8946 -6.6211 -6.6211 -6.6142 -6.6142 -6.4248 -6.4248 1.0302 1.0302 1.0387 1.0387 1.0668 1.0668 1.8504 1.8504 2.0803 2.0803 2.0948 2.0948 2.1082 2.1082 2.1273 2.1273 2.4244 2.4244 2.5560 2.5560 2.7345 2.7345 2.7482 2.7482 3.6677 3.6677 3.8509 3.8509 3.8525 3.8525 3.9851 3.9851 4.0477 4.0477 4.1400 4.1400 4.1812 4.1812 4.5392 4.5392 4.5632 4.5632 4.6408 4.6408 4.6892 4.6892 4.7567 4.7567 5.5109 5.5109 5.5497 5.5497 6.2038 6.2038 7.5919 7.5919 7.8891 7.8891 7.9457 7.9457 8.3620 8.3620 8.3692 8.3692 11.4265 11.4265 11.4291 11.4291 k = 0.5000 0.5000 0.1167 ( 5948 PWs) bands (ev): -58.2392 -58.2392 -32.6734 -32.6734 -31.8493 -31.8493 -31.8489 -31.8489 -6.8898 -6.8898 -6.6205 -6.6205 -6.6137 -6.6137 -6.4283 -6.4283 1.0206 1.0206 1.0291 1.0291 1.0565 1.0565 1.8289 1.8289 2.0866 2.0866 2.1021 2.1021 2.1142 2.1142 2.1325 2.1325 2.4212 2.4212 2.5693 2.5693 2.7360 2.7360 2.7501 2.7501 3.6728 3.6728 3.8488 3.8488 3.8536 3.8536 3.9865 3.9865 4.0482 4.0482 4.1301 4.1301 4.1767 4.1767 4.5320 4.5320 4.5583 4.5583 4.6366 4.6366 4.6827 4.6827 4.7580 4.7580 5.5391 5.5391 5.5806 5.5806 6.2092 6.2092 7.5903 7.5903 7.9129 7.9129 7.9478 7.9478 8.3686 8.3686 8.3757 8.3757 11.3928 11.3928 11.3951 11.3951 k = 0.5000 0.5000 0.1333 ( 5956 PWs) bands (ev): -58.2393 -58.2393 -32.6734 -32.6734 -31.8493 -31.8493 -31.8489 -31.8489 -6.8844 -6.8844 -6.6198 -6.6198 -6.6131 -6.6131 -6.4324 -6.4324 1.0101 1.0101 1.0184 1.0184 1.0450 1.0450 1.8070 1.8070 2.0917 2.0917 2.1103 2.1103 2.1208 2.1208 2.1383 2.1383 2.4175 2.4175 2.5836 2.5836 2.7376 2.7376 2.7523 2.7523 3.6786 3.6786 3.8448 3.8448 3.8566 3.8566 3.9879 3.9879 4.0485 4.0485 4.1195 4.1195 4.1727 4.1727 4.5243 4.5243 4.5528 4.5528 4.6309 4.6309 4.6758 4.6758 4.7586 4.7586 5.5713 5.5713 5.6146 5.6146 6.2153 6.2153 7.5906 7.5906 7.9287 7.9287 7.9596 7.9596 8.3760 8.3760 8.3828 8.3828 11.3547 11.3547 11.3567 11.3567 k = 0.5000 0.5000 0.1500 ( 5940 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8493 -31.8493 -31.8489 -31.8489 -6.8783 -6.8783 -6.6191 -6.6191 -6.6125 -6.6125 -6.4369 -6.4369 0.9986 0.9986 1.0069 1.0069 1.0324 1.0324 1.7850 1.7850 2.0966 2.0966 2.1190 2.1190 2.1279 2.1279 2.1449 2.1449 2.4135 2.4135 2.5984 2.5984 2.7394 2.7394 2.7547 2.7547 3.6848 3.6848 3.8407 3.8407 3.8600 3.8600 3.9891 3.9891 4.0484 4.0484 4.1087 4.1087 4.1698 4.1698 4.5162 4.5162 4.5469 4.5469 4.6238 4.6238 4.6686 4.6686 4.7582 4.7582 5.6069 5.6069 5.6515 5.6515 6.2220 6.2220 7.5928 7.5928 7.9324 7.9324 7.9852 7.9852 8.3839 8.3839 8.3906 8.3906 11.3126 11.3126 11.3142 11.3142 k = 0.5000 0.5000 0.1667 ( 5948 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8493 -31.8493 -31.8489 -31.8489 -6.8716 -6.8716 -6.6183 -6.6183 -6.6118 -6.6118 -6.4420 -6.4420 0.9863 0.9863 0.9946 0.9946 1.0189 1.0189 1.7630 1.7630 2.1015 2.1015 2.1277 2.1277 2.1354 2.1354 2.1522 2.1522 2.4090 2.4090 2.6136 2.6136 2.7414 2.7414 2.7572 2.7572 3.6913 3.6913 3.8364 3.8364 3.8636 3.8636 3.9902 3.9902 4.0478 4.0478 4.0977 4.0977 4.1681 4.1681 4.5075 4.5075 4.5406 4.5406 4.6152 4.6152 4.6611 4.6611 4.7567 4.7567 5.6456 5.6456 5.6908 5.6908 6.2292 6.2292 7.5972 7.5972 7.9320 7.9320 8.0158 8.0158 8.3923 8.3923 8.3988 8.3988 11.2669 11.2669 11.2683 11.2683 k = 0.5000 0.5000 0.1833 ( 5940 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8493 -31.8493 -31.8489 -31.8489 -6.8642 -6.8642 -6.6175 -6.6175 -6.6111 -6.6111 -6.4476 -6.4476 0.9735 0.9735 0.9816 0.9816 1.0046 1.0046 1.7413 1.7413 2.1066 2.1066 2.1364 2.1364 2.1430 2.1430 2.1600 2.1600 2.4041 2.4041 2.6288 2.6288 2.7434 2.7434 2.7599 2.7599 3.6980 3.6980 3.8323 3.8323 3.8674 3.8674 3.9911 3.9911 4.0466 4.0466 4.0871 4.0871 4.1681 4.1681 4.4985 4.4985 4.5342 4.5342 4.6053 4.6053 4.6533 4.6533 4.7540 4.7540 5.6869 5.6869 5.7322 5.7322 6.2368 6.2368 7.6039 7.6039 7.9305 7.9305 8.0485 8.0485 8.4011 8.4011 8.4073 8.4073 11.2183 11.2183 11.2196 11.2196 k = 0.5000 0.5000 0.2000 ( 5956 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8493 -31.8493 -31.8490 -31.8490 -6.8563 -6.8563 -6.6166 -6.6166 -6.6104 -6.6104 -6.4537 -6.4537 0.9602 0.9602 0.9683 0.9683 0.9897 0.9897 1.7198 1.7198 2.1118 2.1118 2.1451 2.1451 2.1507 2.1507 2.1683 2.1683 2.3989 2.3989 2.6437 2.6437 2.7456 2.7456 2.7628 2.7628 3.7046 3.7046 3.8285 3.8285 3.8713 3.8713 3.9917 3.9917 4.0447 4.0447 4.0769 4.0769 4.1696 4.1696 4.4890 4.4890 4.5276 4.5276 4.5944 4.5944 4.6452 4.6452 4.7500 4.7500 5.7303 5.7303 5.7753 5.7753 6.2449 6.2449 7.6127 7.6127 7.9286 7.9286 8.0822 8.0822 8.4100 8.4100 8.4161 8.4161 11.1672 11.1672 11.1686 11.1686 k = 0.5000 0.5000 0.2167 ( 5952 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8493 -31.8493 -31.8490 -31.8490 -6.8478 -6.8478 -6.6157 -6.6157 -6.6096 -6.6096 -6.4603 -6.4603 0.9466 0.9466 0.9546 0.9546 0.9745 0.9745 1.6988 1.6988 2.1173 2.1173 2.1537 2.1537 2.1585 2.1585 2.1770 2.1770 2.3933 2.3933 2.6583 2.6583 2.7479 2.7479 2.7658 2.7658 3.7110 3.7110 3.8253 3.8253 3.8753 3.8753 3.9919 3.9919 4.0422 4.0422 4.0677 4.0677 4.1728 4.1728 4.4793 4.4793 4.5210 4.5210 4.5826 4.5826 4.6369 4.6369 4.7446 4.7446 5.7753 5.7753 5.8197 5.8197 6.2532 6.2532 7.6238 7.6238 7.9264 7.9264 8.1166 8.1166 8.4190 8.4190 8.4249 8.4249 11.1143 11.1143 11.1160 11.1160 k = 0.5000 0.5000 0.2333 ( 5952 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8493 -31.8493 -31.8490 -31.8490 -6.8388 -6.8388 -6.6148 -6.6148 -6.6088 -6.6088 -6.4673 -6.4673 0.9330 0.9330 0.9409 0.9409 0.9591 0.9591 1.6785 1.6785 2.1230 2.1230 2.1623 2.1623 2.1663 2.1663 2.1860 2.1860 2.3874 2.3874 2.6722 2.6722 2.7502 2.7502 2.7689 2.7689 3.7167 3.7167 3.8231 3.8231 3.8794 3.8794 3.9916 3.9916 4.0387 4.0387 4.0600 4.0600 4.1777 4.1777 4.4692 4.4692 4.5145 4.5145 4.5701 4.5701 4.6283 4.6283 4.7377 4.7377 5.8216 5.8216 5.8650 5.8650 6.2618 6.2618 7.6370 7.6370 7.9240 7.9240 8.1512 8.1512 8.4279 8.4279 8.4336 8.4336 11.0604 11.0604 11.0625 11.0625 k = 0.5000 0.5000 0.2500 ( 5952 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8493 -31.8493 -31.8491 -31.8491 -6.8293 -6.8293 -6.6139 -6.6139 -6.6080 -6.6080 -6.4749 -6.4749 0.9193 0.9193 0.9271 0.9271 0.9437 0.9437 1.6587 1.6587 2.1290 2.1290 2.1709 2.1709 2.1739 2.1739 2.1950 2.1950 2.3811 2.3811 2.6855 2.6855 2.7525 2.7525 2.7720 2.7720 3.7214 3.7214 3.8221 3.8221 3.8835 3.8835 3.9907 3.9907 4.0345 4.0345 4.0541 4.0541 4.1841 4.1841 4.4591 4.4591 4.5081 4.5081 4.5571 4.5571 4.6195 4.6195 4.7293 4.7293 5.8685 5.8685 5.9108 5.9108 6.2704 6.2704 7.6523 7.6523 7.9215 7.9215 8.1858 8.1858 8.4366 8.4366 8.4421 8.4421 11.0062 11.0062 11.0086 11.0086 k = 0.5000 0.5000 0.2667 ( 5940 PWs) bands (ev): -58.2392 -58.2392 -32.6735 -32.6735 -31.8493 -31.8493 -31.8491 -31.8491 -6.8194 -6.8194 -6.6129 -6.6129 -6.6072 -6.6072 -6.4828 -6.4828 0.9058 0.9058 0.9136 0.9136 0.9284 0.9284 1.6398 1.6398 2.1353 2.1353 2.1794 2.1794 2.1815 2.1815 2.2041 2.2041 2.3747 2.3747 2.6978 2.6978 2.7549 2.7549 2.7752 2.7752 3.7249 3.7249 3.8227 3.8227 3.8875 3.8875 3.9887 3.9887 4.0301 4.0301 4.0499 4.0499 4.1919 4.1919 4.4489 4.4489 4.5021 4.5021 4.5439 4.5439 4.6106 4.6106 4.7194 4.7194 5.9157 5.9157 5.9566 5.9566 6.2791 6.2791 7.6693 7.6693 7.9190 7.9190 8.2201 8.2201 8.4449 8.4449 8.4502 8.4502 10.9522 10.9522 10.9551 10.9551 k = 0.5000 0.5000 0.2833 ( 5932 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8491 -31.8491 -6.8091 -6.8091 -6.6120 -6.6120 -6.6064 -6.6064 -6.4912 -6.4912 0.8927 0.8927 0.9003 0.9003 0.9134 0.9134 1.6218 1.6218 2.1417 2.1417 2.1877 2.1877 2.1889 2.1889 2.2130 2.2130 2.3679 2.3679 2.7093 2.7093 2.7572 2.7572 2.7784 2.7784 3.7269 3.7269 3.8250 3.8250 3.8915 3.8915 3.9857 3.9857 4.0263 4.0263 4.0469 4.0469 4.2010 4.2010 4.4387 4.4387 4.4963 4.4963 4.5306 4.5306 4.6017 4.6017 4.7081 4.7081 5.9625 5.9625 6.0020 6.0020 6.2878 6.2878 7.6880 7.6880 7.9164 7.9164 8.2536 8.2536 8.4528 8.4528 8.4579 8.4579 10.8991 10.8991 10.9024 10.9024 k = 0.5000 0.5000 0.3000 ( 5952 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8491 -31.8491 -6.7984 -6.7984 -6.6111 -6.6111 -6.6057 -6.6057 -6.5000 -6.5000 0.8799 0.8799 0.8875 0.8875 0.8990 0.8990 1.6046 1.6046 2.1483 2.1483 2.1953 2.1953 2.1966 2.1966 2.2217 2.2217 2.3609 2.3609 2.7198 2.7198 2.7595 2.7595 2.7815 2.7815 3.7274 3.7274 3.8289 3.8289 3.8951 3.8951 3.9814 3.9814 4.0236 4.0236 4.0446 4.0446 4.2113 4.2113 4.4287 4.4287 4.4908 4.4908 4.5173 4.5173 4.5926 4.5926 4.6953 4.6953 6.0087 6.0087 6.0466 6.0466 6.2962 6.2962 7.7080 7.7080 7.9139 7.9139 8.2860 8.2860 8.4600 8.4600 8.4650 8.4650 10.8475 10.8475 10.8512 10.8512 k = 0.5000 0.5000 0.3167 ( 5944 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8492 -31.8492 -6.7874 -6.7874 -6.6102 -6.6102 -6.6049 -6.6049 -6.5091 -6.5091 0.8676 0.8676 0.8753 0.8753 0.8852 0.8852 1.5886 1.5886 2.1551 2.1551 2.2021 2.2021 2.2046 2.2046 2.2301 2.2301 2.3538 2.3538 2.7293 2.7293 2.7617 2.7617 2.7846 2.7846 3.7268 3.7268 3.8342 3.8342 3.8986 3.8986 3.9763 3.9763 4.0220 4.0220 4.0429 4.0429 4.2228 4.2228 4.4191 4.4191 4.4857 4.4857 4.5043 4.5043 4.5837 4.5837 4.6813 4.6813 6.0537 6.0537 6.0899 6.0899 6.3045 6.3045 7.7289 7.7289 7.9114 7.9114 8.3171 8.3171 8.4666 8.4666 8.4714 8.4714 10.7980 10.7980 10.8021 10.8021 k = 0.5000 0.5000 0.3333 ( 5944 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8492 -31.8492 -6.7761 -6.7761 -6.6094 -6.6094 -6.6042 -6.6042 -6.5186 -6.5186 0.8560 0.8560 0.8637 0.8637 0.8721 0.8721 1.5736 1.5736 2.1621 2.1621 2.2083 2.2083 2.2124 2.2124 2.2380 2.2380 2.3467 2.3467 2.7377 2.7377 2.7638 2.7638 2.7877 2.7877 3.7252 3.7252 3.8406 3.8406 3.9017 3.9017 3.9707 3.9707 4.0214 4.0214 4.0414 4.0414 4.2353 4.2353 4.4100 4.4100 4.4811 4.4811 4.4918 4.4918 4.5750 4.5750 4.6660 4.6660 6.0969 6.0969 6.1315 6.1315 6.3126 6.3126 7.7504 7.7504 7.9090 7.9090 8.3464 8.3464 8.4725 8.4725 8.4771 8.4771 10.7511 10.7511 10.7554 10.7554 k = 0.5000 0.5000 0.3500 ( 5948 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8492 -31.8492 -6.7647 -6.7647 -6.6086 -6.6086 -6.6036 -6.6036 -6.5284 -6.5284 0.8452 0.8452 0.8530 0.8530 0.8600 0.8600 1.5598 1.5598 2.1692 2.1692 2.2139 2.2139 2.2200 2.2200 2.2454 2.2454 2.3394 2.3394 2.7452 2.7452 2.7658 2.7658 2.7906 2.7906 3.7231 3.7231 3.8477 3.8477 3.9046 3.9046 3.9647 3.9647 4.0214 4.0214 4.0401 4.0401 4.2487 4.2487 4.4014 4.4014 4.4769 4.4769 4.4800 4.4800 4.5665 4.5665 4.6497 4.6497 6.1380 6.1380 6.1707 6.1707 6.3203 6.3203 7.7722 7.7722 7.9066 7.9066 8.3737 8.3737 8.4776 8.4776 8.4821 8.4821 10.7071 10.7071 10.7118 10.7118 k = 0.5000 0.5000 0.3667 ( 5948 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8492 -31.8492 -6.7532 -6.7532 -6.6079 -6.6079 -6.6030 -6.6030 -6.5384 -6.5384 0.8352 0.8352 0.8431 0.8431 0.8489 0.8489 1.5473 1.5473 2.1764 2.1764 2.2189 2.2189 2.2272 2.2272 2.2522 2.2522 2.3322 2.3322 2.7517 2.7517 2.7677 2.7677 2.7934 2.7934 3.7207 3.7207 3.8553 3.8553 3.9072 3.9072 3.9588 3.9588 4.0220 4.0220 4.0389 4.0389 4.2629 4.2629 4.3935 4.3935 4.4688 4.4688 4.4732 4.4732 4.5583 4.5583 4.6326 4.6326 6.1764 6.1764 6.2071 6.2071 6.3278 6.3278 7.7936 7.7936 7.9045 7.9045 8.3987 8.3987 8.4819 8.4819 8.4863 8.4863 10.6667 10.6667 10.6715 10.6715 k = 0.5000 0.5000 0.3833 ( 5940 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7416 -6.7416 -6.6072 -6.6072 -6.6024 -6.6024 -6.5485 -6.5485 0.8261 0.8261 0.8342 0.8342 0.8389 0.8389 1.5361 1.5361 2.1836 2.1836 2.2233 2.2233 2.2339 2.2339 2.2583 2.2583 2.3250 2.3250 2.7572 2.7572 2.7694 2.7694 2.7961 2.7961 3.7182 3.7182 3.8630 3.8630 3.9094 3.9094 3.9529 3.9529 4.0229 4.0229 4.0379 4.0379 4.2778 4.2778 4.3864 4.3864 4.4588 4.4588 4.4699 4.4699 4.5506 4.5506 4.6150 4.6150 6.2116 6.2116 6.2402 6.2402 6.3350 6.3350 7.8143 7.8143 7.9025 7.9025 8.4212 8.4212 8.4855 8.4855 8.4897 8.4897 10.6301 10.6301 10.6350 10.6350 k = 0.5000 0.5000 0.4000 ( 5932 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7302 -6.7302 -6.6066 -6.6066 -6.6019 -6.6019 -6.5587 -6.5587 0.8180 0.8180 0.8264 0.8264 0.8301 0.8301 1.5263 1.5263 2.1908 2.1908 2.2269 2.2269 2.2402 2.2402 2.2635 2.2635 2.3181 2.3181 2.7619 2.7619 2.7709 2.7709 2.7985 2.7985 3.7159 3.7159 3.8708 3.8708 3.9113 3.9113 3.9471 3.9471 4.0240 4.0240 4.0369 4.0369 4.2930 4.2930 4.3802 4.3802 4.4501 4.4501 4.4670 4.4670 4.5435 4.5435 4.5971 4.5971 6.2433 6.2433 6.2691 6.2691 6.3421 6.3421 7.8336 7.8336 7.9007 7.9007 8.4409 8.4409 8.4884 8.4884 8.4925 8.4925 10.5977 10.5977 10.6026 10.6026 k = 0.5000 0.5000 0.4167 ( 5940 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7190 -6.7190 -6.6061 -6.6061 -6.6015 -6.6015 -6.5688 -6.5688 0.8110 0.8110 0.8196 0.8196 0.8225 0.8225 1.5179 1.5179 2.1979 2.1979 2.2296 2.2296 2.2459 2.2459 2.2677 2.2677 2.3116 2.3116 2.7657 2.7657 2.7722 2.7722 2.8006 2.8006 3.7137 3.7137 3.8784 3.8784 3.9129 3.9129 3.9414 3.9414 4.0251 4.0251 4.0360 4.0360 4.3081 4.3081 4.3749 4.3749 4.4429 4.4429 4.4642 4.4642 4.5371 4.5371 4.5794 4.5794 6.2709 6.2709 6.2932 6.2932 6.3494 6.3494 7.8512 7.8512 7.8991 7.8991 8.4576 8.4576 8.4907 8.4907 8.4946 8.4946 10.5697 10.5697 10.5745 10.5745 k = 0.5000 0.5000 0.4333 ( 5940 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.7084 -6.7084 -6.6058 -6.6058 -6.6011 -6.6011 -6.5784 -6.5784 0.8051 0.8051 0.8141 0.8141 0.8163 0.8163 1.5109 1.5109 2.2048 2.2048 2.2314 2.2314 2.2511 2.2511 2.2708 2.2708 2.3058 2.3058 2.7688 2.7688 2.7733 2.7733 2.8023 2.8023 3.7118 3.7118 3.8858 3.8858 3.9141 3.9141 3.9358 3.9358 4.0263 4.0263 4.0350 4.0350 4.3227 4.3227 4.3705 4.3705 4.4377 4.4377 4.4615 4.4615 4.5316 4.5316 4.5625 4.5625 6.2941 6.2941 6.3116 6.3116 6.3574 6.3574 7.8664 7.8664 7.8978 7.8978 8.4714 8.4714 8.4923 8.4923 8.4963 8.4963 10.5466 10.5466 10.5507 10.5507 k = 0.5000 0.5000 0.4500 ( 5932 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.6987 -6.6987 -6.6056 -6.6056 -6.6009 -6.6009 -6.5873 -6.5873 0.8005 0.8005 0.8098 0.8098 0.8113 0.8113 1.5055 1.5055 2.2113 2.2113 2.2321 2.2321 2.2558 2.2558 2.2724 2.2724 2.3011 2.3011 2.7711 2.7711 2.7741 2.7741 2.8037 2.8037 3.7103 3.7103 3.8930 3.8930 3.9151 3.9151 3.9302 3.9302 4.0275 4.0275 4.0340 4.0340 4.3359 4.3359 4.3670 4.3670 4.4348 4.4348 4.4584 4.4584 4.5271 4.5271 4.5472 4.5472 6.3126 6.3126 6.3242 6.3242 6.3658 6.3658 7.8787 7.8787 7.8968 7.8968 8.4820 8.4820 8.4935 8.4935 8.4975 8.4975 10.5283 10.5283 10.5314 10.5314 k = 0.5000 0.5000 0.4667 ( 5920 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.6905 -6.6905 -6.6057 -6.6057 -6.6007 -6.6007 -6.5945 -6.5945 0.7972 0.7972 0.8067 0.8067 0.8077 0.8077 1.5016 1.5016 2.2173 2.2173 2.2316 2.2316 2.2602 2.2602 2.2722 2.2722 2.2978 2.2978 2.7729 2.7729 2.7746 2.7746 2.8048 2.8048 3.7093 3.7093 3.8999 3.8999 3.9158 3.9158 3.9245 3.9245 4.0287 4.0287 4.0330 4.0330 4.3468 4.3468 4.3642 4.3642 4.4346 4.4346 4.4547 4.4547 4.5238 4.5238 4.5347 4.5347 6.3260 6.3260 6.3317 6.3317 6.3735 6.3735 7.8879 7.8879 7.8961 7.8961 8.4893 8.4893 8.4943 8.4943 8.4985 8.4985 10.5152 10.5152 10.5169 10.5169 k = 0.5000 0.5000 0.4833 ( 5904 PWs) bands (ev): -58.2392 -58.2392 -32.6736 -32.6736 -31.8493 -31.8493 -31.8493 -31.8493 -6.6849 -6.6849 -6.6063 -6.6063 -6.6005 -6.6005 -6.5991 -6.5991 0.7951 0.7951 0.8050 0.8050 0.8055 0.8055 1.4993 1.4993 2.2225 2.2225 2.2298 2.2298 2.2641 2.2641 2.2705 2.2705 2.2961 2.2961 2.7740 2.7740 2.7748 2.7748 2.8054 2.8054 3.7086 3.7086 3.9064 3.9064 3.9163 3.9163 3.9188 3.9188 4.0299 4.0299 4.0320 4.0320 4.3546 4.3546 4.3619 4.3619 4.4369 4.4369 4.4503 4.4503 4.5220 4.5220 4.5263 4.5263 6.3341 6.3341 6.3357 6.3357 6.3788 6.3788 7.8936 7.8936 7.8956 7.8956 8.4934 8.4934 8.4948 8.4948 8.4994 8.4994 10.5073 10.5073 10.5079 10.5079 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2392 -58.2392 -32.6737 -32.6737 -31.8493 -31.8493 -31.8493 -31.8493 -6.6828 -6.6828 -6.6069 -6.6069 -6.6005 -6.6005 -6.6005 -6.6005 0.7945 0.7945 0.8046 0.8046 0.8046 0.8046 1.4985 1.4985 2.2267 2.2267 2.2267 2.2267 2.2676 2.2676 2.2676 2.2676 2.2955 2.2955 2.7747 2.7747 2.7747 2.7747 2.8056 2.8056 3.7084 3.7084 3.9127 3.9127 3.9127 3.9127 3.9165 3.9165 4.0310 4.0310 4.0310 4.0310 4.3592 4.3592 4.3592 4.3592 4.4392 4.4392 4.4473 4.4473 4.5223 4.5223 4.5223 4.5223 6.3369 6.3369 6.3369 6.3369 6.3806 6.3806 7.8955 7.8955 7.8955 7.8955 8.4948 8.4948 8.4948 8.4948 8.4999 8.4999 10.5047 10.5047 10.5047 10.5047 Writing output data file VCu3S4.save init_run : 6.19s CPU 11.90s WALL ( 1 calls) electrons : 1761.93s CPU 1790.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.48s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 1761.89s CPU 1790.25s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.95s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.17s CPU 0.61s WALL ( 1 calls) newd : 1.48s CPU 1.65s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.11s WALL ( 231 calls) cegterg : 1694.12s CPU 1719.00s WALL ( 850 calls) Called by sum_band: Called by *egterg: h_psi : 543.38s CPU 559.26s WALL ( 16759 calls) s_psi : 103.82s CPU 104.50s WALL ( 16759 calls) g_psi : 1.29s CPU 1.25s WALL ( 15678 calls) cdiaghg : 797.79s CPU 798.35s WALL ( 15909 calls) cegterg:over : 135.83s CPU 132.52s WALL ( 15678 calls) cegterg:upda : 38.81s CPU 43.41s WALL ( 15678 calls) cegterg:last : 26.75s CPU 27.35s WALL ( 1774 calls) Called by h_psi: h_psi:vloc : 351.50s CPU 364.12s WALL ( 16759 calls) h_psi:vnl : 191.29s CPU 193.80s WALL ( 16759 calls) add_vuspsi : 77.07s CPU 82.84s WALL ( 16759 calls) General routines calbec : 114.15s CPU 110.79s WALL ( 16759 calls) fft : 0.40s CPU 1.44s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 305.17s CPU 316.01s WALL ( 1737836 calls) interpolate : 0.11s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 1.80s WALL ( 462 calls) Parallel routines fft_scatter : 208.35s CPU 209.46s WALL ( 1737859 calls) PWSCF : 30m40.63s CPU 33m11.49s WALL This run was terminated on: 22:41:30 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=