Program PWSCF v.5.1.1 starts on 1Nov2015 at 17:39:22 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) = 10.1875 a.u. unit-cell volume = 1057.3153 (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)= 10.187513 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 50.8 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.1 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.3 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 81.7 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.9 secs Computing kpt #: 6 total cpu time spent up to now is 100.4 secs Computing kpt #: 7 total cpu time spent up to now is 108.5 secs Computing kpt #: 8 total cpu time spent up to now is 115.9 secs Computing kpt #: 9 total cpu time spent up to now is 122.4 secs Computing kpt #: 10 total cpu time spent up to now is 128.8 secs Computing kpt #: 11 total cpu time spent up to now is 134.4 secs Computing kpt #: 12 total cpu time spent up to now is 139.6 secs Computing kpt #: 13 total cpu time spent up to now is 145.7 secs Computing kpt #: 14 total cpu time spent up to now is 150.9 secs Computing kpt #: 15 total cpu time spent up to now is 156.0 secs Computing kpt #: 16 total cpu time spent up to now is 161.2 secs Computing kpt #: 17 total cpu time spent up to now is 166.3 secs Computing kpt #: 18 total cpu time spent up to now is 171.4 secs Computing kpt #: 19 total cpu time spent up to now is 176.5 secs Computing kpt #: 20 total cpu time spent up to now is 181.7 secs Computing kpt #: 21 total cpu time spent up to now is 186.8 secs Computing kpt #: 22 total cpu time spent up to now is 191.9 secs Computing kpt #: 23 total cpu time spent up to now is 196.9 secs Computing kpt #: 24 total cpu time spent up to now is 202.0 secs Computing kpt #: 25 total cpu time spent up to now is 207.1 secs Computing kpt #: 26 total cpu time spent up to now is 212.3 secs Computing kpt #: 27 total cpu time spent up to now is 217.4 secs Computing kpt #: 28 total cpu time spent up to now is 222.5 secs Computing kpt #: 29 total cpu time spent up to now is 227.7 secs Computing kpt #: 30 total cpu time spent up to now is 232.7 secs Computing kpt #: 31 total cpu time spent up to now is 237.7 secs Computing kpt #: 32 total cpu time spent up to now is 242.7 secs Computing kpt #: 33 total cpu time spent up to now is 247.7 secs Computing kpt #: 34 total cpu time spent up to now is 252.9 secs Computing kpt #: 35 total cpu time spent up to now is 258.1 secs Computing kpt #: 36 total cpu time spent up to now is 263.4 secs Computing kpt #: 37 total cpu time spent up to now is 268.7 secs Computing kpt #: 38 total cpu time spent up to now is 274.1 secs Computing kpt #: 39 total cpu time spent up to now is 279.4 secs Computing kpt #: 40 total cpu time spent up to now is 284.9 secs Computing kpt #: 41 total cpu time spent up to now is 290.4 secs Computing kpt #: 42 total cpu time spent up to now is 298.6 secs Computing kpt #: 43 total cpu time spent up to now is 304.4 secs Computing kpt #: 44 total cpu time spent up to now is 310.6 secs Computing kpt #: 45 total cpu time spent up to now is 316.9 secs Computing kpt #: 46 total cpu time spent up to now is 323.9 secs Computing kpt #: 47 total cpu time spent up to now is 331.5 secs Computing kpt #: 48 total cpu time spent up to now is 339.0 secs Computing kpt #: 49 total cpu time spent up to now is 347.2 secs Computing kpt #: 50 total cpu time spent up to now is 354.1 secs Computing kpt #: 51 total cpu time spent up to now is 360.6 secs Computing kpt #: 52 total cpu time spent up to now is 366.9 secs Computing kpt #: 53 total cpu time spent up to now is 373.1 secs Computing kpt #: 54 total cpu time spent up to now is 378.9 secs Computing kpt #: 55 total cpu time spent up to now is 384.6 secs Computing kpt #: 56 total cpu time spent up to now is 390.2 secs Computing kpt #: 57 total cpu time spent up to now is 395.9 secs Computing kpt #: 58 total cpu time spent up to now is 401.6 secs Computing kpt #: 59 total cpu time spent up to now is 407.4 secs Computing kpt #: 60 total cpu time spent up to now is 413.1 secs Computing kpt #: 61 total cpu time spent up to now is 418.7 secs Computing kpt #: 62 total cpu time spent up to now is 423.8 secs Computing kpt #: 63 total cpu time spent up to now is 428.9 secs Computing kpt #: 64 total cpu time spent up to now is 434.5 secs Computing kpt #: 65 total cpu time spent up to now is 440.1 secs Computing kpt #: 66 total cpu time spent up to now is 445.7 secs Computing kpt #: 67 total cpu time spent up to now is 451.4 secs Computing kpt #: 68 total cpu time spent up to now is 457.1 secs Computing kpt #: 69 total cpu time spent up to now is 462.6 secs Computing kpt #: 70 total cpu time spent up to now is 468.5 secs Computing kpt #: 71 total cpu time spent up to now is 474.4 secs Computing kpt #: 72 total cpu time spent up to now is 480.2 secs Computing kpt #: 73 total cpu time spent up to now is 487.0 secs Computing kpt #: 74 total cpu time spent up to now is 496.0 secs Computing kpt #: 75 total cpu time spent up to now is 506.5 secs Computing kpt #: 76 total cpu time spent up to now is 514.9 secs Computing kpt #: 77 total cpu time spent up to now is 523.0 secs Computing kpt #: 78 total cpu time spent up to now is 531.2 secs Computing kpt #: 79 total cpu time spent up to now is 539.4 secs Computing kpt #: 80 total cpu time spent up to now is 547.3 secs Computing kpt #: 81 total cpu time spent up to now is 555.7 secs Computing kpt #: 82 total cpu time spent up to now is 563.3 secs Computing kpt #: 83 total cpu time spent up to now is 571.1 secs Computing kpt #: 84 total cpu time spent up to now is 578.6 secs Computing kpt #: 85 total cpu time spent up to now is 586.2 secs Computing kpt #: 86 total cpu time spent up to now is 594.6 secs Computing kpt #: 87 total cpu time spent up to now is 604.4 secs Computing kpt #: 88 total cpu time spent up to now is 613.3 secs Computing kpt #: 89 total cpu time spent up to now is 622.0 secs Computing kpt #: 90 total cpu time spent up to now is 630.9 secs Computing kpt #: 91 total cpu time spent up to now is 639.7 secs Computing kpt #: 92 total cpu time spent up to now is 648.8 secs Computing kpt #: 93 total cpu time spent up to now is 658.1 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 669.1 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 680.1 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 691.2 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 702.2 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 713.1 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 724.0 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 734.9 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 745.7 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 756.5 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 767.3 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 777.9 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 788.2 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 798.3 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 808.7 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 819.2 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 829.6 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 840.1 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 850.6 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 861.1 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 871.6 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 882.2 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 893.1 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 904.1 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 914.8 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 925.6 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 936.3 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 947.1 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 957.9 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 968.6 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 979.2 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 990.1 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1000.8 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1011.7 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1022.5 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1033.3 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1044.1 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1054.9 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1065.8 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1076.5 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1087.4 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1098.3 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1109.1 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1119.9 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1130.7 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1141.7 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1152.6 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1163.5 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1174.4 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1185.2 secs Computing kpt #: 143 total cpu time spent up to now is 1196.9 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1208.5 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1219.5 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1230.5 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1241.3 secs Computing kpt #: 148 total cpu time spent up to now is 1251.8 secs Computing kpt #: 149 total cpu time spent up to now is 1262.1 secs Computing kpt #: 150 total cpu time spent up to now is 1271.3 secs Computing kpt #: 151 total cpu time spent up to now is 1280.4 secs Computing kpt #: 152 total cpu time spent up to now is 1287.2 secs Computing kpt #: 153 total cpu time spent up to now is 1294.0 secs Computing kpt #: 154 total cpu time spent up to now is 1300.7 secs Computing kpt #: 155 total cpu time spent up to now is 1307.6 secs Computing kpt #: 156 total cpu time spent up to now is 1314.3 secs Computing kpt #: 157 total cpu time spent up to now is 1322.8 secs Computing kpt #: 158 total cpu time spent up to now is 1328.9 secs Computing kpt #: 159 total cpu time spent up to now is 1335.9 secs Computing kpt #: 160 total cpu time spent up to now is 1342.6 secs Computing kpt #: 161 total cpu time spent up to now is 1349.6 secs Computing kpt #: 162 total cpu time spent up to now is 1356.2 secs Computing kpt #: 163 total cpu time spent up to now is 1362.6 secs Computing kpt #: 164 total cpu time spent up to now is 1369.0 secs Computing kpt #: 165 total cpu time spent up to now is 1375.3 secs Computing kpt #: 166 total cpu time spent up to now is 1381.3 secs Computing kpt #: 167 total cpu time spent up to now is 1386.9 secs Computing kpt #: 168 total cpu time spent up to now is 1392.2 secs Computing kpt #: 169 total cpu time spent up to now is 1397.5 secs Computing kpt #: 170 total cpu time spent up to now is 1402.9 secs Computing kpt #: 171 total cpu time spent up to now is 1408.1 secs Computing kpt #: 172 total cpu time spent up to now is 1413.2 secs Computing kpt #: 173 total cpu time spent up to now is 1418.5 secs Computing kpt #: 174 total cpu time spent up to now is 1423.6 secs Computing kpt #: 175 total cpu time spent up to now is 1428.7 secs Computing kpt #: 176 total cpu time spent up to now is 1434.1 secs Computing kpt #: 177 total cpu time spent up to now is 1439.3 secs Computing kpt #: 178 total cpu time spent up to now is 1445.0 secs Computing kpt #: 179 total cpu time spent up to now is 1450.7 secs Computing kpt #: 180 total cpu time spent up to now is 1456.4 secs Computing kpt #: 181 total cpu time spent up to now is 1462.6 secs Computing kpt #: 182 total cpu time spent up to now is 1468.8 secs Computing kpt #: 183 total cpu time spent up to now is 1475.8 secs Computing kpt #: 184 total cpu time spent up to now is 1484.6 secs Computing kpt #: 185 total cpu time spent up to now is 1496.2 secs Computing kpt #: 186 total cpu time spent up to now is 1505.3 secs Computing kpt #: 187 total cpu time spent up to now is 1512.8 secs Computing kpt #: 188 total cpu time spent up to now is 1519.7 secs Computing kpt #: 189 total cpu time spent up to now is 1525.9 secs Computing kpt #: 190 total cpu time spent up to now is 1531.8 secs Computing kpt #: 191 total cpu time spent up to now is 1537.8 secs Computing kpt #: 192 total cpu time spent up to now is 1543.4 secs Computing kpt #: 193 total cpu time spent up to now is 1548.8 secs Computing kpt #: 194 total cpu time spent up to now is 1554.2 secs Computing kpt #: 195 total cpu time spent up to now is 1559.5 secs Computing kpt #: 196 total cpu time spent up to now is 1564.8 secs Computing kpt #: 197 total cpu time spent up to now is 1570.0 secs Computing kpt #: 198 total cpu time spent up to now is 1575.1 secs Computing kpt #: 199 total cpu time spent up to now is 1580.2 secs Computing kpt #: 200 total cpu time spent up to now is 1585.3 secs Computing kpt #: 201 total cpu time spent up to now is 1590.3 secs Computing kpt #: 202 total cpu time spent up to now is 1595.5 secs Computing kpt #: 203 total cpu time spent up to now is 1600.7 secs Computing kpt #: 204 total cpu time spent up to now is 1605.9 secs Computing kpt #: 205 total cpu time spent up to now is 1611.4 secs Computing kpt #: 206 total cpu time spent up to now is 1616.8 secs Computing kpt #: 207 total cpu time spent up to now is 1622.1 secs Computing kpt #: 208 total cpu time spent up to now is 1627.5 secs Computing kpt #: 209 total cpu time spent up to now is 1633.1 secs Computing kpt #: 210 total cpu time spent up to now is 1638.7 secs Computing kpt #: 211 total cpu time spent up to now is 1644.3 secs Computing kpt #: 212 total cpu time spent up to now is 1653.0 secs Computing kpt #: 213 total cpu time spent up to now is 1658.7 secs Computing kpt #: 214 total cpu time spent up to now is 1665.0 secs Computing kpt #: 215 total cpu time spent up to now is 1671.2 secs Computing kpt #: 216 total cpu time spent up to now is 1677.3 secs Computing kpt #: 217 total cpu time spent up to now is 1683.7 secs Computing kpt #: 218 total cpu time spent up to now is 1690.1 secs Computing kpt #: 219 total cpu time spent up to now is 1696.3 secs Computing kpt #: 220 total cpu time spent up to now is 1702.6 secs Computing kpt #: 221 total cpu time spent up to now is 1708.9 secs Computing kpt #: 222 total cpu time spent up to now is 1715.4 secs Computing kpt #: 223 total cpu time spent up to now is 1722.1 secs Computing kpt #: 224 total cpu time spent up to now is 1728.5 secs Computing kpt #: 225 total cpu time spent up to now is 1734.9 secs Computing kpt #: 226 total cpu time spent up to now is 1741.4 secs Computing kpt #: 227 total cpu time spent up to now is 1748.3 secs Computing kpt #: 228 total cpu time spent up to now is 1754.9 secs Computing kpt #: 229 total cpu time spent up to now is 1761.6 secs Computing kpt #: 230 total cpu time spent up to now is 1768.1 secs Computing kpt #: 231 total cpu time spent up to now is 1777.5 secs ethr = 1.43E-11, avg # of iterations = 66.9 total cpu time spent up to now is 1777.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2074 -58.2074 -32.6507 -32.6507 -31.8274 -31.8274 -31.8274 -31.8274 -7.5830 -7.5830 -6.3513 -6.3513 -6.3456 -6.3456 -6.3456 -6.3456 0.3561 0.3561 0.3561 0.3561 1.1772 1.1772 1.9187 1.9187 1.9187 1.9187 1.9520 1.9520 2.5456 2.5456 2.5866 2.5866 2.5866 2.5866 3.2971 3.2971 3.2971 3.2971 3.3002 3.3002 3.3843 3.3843 3.3843 3.3843 3.8349 3.8349 3.9516 3.9516 3.9516 3.9516 4.0984 4.0984 4.0984 4.0984 4.1709 4.1709 4.7471 4.7471 4.8415 4.8415 4.8415 4.8415 4.9921 4.9921 5.6760 5.6760 5.6760 5.6760 5.7582 5.7582 7.5284 7.5284 7.5284 7.5284 8.2231 8.2231 8.2574 8.2574 8.2574 8.2574 9.0284 9.0284 11.4220 11.4220 k = 0.0000 0.0167-0.0000 ( 5999 PWs) bands (ev): -58.2074 -58.2074 -32.6507 -32.6507 -31.8274 -31.8274 -31.8274 -31.8274 -7.5824 -7.5824 -6.3515 -6.3515 -6.3461 -6.3461 -6.3456 -6.3456 0.3567 0.3567 0.3572 0.3572 1.1780 1.1780 1.9178 1.9178 1.9193 1.9193 1.9518 1.9518 2.5451 2.5451 2.5856 2.5856 2.5865 2.5865 3.2871 3.2871 3.2971 3.2971 3.2992 3.2992 3.3839 3.3839 3.3950 3.3950 3.8349 3.8349 3.9476 3.9476 3.9556 3.9556 4.0960 4.0960 4.1012 4.1012 4.1708 4.1708 4.7470 4.7470 4.8382 4.8382 4.8441 4.8441 4.9919 4.9919 5.6749 5.6749 5.6765 5.6765 5.7578 5.7578 7.5286 7.5286 7.5290 7.5290 8.2220 8.2220 8.2550 8.2550 8.2575 8.2575 9.0356 9.0356 11.4212 11.4241 k = 0.0000 0.0333-0.0000 ( 5983 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5805 -7.5805 -6.3528 -6.3528 -6.3473 -6.3473 -6.3455 -6.3455 0.3586 0.3586 0.3604 0.3604 1.1803 1.1803 1.9158 1.9158 1.9202 1.9202 1.9514 1.9514 2.5433 2.5433 2.5828 2.5828 2.5858 2.5858 3.2635 3.2635 3.2964 3.2964 3.2982 3.2982 3.3849 3.3849 3.4169 3.4169 3.8349 3.8349 3.9433 3.9433 3.9596 3.9596 4.0932 4.0932 4.1048 4.1048 4.1703 4.1703 4.7464 4.7464 4.8339 4.8339 4.8463 4.8463 4.9914 4.9914 5.6714 5.6714 5.6777 5.6777 5.7566 5.7566 7.5291 7.5291 7.5304 7.5304 8.2176 8.2176 8.2491 8.2491 8.2577 8.2577 9.0568 9.0568 11.4145 11.4145 k = 0.0000 0.0500-0.0000 ( 5975 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5775 -7.5775 -6.3560 -6.3560 -6.3482 -6.3482 -6.3455 -6.3455 0.3618 0.3618 0.3657 0.3657 1.1841 1.1841 1.9122 1.9122 1.9216 1.9216 1.9511 1.9511 2.5401 2.5401 2.5783 2.5783 2.5846 2.5846 3.2344 3.2344 3.2951 3.2951 3.2968 3.2968 3.3868 3.3868 3.4427 3.4427 3.8347 3.8347 3.9390 3.9390 3.9634 3.9634 4.0896 4.0896 4.1095 4.1095 4.1697 4.1697 4.7452 4.7452 4.8284 4.8284 4.8482 4.8482 4.9904 4.9904 5.6654 5.6654 5.6797 5.6797 5.7550 5.7550 7.5298 7.5298 7.5328 7.5328 8.2074 8.2074 8.2435 8.2435 8.2580 8.2580 9.0905 9.0905 11.4037 11.4037 k = 0.0000 0.0667-0.0000 ( 5959 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5732 -7.5732 -6.3612 -6.3612 -6.3485 -6.3485 -6.3454 -6.3454 0.3662 0.3662 0.3731 0.3731 1.1895 1.1895 1.9065 1.9065 1.9235 1.9235 1.9514 1.9514 2.5350 2.5350 2.5727 2.5727 2.5829 2.5829 3.2026 3.2026 3.2933 3.2933 3.2949 3.2949 3.3892 3.3892 3.4698 3.4698 3.8343 3.8343 3.9347 3.9347 3.9675 3.9675 4.0850 4.0850 4.1153 4.1153 4.1691 4.1691 4.7432 4.7432 4.8218 4.8218 4.8502 4.8502 4.9890 4.9890 5.6565 5.6565 5.6824 5.6824 5.7534 5.7534 7.5308 7.5308 7.5360 7.5360 8.1907 8.1907 8.2406 8.2406 8.2584 8.2584 9.1353 9.1353 11.3899 11.3899 k = 0.0000 0.0833-0.0000 ( 5951 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8275 -31.8275 -31.8274 -31.8274 -7.5678 -7.5678 -6.3683 -6.3683 -6.3486 -6.3486 -6.3453 -6.3453 0.3718 0.3718 0.3826 0.3826 1.1963 1.1963 1.8986 1.8986 1.9260 1.9260 1.9524 1.9524 2.5276 2.5276 2.5665 2.5665 2.5808 2.5808 3.1692 3.1692 3.2910 3.2910 3.2925 3.2925 3.3922 3.3922 3.4972 3.4972 3.8338 3.8338 3.9306 3.9306 3.9716 3.9716 4.0791 4.0791 4.1218 4.1218 4.1689 4.1689 4.7403 4.7403 4.8139 4.8139 4.8525 4.8525 4.9873 4.9873 5.6444 5.6444 5.6858 5.6858 5.7522 5.7522 7.5316 7.5316 7.5400 7.5400 8.1698 8.1698 8.2395 8.2395 8.2588 8.2588 9.1893 9.1893 11.3742 11.3742 k = 0.0000 0.1000-0.0000 ( 5927 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8275 -31.8275 -31.8274 -31.8274 -7.5612 -7.5612 -6.3770 -6.3770 -6.3486 -6.3486 -6.3452 -6.3452 0.3786 0.3786 0.3942 0.3942 1.2047 1.2047 1.8884 1.8884 1.9289 1.9289 1.9542 1.9542 2.5175 2.5175 2.5604 2.5604 2.5782 2.5782 3.1345 3.1345 3.2883 3.2883 3.2896 3.2896 3.3958 3.3958 3.5247 3.5247 3.8329 3.8329 3.9268 3.9268 3.9760 3.9760 4.0721 4.0721 4.1285 4.1285 4.1696 4.1696 4.7363 4.7363 4.8050 4.8050 4.8555 4.8555 4.9853 4.9853 5.6293 5.6293 5.6897 5.6897 5.7517 5.7517 7.5323 7.5323 7.5449 7.5449 8.1470 8.1470 8.2394 8.2394 8.2592 8.2592 9.2510 9.2510 11.3575 11.3575 k = 0.0000 0.1167-0.0000 ( 5931 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8275 -31.8275 -31.8274 -31.8274 -7.5534 -7.5534 -6.3873 -6.3873 -6.3485 -6.3485 -6.3451 -6.3451 0.3866 0.3866 0.4078 0.4078 1.2145 1.2145 1.8760 1.8760 1.9323 1.9323 1.9567 1.9567 2.5044 2.5044 2.5545 2.5545 2.5751 2.5751 3.0986 3.0986 3.2852 3.2852 3.2862 3.2862 3.3999 3.3999 3.5519 3.5519 3.8317 3.8317 3.9235 3.9235 3.9806 3.9806 4.0638 4.0638 4.1348 4.1348 4.1717 4.1717 4.7310 4.7310 4.7950 4.7950 4.8590 4.8590 4.9830 4.9830 5.6112 5.6112 5.6941 5.6941 5.7518 5.7518 7.5326 7.5326 7.5504 7.5504 8.1239 8.1239 8.2397 8.2397 8.2596 8.2596 9.3190 9.3190 11.3405 11.3405 k = 0.0000 0.1333-0.0000 ( 5923 PWs) bands (ev): -58.2073 -58.2073 -32.6508 -32.6508 -31.8275 -31.8275 -31.8274 -31.8274 -7.5445 -7.5445 -6.3990 -6.3990 -6.3483 -6.3483 -6.3449 -6.3449 0.3957 0.3957 0.4233 0.4233 1.2258 1.2258 1.8615 1.8615 1.9362 1.9362 1.9599 1.9599 2.4885 2.4885 2.5490 2.5490 2.5717 2.5717 3.0617 3.0617 3.2817 3.2817 3.2825 3.2825 3.4045 3.4045 3.5788 3.5788 3.8302 3.8302 3.9208 3.9208 3.9853 3.9853 4.0546 4.0546 4.1400 4.1400 4.1756 4.1756 4.7245 4.7245 4.7841 4.7841 4.8632 4.8632 4.9804 4.9804 5.5905 5.5905 5.6990 5.6990 5.7526 5.7526 7.5323 7.5323 7.5565 7.5565 8.1016 8.1016 8.2402 8.2402 8.2599 8.2599 9.3923 9.3923 11.3239 11.3239 k = 0.0000 0.1500-0.0000 ( 5919 PWs) bands (ev): -58.2073 -58.2073 -32.6508 -32.6508 -31.8275 -31.8275 -31.8274 -31.8274 -7.5346 -7.5346 -6.4121 -6.4121 -6.3481 -6.3481 -6.3448 -6.3448 0.4058 0.4058 0.4407 0.4407 1.2386 1.2386 1.8449 1.8449 1.9405 1.9405 1.9636 1.9636 2.4702 2.4702 2.5437 2.5437 2.5679 2.5679 3.0238 3.0238 3.2778 3.2778 3.2785 3.2785 3.4094 3.4094 3.6053 3.6053 3.8283 3.8283 3.9188 3.9188 3.9900 3.9900 4.0448 4.0448 4.1439 4.1439 4.1816 4.1816 4.7169 4.7169 4.7725 4.7725 4.8680 4.8680 4.9777 4.9777 5.5675 5.5675 5.7041 5.7041 5.7539 5.7539 7.5313 7.5313 7.5632 7.5632 8.0809 8.0809 8.2408 8.2408 8.2600 8.2600 9.4699 9.4699 11.3081 11.3081 k = 0.0000 0.1667-0.0000 ( 5919 PWs) bands (ev): -58.2073 -58.2073 -32.6508 -32.6508 -31.8276 -31.8276 -31.8274 -31.8274 -7.5236 -7.5236 -6.4264 -6.4264 -6.3479 -6.3479 -6.3447 -6.3447 0.4169 0.4169 0.4600 0.4600 1.2529 1.2529 1.8265 1.8265 1.9452 1.9452 1.9679 1.9679 2.4499 2.4499 2.5383 2.5383 2.5637 2.5637 2.9850 2.9850 3.2736 3.2736 3.2742 3.2742 3.4146 3.4146 3.6314 3.6314 3.8261 3.8261 3.9175 3.9175 3.9943 3.9943 4.0349 4.0349 4.1465 4.1465 4.1892 4.1892 4.7081 4.7081 4.7602 4.7602 4.8733 4.8733 4.9748 4.9748 5.5427 5.5427 5.7095 5.7095 5.7556 5.7556 7.5293 7.5293 7.5703 7.5703 8.0621 8.0621 8.2412 8.2412 8.2599 8.2599 9.5511 9.5511 11.2935 11.2935 k = 0.0000 0.1833-0.0000 ( 5939 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8276 -31.8276 -31.8274 -31.8274 -7.5116 -7.5116 -6.4420 -6.4420 -6.3476 -6.3476 -6.3445 -6.3445 0.4289 0.4289 0.4810 0.4810 1.2685 1.2685 1.8063 1.8063 1.9502 1.9502 1.9726 1.9726 2.4278 2.4278 2.5329 2.5329 2.5592 2.5592 2.9453 2.9453 3.2691 3.2691 3.2698 3.2698 3.4201 3.4201 3.6569 3.6569 3.8237 3.8237 3.9167 3.9167 3.9973 3.9973 4.0259 4.0259 4.1482 4.1482 4.1977 4.1977 4.6985 4.6985 4.7476 4.7476 4.8790 4.8790 4.9719 4.9719 5.5164 5.5164 5.7149 5.7149 5.7577 5.7577 7.5264 7.5264 7.5777 7.5777 8.0457 8.0457 8.2415 8.2415 8.2596 8.2596 9.6352 9.6352 11.2804 11.2804 k = 0.0000 0.2000-0.0000 ( 5927 PWs) bands (ev): -58.2073 -58.2073 -32.6508 -32.6508 -31.8276 -31.8276 -31.8274 -31.8274 -7.4986 -7.4986 -6.4588 -6.4588 -6.3474 -6.3474 -6.3443 -6.3443 0.4418 0.4418 0.5037 0.5037 1.2855 1.2855 1.7844 1.7844 1.9557 1.9557 1.9778 1.9778 2.4043 2.4043 2.5274 2.5274 2.5544 2.5544 2.9048 2.9048 3.2644 3.2644 3.2651 3.2651 3.4259 3.4259 3.6818 3.6818 3.8215 3.8215 3.9167 3.9167 3.9964 3.9964 4.0209 4.0209 4.1497 4.1497 4.2068 4.2068 4.6883 4.6883 4.7347 4.7347 4.8850 4.8850 4.9689 4.9689 5.4889 5.4889 5.7205 5.7205 5.7601 5.7601 7.5225 7.5225 7.5853 7.5853 8.0316 8.0316 8.2417 8.2417 8.2591 8.2591 9.7215 9.7215 11.2689 11.2689 k = 0.0000 0.2167-0.0000 ( 5939 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8276 -31.8276 -31.8274 -31.8274 -7.4848 -7.4848 -6.4765 -6.4765 -6.3471 -6.3471 -6.3442 -6.3442 0.4553 0.4553 0.5281 0.5281 1.3038 1.3038 1.7609 1.7609 1.9614 1.9614 1.9832 1.9832 2.3796 2.3796 2.5216 2.5216 2.5493 2.5493 2.8636 2.8636 3.2594 3.2594 3.2604 3.2604 3.4317 3.4317 3.7056 3.7056 3.8197 3.8197 3.9171 3.9171 3.9897 3.9897 4.0216 4.0216 4.1508 4.1508 4.2157 4.2157 4.6775 4.6775 4.7216 4.7216 4.8911 4.8911 4.9660 4.9660 5.4607 5.4607 5.7259 5.7259 5.7626 5.7626 7.5176 7.5176 7.5931 7.5931 8.0200 8.0200 8.2416 8.2416 8.2582 8.2582 9.8094 9.8094 11.2591 11.2591 k = 0.0000 0.2333-0.0000 ( 5931 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8277 -31.8277 -31.8274 -31.8274 -7.4702 -7.4702 -6.4951 -6.4951 -6.3468 -6.3468 -6.3440 -6.3440 0.4695 0.4695 0.5539 0.5539 1.3235 1.3235 1.7359 1.7359 1.9673 1.9673 1.9890 1.9890 2.3540 2.3540 2.5158 2.5158 2.5440 2.5440 2.8219 2.8219 3.2544 3.2544 3.2556 3.2556 3.4377 3.4377 3.7277 3.7277 3.8190 3.8190 3.9180 3.9180 3.9799 3.9799 4.0257 4.0257 4.1519 4.1519 4.2242 4.2242 4.6665 4.6665 4.7086 4.7086 4.8973 4.8973 4.9632 4.9632 5.4320 5.4320 5.7313 5.7313 5.7653 5.7653 7.5118 7.5118 7.6009 7.6009 8.0107 8.0107 8.2413 8.2413 8.2571 8.2571 9.8985 9.8985 11.2511 11.2511 k = 0.0000 0.2500-0.0000 ( 5930 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8277 -31.8277 -31.8274 -31.8274 -7.4548 -7.4548 -6.5145 -6.5145 -6.3465 -6.3465 -6.3438 -6.3438 0.4843 0.4843 0.5812 0.5812 1.3443 1.3443 1.7096 1.7096 1.9735 1.9735 1.9949 1.9949 2.3278 2.3278 2.5098 2.5098 2.5386 2.5386 2.7797 2.7797 3.2494 3.2494 3.2507 3.2507 3.4437 3.4437 3.7468 3.7468 3.8209 3.8209 3.9192 3.9192 3.9694 3.9694 4.0308 4.0308 4.1530 4.1530 4.2321 4.2321 4.6553 4.6553 4.6958 4.6958 4.9035 4.9035 4.9607 4.9607 5.4031 5.4031 5.7366 5.7366 5.7681 5.7681 7.5053 7.5053 7.6087 7.6087 8.0036 8.0036 8.2408 8.2408 8.2557 8.2557 9.9881 9.9881 11.2447 11.2447 k = 0.0000 0.2667-0.0000 ( 5922 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8277 -31.8277 -31.8274 -31.8274 -7.4388 -7.4388 -6.5345 -6.5345 -6.3462 -6.3462 -6.3436 -6.3436 0.4993 0.4993 0.6097 0.6097 1.3661 1.3661 1.6822 1.6822 1.9798 1.9798 2.0010 2.0010 2.3013 2.3013 2.5038 2.5038 2.5331 2.5331 2.7372 2.7372 3.2443 3.2443 3.2459 3.2459 3.4497 3.4497 3.7608 3.7608 3.8273 3.8273 3.9206 3.9206 3.9589 3.9589 4.0363 4.0363 4.1541 4.1541 4.2391 4.2391 4.6442 4.6442 4.6832 4.6832 4.9095 4.9095 4.9586 4.9586 5.3742 5.3742 5.7416 5.7416 5.7709 5.7709 7.4983 7.4983 7.6163 7.6163 7.9983 7.9983 8.2400 8.2400 8.2540 8.2540 10.0777 10.0777 11.2399 11.2399 k = 0.0000 0.2833-0.0000 ( 5934 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8278 -31.8278 -31.8274 -31.8274 -7.4222 -7.4222 -6.5550 -6.5550 -6.3459 -6.3459 -6.3435 -6.3435 0.5147 0.5147 0.6394 0.6394 1.3889 1.3889 1.6536 1.6536 1.9861 1.9861 2.0071 2.0071 2.2747 2.2747 2.4976 2.4976 2.5275 2.5275 2.6946 2.6946 3.2394 3.2394 3.2410 3.2410 3.4557 3.4557 3.7685 3.7685 3.8393 3.8393 3.9223 3.9223 3.9489 3.9489 4.0419 4.0419 4.1552 4.1552 4.2449 4.2449 4.6333 4.6333 4.6710 4.6710 4.9154 4.9154 4.9569 4.9569 5.3455 5.3455 5.7463 5.7463 5.7736 5.7736 7.4909 7.4909 7.6238 7.6238 7.9946 7.9946 8.2389 8.2389 8.2521 8.2521 10.1667 10.1667 11.2365 11.2365 k = 0.0000 0.3000-0.0000 ( 5930 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8278 -31.8278 -31.8274 -31.8274 -7.4053 -7.4053 -6.5758 -6.5758 -6.3456 -6.3456 -6.3433 -6.3433 0.5300 0.5300 0.6702 0.6702 1.4124 1.4124 1.6244 1.6244 1.9924 1.9924 2.0132 2.0132 2.2483 2.2483 2.4913 2.4913 2.5219 2.5219 2.6522 2.6522 3.2346 3.2346 3.2363 3.2363 3.4615 3.4615 3.7711 3.7711 3.8554 3.8554 3.9242 3.9242 3.9400 3.9400 4.0475 4.0475 4.1563 4.1563 4.2495 4.2495 4.6228 4.6228 4.6593 4.6593 4.9211 4.9211 4.9559 4.9559 5.3172 5.3172 5.7508 5.7508 5.7764 5.7764 7.4833 7.4833 7.6309 7.6309 7.9923 7.9923 8.2377 8.2377 8.2500 8.2500 10.2545 10.2545 11.2344 11.2344 k = 0.0000 0.3167-0.0000 ( 5918 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8278 -31.8278 -31.8274 -31.8274 -7.3881 -7.3881 -6.5967 -6.5967 -6.3453 -6.3453 -6.3432 -6.3432 0.5453 0.5453 0.7018 0.7018 1.4361 1.4361 1.5947 1.5947 1.9988 1.9988 2.0194 2.0194 2.2225 2.2225 2.4848 2.4848 2.5164 2.5164 2.6104 2.6104 3.2300 3.2300 3.2317 3.2317 3.4672 3.4672 3.7708 3.7708 3.8724 3.8724 3.9264 3.9264 3.9329 3.9329 4.0529 4.0529 4.1574 4.1574 4.2528 4.2528 4.6128 4.6128 4.6481 4.6481 4.9264 4.9264 4.9557 4.9557 5.2896 5.2896 5.7550 5.7550 5.7792 5.7792 7.4758 7.4758 7.6377 7.6377 7.9911 7.9911 8.2364 8.2364 8.2478 8.2478 10.3404 10.3404 11.2333 11.2333 k = 0.0000 0.3333-0.0000 ( 5918 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8278 -31.8278 -31.8274 -31.8274 -7.3708 -7.3708 -6.6175 -6.6175 -6.3450 -6.3450 -6.3430 -6.3430 0.5603 0.5603 0.7342 0.7342 1.4590 1.4590 1.5658 1.5658 2.0049 2.0049 2.0254 2.0254 2.1975 2.1975 2.4779 2.4779 2.5110 2.5110 2.5697 2.5697 3.2256 3.2256 3.2274 3.2274 3.4726 3.4726 3.7691 3.7691 3.8863 3.8863 3.9280 3.9280 3.9313 3.9313 4.0581 4.0581 4.1585 4.1585 4.2544 4.2544 4.6033 4.6033 4.6376 4.6376 4.9314 4.9314 4.9565 4.9565 5.2627 5.2627 5.7588 5.7588 5.7818 5.7818 7.4685 7.4685 7.6441 7.6441 7.9907 7.9907 8.2349 8.2349 8.2454 8.2454 10.4238 10.4238 11.2329 11.2329 k = 0.0000 0.3500-0.0000 ( 5918 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8279 -31.8279 -31.8274 -31.8274 -7.3536 -7.3536 -6.6380 -6.6380 -6.3448 -6.3448 -6.3429 -6.3429 0.5748 0.5748 0.7670 0.7670 1.4773 1.4773 1.5412 1.5412 2.0109 2.0109 2.0311 2.0311 2.1736 2.1736 2.4697 2.4697 2.5058 2.5058 2.5315 2.5315 3.2215 3.2215 3.2232 3.2232 3.4778 3.4778 3.7667 3.7667 3.8920 3.8920 3.9282 3.9282 3.9402 3.9402 4.0631 4.0631 4.1596 4.1596 4.2544 4.2544 4.5945 4.5945 4.6278 4.6278 4.9358 4.9358 4.9587 4.9587 5.2366 5.2366 5.7622 5.7622 5.7844 5.7844 7.4615 7.4615 7.6501 7.6501 7.9910 7.9910 8.2334 8.2334 8.2430 8.2430 10.5039 10.5039 11.2330 11.2330 k = 0.0000 0.3667-0.0000 ( 5930 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8279 -31.8279 -31.8274 -31.8274 -7.3368 -7.3368 -6.6579 -6.6579 -6.3445 -6.3445 -6.3428 -6.3428 0.5886 0.5886 0.8000 0.8000 1.4764 1.4764 1.5356 1.5356 2.0165 2.0165 2.0365 2.0365 2.1511 2.1511 2.4570 2.4570 2.4993 2.4993 2.5008 2.5008 3.2177 3.2177 3.2194 3.2194 3.4826 3.4826 3.7640 3.7640 3.8906 3.8906 3.9293 3.9293 3.9555 3.9555 4.0677 4.0677 4.1606 4.1606 4.2529 4.2529 4.5865 4.5865 4.6188 4.6188 4.9394 4.9394 4.9624 4.9624 5.2115 5.2115 5.7652 5.7652 5.7867 5.7867 7.4549 7.4549 7.6555 7.6555 7.9916 7.9916 8.2318 8.2318 8.2407 8.2407 10.5800 10.5800 11.2332 11.2332 k = 0.0000 0.3833-0.0000 ( 5946 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8279 -31.8279 -31.8274 -31.8274 -7.3206 -7.3206 -6.6769 -6.6769 -6.3443 -6.3443 -6.3427 -6.3427 0.6015 0.6015 0.8330 0.8330 1.4535 1.4535 1.5516 1.5516 2.0217 2.0217 2.0415 2.0415 2.1303 2.1303 2.4338 2.4338 2.4798 2.4798 2.4962 2.4962 3.2143 3.2143 3.2158 3.2158 3.4871 3.4871 3.7612 3.7612 3.8866 3.8866 3.9306 3.9306 3.9735 3.9735 4.0719 4.0719 4.1616 4.1616 4.2499 4.2499 4.5793 4.5793 4.6107 4.6107 4.9422 4.9422 4.9678 4.9678 5.1873 5.1873 5.7678 5.7678 5.7890 5.7890 7.4489 7.4489 7.6603 7.6603 7.9926 7.9926 8.2303 8.2303 8.2384 8.2384 10.6511 10.6511 11.2333 11.2333 k = 0.0000 0.4000-0.0000 ( 5962 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8279 -31.8279 -31.8274 -31.8274 -7.3054 -7.3054 -6.6946 -6.6946 -6.3441 -6.3441 -6.3426 -6.3426 0.6132 0.6132 0.8654 0.8654 1.4247 1.4247 1.5731 1.5731 2.0264 2.0264 2.0461 2.0461 2.1116 2.1116 2.4035 2.4035 2.4702 2.4702 2.4920 2.4920 3.2112 3.2112 3.2127 3.2127 3.4911 3.4911 3.7585 3.7585 3.8821 3.8821 3.9319 3.9319 3.9917 3.9917 4.0758 4.0758 4.1625 4.1625 4.2456 4.2456 4.5729 4.5729 4.6035 4.6035 4.9445 4.9445 4.9747 4.9747 5.1641 5.1641 5.7701 5.7701 5.7909 5.7909 7.4436 7.4436 7.6646 7.6646 7.9936 7.9936 8.2289 8.2289 8.2362 8.2362 10.7164 10.7164 11.2329 11.2329 k = 0.0000 0.4167-0.0000 ( 5950 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8279 -31.8279 -31.8274 -31.8274 -7.2915 -7.2915 -6.7107 -6.7107 -6.3439 -6.3439 -6.3426 -6.3426 0.6236 0.6236 0.8967 0.8967 1.3953 1.3953 1.5947 1.5947 2.0307 2.0307 2.0501 2.0501 2.0953 2.0953 2.3731 2.3731 2.4643 2.4643 2.4883 2.4883 3.2087 3.2087 3.2099 3.2099 3.4946 3.4946 3.7561 3.7561 3.8780 3.8780 3.9329 3.9329 4.0092 4.0092 4.0793 4.0793 4.1634 4.1634 4.2402 4.2402 4.5675 4.5675 4.5973 4.5973 4.9463 4.9463 4.9831 4.9831 5.1422 5.1422 5.7720 5.7720 5.7927 5.7927 7.4390 7.4390 7.6683 7.6683 7.9947 7.9947 8.2276 8.2276 8.2343 8.2343 10.7749 10.7749 11.2319 11.2319 k = 0.0000 0.4333-0.0000 ( 5934 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8279 -31.8279 -31.8274 -31.8274 -7.2793 -7.2793 -6.7247 -6.7247 -6.3437 -6.3437 -6.3425 -6.3425 0.6324 0.6324 0.9261 0.9261 1.3671 1.3671 1.6146 1.6146 2.0343 2.0343 2.0536 2.0536 2.0815 2.0815 2.3455 2.3455 2.4601 2.4601 2.4852 2.4852 3.2065 3.2065 3.2076 3.2076 3.4976 3.4976 3.7540 3.7540 3.8744 3.8744 3.9339 3.9339 4.0251 4.0251 4.0824 4.0824 4.1641 4.1641 4.2342 4.2342 4.5631 4.5631 4.5921 4.5921 4.9478 4.9478 4.9927 4.9927 5.1214 5.1214 5.7736 5.7736 5.7942 5.7942 7.4352 7.4352 7.6714 7.6714 7.9957 7.9957 8.2266 8.2266 8.2326 8.2326 10.8255 10.8255 11.2302 11.2302 k = 0.0000 0.4500-0.0000 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2692 -7.2692 -6.7362 -6.7362 -6.3435 -6.3435 -6.3425 -6.3425 0.6394 0.6394 0.9523 0.9523 1.3417 1.3417 1.6317 1.6317 2.0371 2.0371 2.0563 2.0563 2.0706 2.0706 2.3223 2.3223 2.4570 2.4570 2.4828 2.4828 3.2049 3.2049 3.2057 3.2057 3.5001 3.5001 3.7523 3.7523 3.8716 3.8716 3.9346 3.9346 4.0387 4.0387 4.0852 4.0852 4.1649 4.1649 4.2282 4.2282 4.5596 4.5596 4.5880 4.5880 4.9490 4.9490 5.0036 5.0036 5.1018 5.1018 5.7748 5.7748 5.7954 5.7954 7.4322 7.4322 7.6737 7.6737 7.9966 7.9966 8.2257 8.2257 8.2312 8.2312 10.8669 10.8669 11.2280 11.2280 k = 0.0000 0.4667-0.0000 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2616 -7.2616 -6.7448 -6.7448 -6.3434 -6.3434 -6.3425 -6.3425 0.6446 0.6446 0.9736 0.9736 1.3209 1.3209 1.6448 1.6448 2.0392 2.0392 2.0583 2.0583 2.0627 2.0627 2.3047 2.3047 2.4549 2.4549 2.4809 2.4809 3.2038 3.2038 3.2043 3.2043 3.5018 3.5018 3.7510 3.7510 3.8695 3.8695 3.9351 3.9351 4.0490 4.0490 4.0874 4.0874 4.1654 4.1654 4.2228 4.2228 4.5571 4.5571 4.5851 4.5851 4.9498 4.9498 5.0153 5.0153 5.0839 5.0839 5.7757 5.7757 5.7963 5.7963 7.4301 7.4301 7.6754 7.6754 7.9972 7.9972 8.2251 8.2251 8.2302 8.2302 10.8980 10.8980 11.2256 11.2256 k = 0.0000 0.4833-0.0000 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2569 -7.2569 -6.7501 -6.7501 -6.3434 -6.3434 -6.3425 -6.3425 0.6477 0.6477 0.9878 0.9878 1.3070 1.3070 1.6531 1.6531 2.0405 2.0405 2.0578 2.0578 2.0596 2.0596 2.2937 2.2937 2.4536 2.4536 2.4798 2.4798 3.2031 3.2031 3.2034 3.2034 3.5029 3.5029 3.7502 3.7502 3.8683 3.8683 3.9354 3.9354 4.0555 4.0555 4.0891 4.0891 4.1658 4.1658 4.2190 4.2190 4.5556 4.5556 4.5833 4.5833 4.9503 4.9503 5.0269 5.0269 5.0685 5.0685 5.7762 5.7762 5.7968 5.7968 7.4288 7.4288 7.6765 7.6765 7.9976 7.9976 8.2247 8.2247 8.2295 8.2295 10.9174 10.9174 11.2238 11.2238 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2553 -7.2553 -6.7519 -6.7519 -6.3433 -6.3433 -6.3425 -6.3425 0.6488 0.6488 0.9929 0.9929 1.3021 1.3021 1.6560 1.6560 2.0409 2.0409 2.0563 2.0563 2.0600 2.0600 2.2900 2.2900 2.4532 2.4532 2.4795 2.4795 3.2030 3.2030 3.2030 3.2030 3.5033 3.5033 3.7500 3.7500 3.8679 3.8679 3.9355 3.9355 4.0577 4.0577 4.0897 4.0897 4.1659 4.1659 4.2177 4.2177 4.5551 4.5551 4.5827 4.5827 4.9505 4.9505 5.0337 5.0337 5.0606 5.0606 5.7764 5.7764 5.7970 5.7970 7.4283 7.4283 7.6768 7.6768 7.9978 7.9978 8.2246 8.2246 8.2293 8.2293 10.9240 10.9240 11.2231 11.2231 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2553 -7.2553 -6.7519 -6.7519 -6.3433 -6.3433 -6.3425 -6.3425 0.6488 0.6488 0.9929 0.9929 1.3021 1.3021 1.6560 1.6560 2.0409 2.0409 2.0563 2.0563 2.0600 2.0600 2.2900 2.2900 2.4532 2.4532 2.4795 2.4795 3.2030 3.2030 3.2030 3.2030 3.5033 3.5033 3.7500 3.7500 3.8679 3.8679 3.9355 3.9355 4.0577 4.0577 4.0897 4.0897 4.1659 4.1659 4.2177 4.2177 4.5551 4.5551 4.5827 4.5827 4.9505 4.9505 5.0337 5.0337 5.0606 5.0606 5.7764 5.7764 5.7970 5.7970 7.4283 7.4283 7.6768 7.6768 7.9978 7.9978 8.2246 8.2246 8.2293 8.2293 10.9240 10.9240 11.2231 11.2231 k = 0.0167 0.5000-0.0000 ( 5922 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2548 -7.2548 -6.7517 -6.7517 -6.3438 -6.3437 -6.3429 -6.3428 0.6491 0.6497 0.9928 0.9930 1.3017 1.3022 1.6560 1.6565 2.0392 2.0420 2.0549 2.0566 2.0600 2.0602 2.2903 2.2905 2.4526 2.4529 2.4789 2.4793 3.2004 3.2005 3.2019 3.2022 3.5045 3.5046 3.7482 3.7517 3.8648 3.8710 3.9228 3.9492 4.0552 4.0582 4.0861 4.0948 4.1586 4.1765 4.2146 4.2215 4.5482 4.5577 4.5765 4.5877 4.9487 4.9589 5.0292 5.0384 5.0584 5.0619 5.7729 5.7785 5.7961 5.7965 7.4286 7.4300 7.6766 7.6773 7.9981 7.9992 8.2240 8.2248 8.2290 8.2299 10.9254 10.9256 11.2249 11.2270 k = 0.0333 0.5000-0.0000 ( 5922 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2533 -7.2532 -6.7510 -6.7510 -6.3454 -6.3452 -6.3436 -6.3435 0.6505 0.6517 0.9928 0.9933 1.3010 1.3019 1.6565 1.6576 2.0369 2.0425 2.0529 2.0556 2.0599 2.0610 2.2915 2.2920 2.4512 2.4517 2.4775 2.4785 3.1945 3.1946 3.1971 3.1982 3.5081 3.5083 3.7466 3.7533 3.8619 3.8738 3.9115 3.9636 4.0515 4.0569 4.0824 4.1023 4.1549 4.1894 4.2122 4.2267 4.5348 4.5582 4.5725 4.5888 4.9544 4.9719 5.0254 5.0438 5.0550 5.0629 5.7681 5.7794 5.7939 5.7947 7.4310 7.4338 7.6767 7.6780 8.0001 8.0023 8.2223 8.2232 8.2297 8.2320 10.9299 10.9304 11.2324 11.2365 k = 0.0500 0.5000-0.0000 ( 5920 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2507 -7.2505 -6.7500 -6.7499 -6.3482 -6.3480 -6.3446 -6.3445 0.6532 0.6549 0.9929 0.9936 1.3000 1.3014 1.6575 1.6592 2.0341 2.0423 2.0506 2.0536 2.0596 2.0620 2.2935 2.2943 2.4492 2.4496 2.4753 2.4771 3.1854 3.1854 3.1889 3.1909 3.5139 3.5142 3.7452 3.7547 3.8593 3.8757 3.9024 3.9783 4.0474 4.0545 4.0779 4.1121 4.1546 4.2018 4.2127 4.2334 4.5162 4.5567 4.5710 4.5859 4.9663 4.9863 5.0230 5.0482 5.0504 5.0669 5.7618 5.7787 5.7907 5.7917 7.4353 7.4394 7.6770 7.6789 8.0038 8.0071 8.2185 8.2195 8.2324 8.2362 10.9374 10.9382 11.2455 11.2517 k = 0.0667 0.5000-0.0000 ( 5928 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2470 -7.2469 -6.7485 -6.7485 -6.3522 -6.3519 -6.3460 -6.3459 0.6569 0.6592 0.9931 0.9940 1.2986 1.3005 1.6591 1.6613 2.0309 2.0412 2.0481 2.0509 2.0591 2.0630 2.2964 2.2975 2.4464 2.4464 2.4723 2.4753 3.1733 3.1736 3.1776 3.1808 3.5214 3.5218 3.7442 3.7559 3.8573 3.8753 3.8965 3.9930 4.0433 4.0519 4.0728 4.1236 4.1565 4.2039 4.2248 4.2423 4.4946 4.5522 4.5709 4.5811 4.9795 4.9983 5.0257 5.0447 5.0482 5.0797 5.7540 5.7762 5.7869 5.7884 7.4415 7.4470 7.6778 7.6803 8.0088 8.0132 8.2130 8.2143 8.2367 8.2418 10.9480 10.9490 11.2642 11.2724 k = 0.0833 0.5000-0.0000 ( 5924 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8275 -31.8275 -7.2424 -7.2422 -6.7466 -6.7466 -6.3573 -6.3569 -6.3477 -6.3476 0.6618 0.6646 0.9934 0.9945 1.2969 1.2993 1.6614 1.6640 2.0272 2.0389 2.0457 2.0476 2.0586 2.0639 2.3001 2.3015 2.4420 2.4429 2.4686 2.4732 3.1588 3.1591 3.1637 3.1681 3.5301 3.5307 3.7435 3.7569 3.8559 3.8722 3.8947 4.0070 4.0397 4.0497 4.0678 4.1366 4.1597 4.2019 4.2422 4.2534 4.4715 4.5430 4.5717 4.5772 4.9852 5.0057 5.0371 5.0417 5.0445 5.1016 5.7448 5.7709 5.7829 5.7857 7.4494 7.4562 7.6791 7.6820 8.0150 8.0204 8.2063 8.2080 8.2425 8.2488 10.9614 10.9627 11.2884 11.2985 k = 0.1000 0.5000-0.0000 ( 5924 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8275 -31.8275 -7.2367 -7.2364 -6.7443 -6.7443 -6.3635 -6.3630 -6.3498 -6.3497 0.6678 0.6711 0.9938 0.9951 1.2948 1.2976 1.6642 1.6674 2.0231 2.0354 2.0436 2.0437 2.0581 2.0647 2.3046 2.3063 2.4365 2.4385 2.4643 2.4708 3.1421 3.1421 3.1478 3.1533 3.5396 3.5403 3.7433 3.7578 3.8551 3.8676 3.8956 4.0183 4.0381 4.0480 4.0632 4.1502 4.1637 4.1996 4.2609 4.2668 4.4477 4.5293 4.5730 4.5753 4.9825 5.0089 5.0298 5.0388 5.0683 5.1296 5.7340 5.7630 5.7793 5.7842 7.4588 7.4670 7.6810 7.6844 8.0219 8.0283 8.1991 8.2011 8.2496 8.2570 10.9777 10.9792 11.3179 11.3299 k = 0.1167 0.5000-0.0000 ( 5928 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8275 -31.8275 -7.2300 -7.2298 -6.7416 -6.7416 -6.3707 -6.3702 -6.3522 -6.3521 0.6748 0.6787 0.9942 0.9958 1.2922 1.2955 1.6678 1.6715 2.0187 2.0308 2.0393 2.0415 2.0576 2.0655 2.3097 2.3117 2.4298 2.4334 2.4595 2.4683 3.1230 3.1237 3.1302 3.1367 3.5494 3.5503 3.7436 3.7586 3.8549 3.8631 3.8975 4.0223 4.0425 4.0470 4.0597 4.1632 4.1685 4.1982 4.2802 4.2822 4.4239 4.5127 4.5746 4.5750 4.9757 5.0088 5.0210 5.0315 5.1014 5.1611 5.7219 5.7529 5.7766 5.7838 7.4696 7.4791 7.6838 7.6875 8.0289 8.0361 8.1919 8.1942 8.2576 8.2660 10.9965 10.9982 11.3527 11.3664 k = 0.1333 0.5000-0.0000 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8275 -31.8275 -7.2224 -7.2221 -6.7385 -6.7385 -6.3790 -6.3785 -6.3550 -6.3549 0.6829 0.6872 0.9947 0.9964 1.2891 1.2928 1.6722 1.6764 2.0141 2.0255 2.0346 2.0393 2.0573 2.0663 2.3154 2.3178 2.4221 2.4272 2.4544 2.4657 3.1021 3.1038 3.1114 3.1185 3.5592 3.5602 3.7445 3.7596 3.8555 3.8594 3.9000 4.0205 4.0469 4.0489 4.0596 4.1724 4.1745 4.2009 4.2993 4.2998 4.4005 4.4944 4.5747 4.5776 4.9668 5.0059 5.0113 5.0233 5.1375 5.1943 5.7084 5.7411 5.7755 5.7847 7.4816 7.4923 7.6875 7.6916 8.0350 8.0429 8.1859 8.1884 8.2665 8.2758 11.0178 11.0197 11.3925 11.4077 k = 0.1500 0.5000-0.0000 ( 5938 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8275 -31.8275 -7.2139 -7.2135 -6.7351 -6.7351 -6.3883 -6.3877 -6.3581 -6.3580 0.6919 0.6967 0.9953 0.9972 1.2854 1.2895 1.6774 1.6820 2.0091 2.0197 2.0296 2.0369 2.0571 2.0670 2.3217 2.3244 2.4133 2.4200 2.4491 2.4629 3.0798 3.0827 3.0914 3.0992 3.5687 3.5697 3.7457 3.7609 3.8566 3.8566 3.9027 4.0174 4.0475 4.0485 4.0668 4.1744 4.1817 4.2107 4.3177 4.3193 4.3780 4.4754 4.5750 4.5806 4.9564 5.0002 5.0007 5.0144 5.1746 5.2277 5.6937 5.7278 5.7767 5.7873 7.4943 7.5062 7.6924 7.6967 8.0392 8.0474 8.1822 8.1847 8.2762 8.2862 11.0414 11.0434 11.4370 11.4537 k = 0.1667 0.5000-0.0000 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8275 -31.8275 -7.2044 -7.2040 -6.7313 -6.7313 -6.3985 -6.3979 -6.3616 -6.3615 0.7019 0.7071 0.9960 0.9979 1.2811 1.2856 1.6835 1.6886 2.0040 2.0134 2.0245 2.0346 2.0570 2.0676 2.3285 2.3313 2.4037 2.4118 2.4440 2.4602 3.0564 3.0608 3.0705 3.0788 3.5777 3.5786 3.7475 3.7628 3.8547 3.8585 3.9058 4.0143 4.0457 4.0487 4.0757 4.1716 4.1907 4.2252 4.3370 4.3371 4.3580 4.4561 4.5756 4.5843 4.9448 4.9893 4.9918 5.0055 5.2116 5.2602 5.6781 5.7134 5.7809 5.7922 7.5075 7.5204 7.6987 7.7033 8.0403 8.0483 8.1823 8.1843 8.2863 8.2970 11.0670 11.0690 11.4860 11.5039 k = 0.1833 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8275 -31.8275 -7.1941 -7.1937 -6.7273 -6.7273 -6.4096 -6.4090 -6.3653 -6.3652 0.7128 0.7184 0.9966 0.9987 1.2761 1.2809 1.6906 1.6961 1.9987 2.0067 2.0194 2.0323 2.0570 2.0682 2.3356 2.3382 2.3935 2.4025 2.4390 2.4573 3.0323 3.0383 3.0488 3.0575 3.5860 3.5867 3.7497 3.7652 3.8535 3.8608 3.9093 4.0114 4.0427 4.0506 4.0838 4.1669 4.2011 4.2413 4.3323 4.3570 4.3613 4.4370 4.5763 4.5886 4.9322 4.9771 4.9807 4.9963 5.2474 5.2908 5.6617 5.6979 5.7888 5.7999 7.5207 7.5345 7.7066 7.7115 8.0376 8.0448 8.1869 8.1881 8.2967 8.3080 11.0943 11.0964 11.5390 11.5577 k = 0.2000 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8276 -31.8276 -7.1830 -7.1825 -6.7229 -6.7229 -6.4216 -6.4209 -6.3693 -6.3692 0.7246 0.7305 0.9973 0.9995 1.2704 1.2754 1.6987 1.7046 1.9931 1.9997 2.0147 2.0301 2.0571 2.0687 2.3426 2.3443 2.3836 2.3927 2.4342 2.4546 3.0079 3.0155 3.0264 3.0356 3.5936 3.5938 3.7522 3.7684 3.8529 3.8634 3.9132 4.0086 4.0401 4.0529 4.0909 4.1610 4.2130 4.2578 4.3139 4.3773 4.3791 4.4184 4.5771 4.5934 4.9186 4.9642 4.9678 4.9864 5.2810 5.3185 5.6448 5.6816 5.8010 5.8110 7.5338 7.5482 7.7164 7.7217 8.0311 8.0373 8.1958 8.1960 8.3073 8.3191 11.1232 11.1252 11.5954 11.6146 k = 0.2167 0.5000-0.0000 ( 5938 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8281 -31.8280 -31.8276 -31.8276 -7.1711 -7.1706 -6.7183 -6.7183 -6.4344 -6.4336 -6.3735 -6.3734 0.7371 0.7433 0.9981 1.0004 1.2638 1.2691 1.7079 1.7141 1.9872 1.9925 2.0104 2.0282 2.0573 2.0693 2.3470 2.3485 2.3764 2.3831 2.4296 2.4520 2.9832 2.9924 3.0035 3.0131 3.5999 3.6004 3.7551 3.7723 3.8527 3.8662 3.9177 4.0056 4.0385 4.0556 4.0972 4.1544 4.2260 4.2741 4.2967 4.3949 4.3970 4.4031 4.5780 4.5988 4.9042 4.9505 4.9535 4.9753 5.3116 5.3427 5.6275 5.6647 5.8179 5.8259 7.5463 7.5611 7.7281 7.7338 8.0215 8.0267 8.2073 8.2081 8.3179 8.3300 11.1531 11.1550 11.6543 11.6733 k = 0.2333 0.5000-0.0000 ( 5936 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8281 -31.8281 -31.8276 -31.8276 -7.1585 -7.1580 -6.7134 -6.7134 -6.4479 -6.4471 -6.3780 -6.3779 0.7504 0.7568 0.9988 1.0012 1.2564 1.2618 1.7182 1.7248 1.9810 1.9851 2.0068 2.0267 2.0576 2.0697 2.3420 2.3500 2.3761 2.3773 2.4255 2.4497 2.9586 2.9694 2.9803 2.9902 3.6051 3.6065 3.7582 3.7768 3.8528 3.8689 3.9226 4.0020 4.0384 4.0585 4.1030 4.1471 4.2397 4.2777 4.2937 4.3819 4.4143 4.4192 4.5790 4.6047 4.8890 4.9363 4.9382 4.9629 5.3386 5.3632 5.6100 5.6474 5.8393 5.8448 7.5579 7.5728 7.7417 7.7481 8.0097 8.0139 8.2212 8.2229 8.3284 8.3407 11.1838 11.1856 11.7141 11.7317 k = 0.2500 0.5000-0.0000 ( 5916 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8281 -31.8281 -31.8276 -31.8276 -7.1452 -7.1447 -6.7084 -6.7084 -6.4621 -6.4613 -6.3826 -6.3825 0.7644 0.7709 0.9996 1.0019 1.2482 1.2536 1.7297 1.7366 1.9746 1.9777 2.0040 2.0256 2.0580 2.0702 2.3308 2.3428 2.3794 2.3811 2.4217 2.4479 2.9343 2.9465 2.9569 2.9671 3.6096 3.6119 3.7617 3.7819 3.8531 3.8715 3.9281 3.9976 4.0398 4.0616 4.1083 4.1393 4.2537 4.2645 4.3094 4.3660 4.4308 4.4392 4.5802 4.6109 4.8732 4.9216 4.9219 4.9493 5.3619 5.3800 5.5927 5.6299 5.8649 5.8677 7.5685 7.5833 7.7574 7.7644 7.9965 7.9998 8.2368 8.2392 8.3385 8.3510 11.2150 11.2166 11.7716 11.7858 k = 0.2667 0.5000-0.0000 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8281 -31.8281 -31.8276 -31.8276 -7.1314 -7.1308 -6.7032 -6.7032 -6.4769 -6.4760 -6.3874 -6.3873 0.7790 0.7856 1.0003 1.0027 1.2390 1.2444 1.7424 1.7496 1.9679 1.9702 2.0020 2.0249 2.0585 2.0706 2.3167 2.3301 2.3859 2.3876 2.4187 2.4469 2.9102 2.9239 2.9334 2.9437 3.6132 3.6166 3.7653 3.7872 3.8534 3.8736 3.9340 3.9925 4.0427 4.0643 4.1134 4.1311 4.2523 4.2670 4.3257 4.3517 4.4462 4.4588 4.5814 4.6174 4.8567 4.9049 4.9063 4.9345 5.3812 5.3933 5.5757 5.6123 5.8941 5.8942 7.5781 7.5924 7.7747 7.7825 7.9828 7.9852 8.2535 8.2563 8.3483 8.3608 11.2462 11.2475 11.8199 11.8273 k = 0.2833 0.5000-0.0000 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8281 -31.8281 -31.8276 -31.8276 -7.1171 -7.1165 -6.6979 -6.6979 -6.4921 -6.4912 -6.3923 -6.3922 0.7942 0.8009 1.0010 1.0034 1.2289 1.2342 1.7564 1.7637 1.9612 1.9629 2.0010 2.0247 2.0591 2.0710 2.3012 2.3152 2.3931 2.3938 2.4169 2.4473 2.8865 2.9017 2.9101 2.9205 3.6164 3.6207 3.7692 3.7927 3.8537 3.8752 3.9402 3.9869 4.0465 4.0663 4.1186 4.1232 4.2421 4.2781 4.3409 4.3421 4.4608 4.4779 4.5828 4.6238 4.8398 4.8872 4.8909 4.9189 5.3969 5.4038 5.5592 5.5949 5.9237 5.9259 7.5866 7.6003 7.7933 7.8020 7.9689 7.9705 8.2708 8.2738 8.3575 8.3700 11.2771 11.2781 11.8439 11.8453 k = 0.3000 0.5000-0.0000 ( 5958 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8281 -31.8281 -31.8276 -31.8276 -7.1023 -7.1017 -6.6926 -6.6925 -6.5077 -6.5068 -6.3973 -6.3972 0.8099 0.8166 1.0017 1.0040 1.2178 1.2230 1.7715 1.7790 1.9545 1.9557 2.0008 2.0250 2.0597 2.0712 2.2846 2.2988 2.3983 2.3988 2.4182 2.4494 2.8634 2.8800 2.8872 2.8975 3.6191 3.6243 3.7734 3.7983 3.8539 3.8763 3.9467 3.9813 4.0508 4.0666 4.1165 4.1239 4.2340 4.2834 4.3372 4.3583 4.4746 4.4962 4.5842 4.6300 4.8224 4.8689 4.8753 4.9025 5.4095 5.4118 5.5434 5.5778 5.9552 5.9593 7.5941 7.6071 7.8130 7.8225 7.9554 7.9562 8.2881 8.2913 8.3661 8.3784 11.3072 11.3079 11.8321 11.8385 k = 0.3167 0.5000-0.0000 ( 5950 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8281 -31.8281 -31.8277 -31.8277 -7.0873 -7.0867 -6.6872 -6.6872 -6.5236 -6.5227 -6.4023 -6.4022 0.8262 0.8328 1.0024 1.0047 1.2059 1.2108 1.7878 1.7955 1.9479 1.9488 2.0014 2.0257 2.0604 2.0715 2.2672 2.2814 2.3997 2.4020 2.4240 2.4538 2.8410 2.8589 2.8648 2.8749 3.6216 3.6275 3.7778 3.8038 3.8541 3.8768 3.9533 3.9757 4.0550 4.0642 4.1125 4.1296 4.2278 4.2804 4.3433 4.3744 4.4876 4.5136 4.5859 4.6356 4.8048 4.8502 4.8599 4.8857 5.4180 5.4194 5.5286 5.5613 5.9879 5.9934 7.6008 7.6130 7.8330 7.8434 7.9426 7.9427 8.3053 8.3085 8.3741 8.3860 11.3363 11.3366 11.8021 11.8091 k = 0.3333 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -7.0721 -7.0715 -6.6819 -6.6819 -6.5396 -6.5386 -6.4072 -6.4071 0.8428 0.8493 1.0031 1.0052 1.1932 1.1977 1.8053 1.8130 1.9415 1.9422 2.0028 2.0268 2.0611 2.0717 2.2490 2.2631 2.3989 2.4033 2.4327 2.4601 2.8193 2.8384 2.8433 2.8529 3.6238 3.6303 3.7825 3.8092 3.8542 3.8767 3.9600 3.9705 4.0583 4.0585 4.1119 4.1359 4.2233 4.2720 4.3558 4.3903 4.5000 4.5300 4.5875 4.6402 4.7871 4.8313 4.8448 4.8688 5.4227 5.4270 5.5149 5.5454 6.0209 6.0272 7.6068 7.6180 7.8527 7.8641 7.9300 7.9313 8.3219 8.3250 8.3813 8.3928 11.3638 11.3639 11.7640 11.7701 k = 0.3500 0.5000-0.0000 ( 5962 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -7.0570 -7.0563 -6.6768 -6.6767 -6.5555 -6.5545 -6.4121 -6.4120 0.8599 0.8661 1.0037 1.0057 1.1796 1.1837 1.8238 1.8316 1.9355 1.9360 2.0048 2.0283 2.0620 2.0719 2.2302 2.2441 2.3973 2.4033 2.4426 2.4680 2.7986 2.8187 2.8229 2.8317 3.6259 3.6327 3.7874 3.8143 3.8541 3.8760 3.9658 3.9666 4.0498 4.0608 4.1143 4.1427 4.2201 4.2618 4.3715 4.4062 4.5119 4.5453 4.5891 4.6434 4.7693 4.8123 4.8301 4.8520 5.4263 5.4329 5.5026 5.5304 6.0533 6.0600 7.6120 7.6223 7.8708 7.8836 7.9194 7.9224 8.3377 8.3406 8.3878 8.3986 11.3893 11.3898 11.7236 11.7285 k = 0.3667 0.5000-0.0000 ( 5960 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -7.0420 -7.0413 -6.6718 -6.6718 -6.5711 -6.5702 -6.4167 -6.4166 0.8773 0.8832 1.0042 1.0062 1.1653 1.1689 1.8434 1.8511 1.9299 1.9303 2.0073 2.0298 2.0629 2.0720 2.2107 2.2244 2.3956 2.4025 2.4530 2.4767 2.7790 2.8000 2.8037 2.8116 3.6279 3.6348 3.7925 3.8191 3.8539 3.8749 3.9617 3.9731 4.0397 4.0618 4.1186 4.1500 4.2180 4.2515 4.3886 4.4219 4.5234 4.5594 4.5906 4.6446 4.7518 4.7937 4.8162 4.8358 5.4289 5.4374 5.4917 5.5163 6.0842 6.0910 7.6167 7.6259 7.8835 7.8962 7.9160 7.9193 8.3525 8.3551 8.3935 8.4036 11.4128 11.4136 11.6836 11.6874 k = 0.3833 0.5000-0.0000 ( 5956 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -7.0274 -7.0268 -6.6672 -6.6671 -6.5863 -6.5854 -6.4211 -6.4210 0.8950 0.9005 1.0048 1.0066 1.1503 1.1533 1.8637 1.8713 1.9248 1.9252 2.0103 2.0315 2.0638 2.0720 2.1907 2.2041 2.3942 2.4012 2.4636 2.4857 2.7609 2.7823 2.7859 2.7927 3.6298 3.6365 3.7977 3.8235 3.8535 3.8733 3.9585 3.9794 4.0292 4.0614 4.1242 4.1575 4.2168 4.2415 4.4067 4.4375 4.5347 4.5720 4.5920 4.6434 4.7348 4.7757 4.8033 4.8204 5.4308 5.4408 5.4824 5.5034 6.1132 6.1196 7.6208 7.6289 7.8857 7.8928 7.9268 7.9285 8.3661 8.3683 8.3985 8.4077 11.4340 11.4352 11.6457 11.6486 k = 0.4000 0.5000-0.0000 ( 5952 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -7.0136 -7.0130 -6.6629 -6.6628 -6.6006 -6.5998 -6.4252 -6.4251 0.9128 0.9179 1.0053 1.0069 1.1348 1.1372 1.8848 1.8919 1.9203 1.9209 2.0136 2.0331 2.0649 2.0719 2.1701 2.1832 2.3929 2.3997 2.4740 2.4946 2.7445 2.7661 2.7697 2.7751 3.6316 3.6379 3.8030 3.8275 3.8529 3.8714 3.9562 3.9854 4.0191 4.0596 4.1305 4.1649 4.2160 4.2322 4.4255 4.4531 4.5457 4.5811 4.5949 4.6393 4.7185 4.7587 4.7917 4.8063 5.4321 5.4432 5.4748 5.4917 6.1394 6.1454 7.6244 7.6314 7.8816 7.8856 7.9405 7.9445 8.3782 8.3800 8.4029 8.4109 11.4528 11.4541 11.6112 11.6133 k = 0.4167 0.5000-0.0000 ( 5956 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -7.0007 -7.0002 -6.6591 -6.6590 -6.6138 -6.6130 -6.4288 -6.4288 0.9309 0.9354 1.0057 1.0072 1.1188 1.1206 1.9057 1.9105 1.9171 1.9197 2.0169 2.0345 2.0659 2.0717 2.1492 2.1620 2.3919 2.3980 2.4841 2.5029 2.7303 2.7515 2.7553 2.7590 3.6333 3.6389 3.8084 3.8309 3.8523 3.8691 3.9548 3.9901 4.0105 4.0565 4.1374 4.1717 4.2155 4.2237 4.4447 4.4685 4.5564 4.5832 4.6022 4.6321 4.7033 4.7429 4.7817 4.7937 5.4329 5.4447 5.4689 5.4815 6.1626 6.1678 7.6275 7.6334 7.8764 7.8790 7.9548 7.9593 8.3888 8.3899 8.4067 8.4133 11.4691 11.4704 11.5808 11.5823 k = 0.4333 0.5000-0.0000 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -6.9893 -6.9888 -6.6560 -6.6558 -6.6254 -6.6247 -6.4320 -6.4319 0.9489 0.9529 1.0061 1.0074 1.1026 1.1036 1.9119 1.9120 1.9294 1.9365 2.0202 2.0356 2.0670 2.0713 2.1282 2.1408 2.3913 2.3964 2.4937 2.5101 2.7187 2.7387 2.7430 2.7449 3.6349 3.6397 3.8136 3.8336 3.8518 3.8666 3.9546 3.9903 4.0072 4.0523 4.1445 4.1773 4.2149 4.2165 4.4644 4.4838 4.5664 4.5803 4.6116 4.6222 4.6897 4.7283 4.7736 4.7832 5.4335 5.4453 5.4646 5.4730 6.1821 6.1865 7.6301 7.6349 7.8716 7.8734 7.9678 7.9720 8.3975 8.3978 8.4101 8.4150 11.4826 11.4839 11.5551 11.5561 k = 0.4500 0.5000-0.0000 ( 5944 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -6.9797 -6.9793 -6.6536 -6.6534 -6.6350 -6.6343 -6.4345 -6.4345 0.9666 0.9699 1.0066 1.0077 1.0862 1.0866 1.9096 1.9097 1.9508 1.9573 2.0233 2.0363 2.0680 2.0707 2.1074 2.1198 2.3909 2.3950 2.5024 2.5158 2.7100 2.7274 2.7329 2.7333 3.6363 3.6401 3.8187 3.8352 3.8517 3.8640 3.9555 3.9845 4.0106 4.0473 4.1517 4.1809 4.2110 4.2142 4.4842 4.4988 4.5740 4.5743 4.6118 4.6201 4.6787 4.7146 4.7676 4.7749 5.4341 5.4449 5.4618 5.4664 6.1978 6.2012 7.6323 7.6359 7.8678 7.8689 7.9786 7.9820 8.4037 8.4043 8.4133 8.4162 11.4932 11.4943 11.5346 11.5353 k = 0.4667 0.5000-0.0000 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8283 -31.8283 -31.8277 -31.8277 -6.9724 -6.9721 -6.6524 -6.6521 -6.6417 -6.6411 -6.4364 -6.4364 0.9836 0.9860 1.0071 1.0082 1.0701 1.0703 1.9079 1.9079 1.9716 1.9768 2.0261 2.0366 2.0686 2.0695 2.0884 2.1002 2.3909 2.3937 2.5099 2.5195 2.7047 2.7177 2.7251 2.7254 3.6376 3.6402 3.8234 3.8353 3.8524 3.8613 3.9576 3.9775 4.0163 4.0417 4.1588 4.1811 4.2083 4.2132 4.5039 4.5134 4.5659 4.5736 4.6069 4.6254 4.6722 4.7018 4.7638 4.7688 5.4349 5.4433 5.4600 5.4622 6.2094 6.2117 7.6340 7.6364 7.8651 7.8658 7.9868 7.9892 8.4076 8.4088 8.4160 8.4172 11.5008 11.5017 11.5199 11.5202 k = 0.4833 0.5000-0.0000 ( 5928 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8277 -31.8277 -6.9677 -6.9676 -6.6525 -6.6524 -6.6449 -6.6446 -6.4375 -6.4375 0.9976 0.9985 1.0084 1.0097 1.0556 1.0562 1.9068 1.9068 1.9892 1.9923 2.0288 2.0359 2.0662 2.0669 2.0765 2.0844 2.3912 2.3926 2.5157 2.5207 2.7030 2.7099 2.7204 2.7207 3.6387 3.6400 3.8277 3.8339 3.8539 3.8586 3.9609 3.9709 4.0227 4.0356 4.1658 4.1778 4.2084 4.2117 4.5229 4.5270 4.5560 4.5624 4.6113 4.6246 4.6727 4.6899 4.7621 4.7646 5.4364 5.4409 5.4592 5.4600 6.2166 6.2178 7.6353 7.6365 7.8635 7.8638 7.9921 7.9934 8.4100 8.4110 8.4179 8.4181 11.5051 11.5057 11.5115 11.5115 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8277 -31.8277 -6.9661 -6.9661 -6.6529 -6.6529 -6.6454 -6.6454 -6.4379 -6.4379 1.0026 1.0026 1.0116 1.0116 1.0490 1.0490 1.9064 1.9064 1.9980 1.9980 2.0327 2.0327 2.0633 2.0633 2.0767 2.0767 2.3918 2.3918 2.5194 2.5194 2.7049 2.7049 2.7190 2.7190 3.6395 3.6395 3.8313 3.8313 3.8561 3.8561 3.9654 3.9654 4.0292 4.0292 4.1723 4.1723 4.2100 4.2100 4.5356 4.5356 4.5500 4.5500 4.6188 4.6188 4.6796 4.6796 4.7624 4.7624 5.4384 5.4384 5.4591 5.4591 6.2195 6.2195 7.6361 7.6361 7.8631 7.8631 7.9943 7.9943 8.4112 8.4112 8.4186 8.4186 11.5057 11.5057 11.5096 11.5096 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8277 -31.8277 -6.9661 -6.9661 -6.6529 -6.6529 -6.6454 -6.6454 -6.4379 -6.4379 1.0026 1.0026 1.0116 1.0116 1.0490 1.0490 1.9064 1.9064 1.9980 1.9980 2.0327 2.0327 2.0633 2.0633 2.0767 2.0767 2.3918 2.3918 2.5194 2.5194 2.7049 2.7049 2.7190 2.7190 3.6395 3.6395 3.8313 3.8313 3.8561 3.8561 3.9654 3.9654 4.0292 4.0292 4.1723 4.1723 4.2100 4.2100 4.5356 4.5356 4.5500 4.5500 4.6188 4.6188 4.6796 4.6796 4.7624 4.7624 5.4384 5.4384 5.4591 5.4591 6.2195 6.2195 7.6361 7.6361 7.8631 7.8631 7.9943 7.9943 8.4112 8.4112 8.4186 8.4186 11.5057 11.5057 11.5096 11.5096 k = 0.4881 0.4881-0.0000 ( 5920 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8277 -31.8277 -6.9678 -6.9676 -6.6523 -6.6522 -6.6450 -6.6447 -6.4375 -6.4375 0.9982 0.9986 1.0078 1.0092 1.0558 1.0565 1.9068 1.9068 1.9892 1.9921 2.0280 2.0367 2.0664 2.0670 2.0779 2.0831 2.3912 2.3926 2.5157 2.5207 2.7031 2.7097 2.7204 2.7210 3.6387 3.6400 3.8276 3.8340 3.8539 3.8587 3.9608 3.9710 4.0227 4.0356 4.1657 4.1779 4.2082 4.2119 4.5239 4.5255 4.5569 4.5620 4.6111 4.6247 4.6727 4.6900 4.7621 4.7647 5.4363 5.4410 5.4593 5.4599 6.2166 6.2177 7.6353 7.6365 7.8635 7.8638 7.9921 7.9934 8.4097 8.4111 8.4179 8.4182 11.5029 11.5033 11.5136 11.5140 k = 0.4762 0.4762-0.0000 ( 5952 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8283 -31.8283 -31.8277 -31.8277 -6.9725 -6.9723 -6.6507 -6.6504 -6.6433 -6.6427 -6.4364 -6.4363 0.9855 0.9872 1.0042 1.0051 1.0713 1.0717 1.9077 1.9080 1.9714 1.9761 2.0224 2.0381 2.0705 2.0753 2.0899 2.0938 2.3908 2.3937 2.5102 2.5195 2.7044 2.7148 2.7252 2.7285 3.6375 3.6402 3.8231 3.8358 3.8520 3.8613 3.9574 3.9777 4.0165 4.0415 4.1583 4.1819 4.2062 4.2148 4.5051 4.5107 4.5684 4.5727 4.6062 4.6252 4.6723 4.7022 4.7637 4.7687 5.4347 5.4439 5.4603 5.4615 6.2092 6.2115 7.6340 7.6364 7.8651 7.8658 7.9867 7.9891 8.4055 8.4090 8.4168 8.4182 11.4907 11.4913 11.5302 11.5310 k = 0.4643 0.4643-0.0000 ( 5952 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -6.9802 -6.9799 -6.6481 -6.6478 -6.6402 -6.6393 -6.4344 -6.4344 0.9704 0.9730 0.9998 1.0005 1.0898 1.0900 1.9086 1.9099 1.9499 1.9566 2.0165 2.0364 2.0764 2.0846 2.1055 2.1077 2.3908 2.3952 2.5042 2.5165 2.7077 2.7191 2.7341 2.7418 3.6363 3.6401 3.8181 3.8370 3.8504 3.8639 3.9550 3.9848 4.0114 4.0467 4.1503 4.1837 4.2038 4.2197 4.4854 4.4951 4.5732 4.5787 4.6099 4.6197 4.6795 4.7159 4.7672 4.7746 5.4338 5.4472 5.4625 5.4638 6.1975 6.2009 7.6322 7.6359 7.8679 7.8690 7.9784 7.9819 8.3980 8.4033 8.4168 8.4191 11.4705 11.4713 11.5581 11.5591 k = 0.4524 0.4524-0.0000 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -6.9906 -6.9901 -6.6448 -6.6444 -6.6358 -6.6346 -6.4318 -6.4317 0.9546 0.9578 0.9940 0.9946 1.1097 1.1103 1.9070 1.9113 1.9278 1.9383 2.0108 2.0330 2.0847 2.0935 2.1212 2.1226 2.3910 2.3971 2.4988 2.5127 2.7118 2.7236 2.7474 2.7587 3.6349 3.6398 3.8128 3.8377 3.8490 3.8662 3.9534 3.9903 4.0096 4.0508 4.1418 4.1829 4.2011 4.2269 4.4654 4.4791 4.5656 4.5864 4.6114 4.6194 4.6916 4.7310 4.7725 4.7821 5.4333 5.4506 5.4656 5.4669 6.1817 6.1862 7.6301 7.6349 7.8716 7.8733 7.9676 7.9718 8.3876 8.3944 8.4178 8.4206 11.4434 11.4443 11.5963 11.5973 k = 0.4405 0.4405-0.0000 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -7.0033 -7.0028 -6.6410 -6.6405 -6.6301 -6.6286 -6.4286 -6.4285 0.9387 0.9424 0.9866 0.9871 1.1308 1.1320 1.8950 1.8981 1.9203 1.9301 2.0056 2.0290 2.0944 2.1024 2.1358 2.1367 2.3916 2.3993 2.4948 2.5094 2.7165 2.7288 2.7641 2.7780 3.6334 3.6391 3.8073 3.8380 3.8476 3.8680 3.9526 3.9908 4.0141 4.0537 4.1328 4.1798 4.1982 4.2363 4.4455 4.4629 4.5554 4.5878 4.6061 4.6291 4.7064 4.7473 4.7796 4.7909 5.4334 5.4544 5.4694 5.4706 6.1623 6.1676 7.6276 7.6336 7.8762 7.8787 7.9548 7.9594 8.3745 8.3828 8.4193 8.4224 11.4100 11.4111 11.6438 11.6447 k = 0.4286 0.4286-0.0000 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -7.0181 -7.0175 -6.6365 -6.6359 -6.6233 -6.6217 -6.4248 -6.4247 0.9226 0.9268 0.9777 0.9782 1.1531 1.1549 1.8734 1.8735 1.9246 1.9317 2.0008 2.0248 2.1051 2.1114 2.1486 2.1493 2.3924 2.4021 2.4932 2.5075 2.7218 2.7347 2.7834 2.7990 3.6318 3.6382 3.8017 3.8382 3.8462 3.8695 3.9523 3.9881 4.0227 4.0553 4.1235 4.1749 4.1954 4.2475 4.4261 4.4467 4.5444 4.5796 4.6080 4.6373 4.7231 4.7647 4.7883 4.8009 5.4338 5.4586 5.4737 5.4748 6.1396 6.1458 7.6247 7.6318 7.8811 7.8851 7.9408 7.9450 8.3593 8.3690 8.4209 8.4244 11.3713 11.3725 11.6995 11.6998 k = 0.4167 0.4167-0.0000 ( 5958 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -7.0346 -7.0340 -6.6315 -6.6307 -6.6158 -6.6141 -6.4205 -6.4204 0.9064 0.9109 0.9672 0.9677 1.1764 1.1788 1.8474 1.8485 1.9307 1.9368 1.9964 2.0208 2.1165 2.1206 2.1594 2.1596 2.3937 2.4052 2.4946 2.5079 2.7278 2.7415 2.8045 2.8211 3.6303 3.6369 3.7962 3.8381 3.8447 3.8704 3.9526 3.9849 4.0321 4.0557 4.1139 4.1684 4.1931 4.2598 4.4073 4.4305 4.5332 4.5677 4.6118 4.6433 4.7411 4.7827 4.7989 4.8119 5.4345 5.4633 5.4780 5.4795 6.1142 6.1210 7.6215 7.6297 7.8850 7.8918 7.9274 7.9295 8.3423 8.3532 8.4225 8.4262 11.3278 11.3291 11.7609 11.7616 k = 0.4048 0.4048-0.0000 ( 5958 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -7.0526 -7.0520 -6.6258 -6.6249 -6.6077 -6.6058 -6.4160 -6.4158 0.8899 0.8947 0.9551 0.9557 1.2008 1.2037 1.8209 1.8224 1.9381 1.9436 1.9926 2.0170 2.1286 2.1302 2.1677 2.1679 2.3954 2.4089 2.4994 2.5111 2.7345 2.7490 2.8270 2.8439 3.6289 3.6355 3.7908 3.8380 3.8430 3.8710 3.9532 3.9819 4.0406 4.0551 4.1042 4.1605 4.1920 4.2727 4.3900 4.4146 4.5221 4.5547 4.6151 4.6474 4.7599 4.7995 4.8128 4.8237 5.4350 5.4687 5.4820 5.4847 6.0868 6.0940 7.6181 7.6273 7.8835 7.8962 7.9160 7.9191 8.3238 8.3359 8.4240 8.4279 11.2802 11.2814 11.8259 11.8279 k = 0.3929 0.3929-0.0000 ( 5962 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8282 -31.8282 -31.8277 -31.8277 -7.0718 -7.0712 -6.6195 -6.6185 -6.5991 -6.5972 -6.4111 -6.4109 0.8730 0.8781 0.9416 0.9423 1.2261 1.2296 1.7940 1.7957 1.9465 1.9515 1.9893 2.0134 2.1401 2.1412 2.1737 2.1742 2.3976 2.4131 2.5077 2.5174 2.7420 2.7572 2.8503 2.8673 3.6276 3.6339 3.7854 3.8378 3.8412 3.8712 3.9542 3.9794 4.0468 4.0536 4.0946 4.1514 4.1929 4.2845 4.3753 4.3989 4.5110 4.5412 4.6178 4.6498 4.7793 4.8133 4.8312 4.8364 5.4352 5.4746 5.4854 5.4903 6.0579 6.0655 7.6145 7.6247 7.8725 7.8868 7.9161 7.9202 8.3042 8.3174 8.4251 8.4293 11.2289 11.2302 11.8921 11.8958 k = 0.3810 0.3810-0.0000 ( 5966 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8281 -31.8281 -31.8277 -31.8277 -7.0920 -7.0914 -6.6126 -6.6114 -6.5901 -6.5882 -6.4061 -6.4058 0.8557 0.8610 0.9267 0.9274 1.2524 1.2563 1.7669 1.7687 1.9559 1.9599 1.9866 2.0101 2.1501 2.1541 2.1779 2.1788 2.4002 2.4178 2.5195 2.5269 2.7501 2.7661 2.8742 2.8910 3.6264 3.6320 3.7799 3.8377 3.8393 3.8713 3.9554 3.9773 4.0497 4.0516 4.0854 4.1411 4.1964 4.2924 4.3658 4.3836 4.5002 4.5275 4.6199 4.6506 4.7984 4.8256 4.8501 4.8524 5.4344 5.4802 5.4886 5.4964 6.0285 6.0362 7.6107 7.6219 7.8561 7.8691 7.9246 7.9270 8.2840 8.2981 8.4259 8.4302 11.1745 11.1756 11.9558 11.9615 k = 0.3690 0.3690-0.0000 ( 5968 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8281 -31.8281 -31.8277 -31.8277 -7.1129 -7.1124 -6.6051 -6.6038 -6.5809 -6.5789 -6.4010 -6.4007 0.8379 0.8433 0.9105 0.9112 1.2794 1.2838 1.7397 1.7414 1.9661 1.9679 1.9852 2.0068 2.1601 2.1668 2.1814 2.1826 2.4034 2.4229 2.5344 2.5396 2.7589 2.7756 2.8984 2.9149 3.6255 3.6300 3.7745 3.8372 3.8375 3.8711 3.9567 3.9757 4.0488 4.0492 4.0766 4.1297 4.2027 4.2925 4.3655 4.3690 4.4896 4.5136 4.6216 4.6503 4.8168 4.8374 4.8655 4.8749 5.4321 5.4827 5.4940 5.5032 5.9993 6.0068 7.6069 7.6189 7.8376 7.8498 7.9349 7.9361 8.2636 8.2784 8.4261 8.4305 11.1171 11.1180 12.0123 12.0201 k = 0.3571 0.3571-0.0000 ( 5960 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8281 -31.8281 -31.8277 -31.8277 -7.1345 -7.1340 -6.5970 -6.5956 -6.5714 -6.5694 -6.3960 -6.3956 0.8196 0.8251 0.8929 0.8938 1.3072 1.3120 1.7125 1.7141 1.9728 1.9768 1.9877 2.0038 2.1688 2.1763 2.1859 2.1891 2.4071 2.4286 2.5523 2.5551 2.7684 2.7857 2.9228 2.9387 3.6248 3.6277 3.7690 3.8350 3.8372 3.8710 3.9581 3.9745 4.0440 4.0467 4.0685 4.1175 4.2114 4.2844 4.3555 4.3744 4.4791 4.4996 4.6230 4.6491 4.8334 4.8488 4.8832 4.8984 5.4276 5.4807 5.5023 5.5107 5.9711 5.9783 7.6032 7.6159 7.8186 7.8301 7.9459 7.9460 8.2435 8.2586 8.4257 8.4302 11.0570 11.0577 12.0257 12.0354 k = 0.3452 0.3452-0.0000 ( 5960 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8281 -31.8281 -31.8276 -31.8276 -7.1566 -7.1561 -6.5884 -6.5869 -6.5618 -6.5597 -6.3910 -6.3906 0.8008 0.8062 0.8742 0.8752 1.3356 1.3408 1.6854 1.6868 1.9730 1.9876 1.9949 2.0008 2.1748 2.1803 2.1937 2.2015 2.4112 2.4346 2.5725 2.5732 2.7784 2.7962 2.9471 2.9624 3.6243 3.6253 3.7635 3.8327 3.8369 3.8710 3.9594 3.9736 4.0361 4.0441 4.0609 4.1046 4.2213 4.2719 4.3437 4.3885 4.4686 4.4856 4.6243 4.6473 4.8478 4.8597 4.9033 4.9225 5.4204 5.4750 5.5121 5.5191 5.9447 5.9515 7.5995 7.6129 7.7994 7.8104 7.9561 7.9570 8.2240 8.2394 8.4247 8.4292 10.9945 10.9950 11.9780 11.9881 k = 0.3333 0.3333-0.0000 ( 5960 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8276 -31.8276 -7.1789 -7.1785 -6.5793 -6.5777 -6.5520 -6.5499 -6.3862 -6.3858 0.7814 0.7868 0.8544 0.8554 1.3645 1.3700 1.6585 1.6596 1.9714 1.9976 1.9983 2.0034 2.1789 2.1828 2.2048 2.2164 2.4159 2.4411 2.5935 2.5949 2.7891 2.8073 2.9712 2.9859 3.6227 3.6238 3.7581 3.8304 3.8365 3.8711 3.9603 3.9727 4.0255 4.0414 4.0541 4.0914 4.2303 4.2575 4.3351 4.4043 4.4580 4.4721 4.6258 4.6454 4.8599 4.8701 4.9260 4.9474 5.4098 5.4656 5.5231 5.5284 5.9208 5.9271 7.5961 7.6100 7.7804 7.7909 7.9660 7.9680 8.2058 8.2210 8.4228 8.4274 10.9298 10.9299 11.9306 11.9407 k = 0.3214 0.3214-0.0000 ( 5960 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8276 -31.8276 -7.2014 -7.2010 -6.5697 -6.5681 -6.5420 -6.5399 -6.3817 -6.3812 0.7615 0.7668 0.8336 0.8347 1.3937 1.3994 1.6318 1.6326 1.9692 1.9951 2.0074 2.0114 2.1835 2.1863 2.2177 2.2323 2.4211 2.4478 2.6158 2.6191 2.8003 2.8189 2.9951 3.0089 3.6198 3.6232 3.7529 3.8281 3.8359 3.8716 3.9606 3.9719 4.0127 4.0386 4.0485 4.0786 4.2359 4.2426 4.3315 4.4188 4.4472 4.4609 4.6276 4.6435 4.8703 4.8799 4.9506 4.9730 5.3955 5.4522 5.5349 5.5387 5.8997 5.9056 7.5929 7.6072 7.7617 7.7718 7.9751 7.9784 8.1895 8.2040 8.4202 8.4248 10.8626 10.8629 11.8842 11.8940 k = 0.3095 0.3095-0.0000 ( 5954 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8276 -31.8276 -7.2240 -7.2236 -6.5597 -6.5580 -6.5319 -6.5299 -6.3773 -6.3768 0.7411 0.7462 0.8119 0.8131 1.4231 1.4290 1.6055 1.6059 1.9669 1.9923 2.0152 2.0180 2.1899 2.1917 2.2318 2.2489 2.4267 2.4549 2.6398 2.6448 2.8120 2.8309 3.0184 3.0315 3.6166 3.6224 3.7482 3.8257 3.8350 3.8726 3.9598 3.9709 3.9981 4.0351 4.0442 4.0671 4.2278 4.2361 4.3345 4.4238 4.4360 4.4592 4.6298 4.6420 4.8792 4.8889 4.9770 4.9994 5.3776 5.4348 5.5475 5.5498 5.8819 5.8873 7.5900 7.6046 7.7435 7.7532 7.9828 7.9876 8.1757 8.1891 8.4167 8.4213 10.7934 10.7940 11.8391 11.8484 k = 0.2976 0.2976-0.0000 ( 5944 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8276 -31.8276 -7.2465 -7.2462 -6.5494 -6.5476 -6.5218 -6.5197 -6.3733 -6.3727 0.7203 0.7253 0.7894 0.7906 1.4525 1.4581 1.5797 1.5801 1.9645 1.9894 2.0208 2.0225 2.1989 2.1998 2.2467 2.2661 2.4327 2.4622 2.6653 2.6718 2.8242 2.8434 3.0413 3.0535 3.6131 3.6211 3.7443 3.8233 3.8339 3.8742 3.9572 3.9697 3.9822 4.0305 4.0415 4.0585 4.2133 4.2307 4.3437 4.4149 4.4244 4.4712 4.6326 4.6411 4.8871 4.8973 5.0046 5.0264 5.3563 5.4135 5.5607 5.5617 5.8671 5.8723 7.5875 7.6021 7.7260 7.7351 7.9883 7.9950 8.1653 8.1769 8.4125 8.4170 10.7223 10.7233 11.7957 11.8044 k = 0.2857 0.2857-0.0000 ( 5944 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8279 -31.8279 -31.8276 -31.8276 -7.2689 -7.2686 -6.5388 -6.5370 -6.5116 -6.5096 -6.3695 -6.3690 0.6991 0.7039 0.7662 0.7676 1.4810 1.4856 1.5548 1.5566 1.9620 1.9865 2.0240 2.0247 2.2107 2.2110 2.2624 2.2838 2.4391 2.4697 2.6920 2.6999 2.8370 2.8563 3.0635 3.0749 3.6092 3.6190 3.7415 3.8206 3.8325 3.8765 3.9518 3.9642 3.9690 4.0252 4.0402 4.0531 4.1993 4.2217 4.3567 4.4009 4.4129 4.4879 4.6361 4.6410 4.8941 4.9050 5.0334 5.0542 5.3319 5.3889 5.5741 5.5743 5.8551 5.8602 7.5854 7.5999 7.7091 7.7177 7.9911 8.0000 8.1588 8.1682 8.4073 8.4118 10.6494 10.6508 11.7542 11.7622 k = 0.2738 0.2738-0.0000 ( 5934 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8279 -31.8279 -31.8276 -31.8276 -7.2910 -7.2908 -6.5279 -6.5260 -6.5014 -6.4994 -6.3661 -6.3655 0.6777 0.6824 0.7425 0.7439 1.5036 1.5040 1.5357 1.5429 1.9595 1.9836 2.0249 2.0249 2.2251 2.2252 2.2788 2.3018 2.4458 2.4772 2.7199 2.7289 2.8503 2.8696 3.0849 3.0955 3.6049 3.6157 3.7402 3.8177 3.8308 3.8795 3.9432 3.9464 3.9672 4.0207 4.0402 4.0504 4.1862 4.2106 4.3695 4.3853 4.4035 4.5054 4.6404 4.6418 4.9004 4.9120 5.0632 5.0827 5.3051 5.3614 5.5869 5.5881 5.8455 5.8505 7.5837 7.5980 7.6929 7.7011 7.9911 8.0021 8.1565 8.1635 8.4014 8.4058 10.5750 10.5767 11.7148 11.7221 k = 0.2619 0.2619-0.0000 ( 5938 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8279 -31.8279 -31.8276 -31.8276 -7.3128 -7.3126 -6.5168 -6.5149 -6.4912 -6.4892 -6.3630 -6.3624 0.6562 0.6606 0.7184 0.7199 1.4930 1.4958 1.5480 1.5579 1.9568 1.9805 2.0233 2.0236 2.2417 2.2420 2.2957 2.3202 2.4527 2.4848 2.7486 2.7587 2.8641 2.8834 3.1054 3.1152 3.6000 3.6110 3.7406 3.8143 3.8287 3.8832 3.9277 3.9315 3.9657 4.0178 4.0415 4.0491 4.1739 4.1985 4.3691 4.3721 4.4052 4.5228 4.6437 4.6457 4.9061 4.9183 5.0940 5.1118 5.2766 5.3319 5.5998 5.6019 5.8378 5.8429 7.5823 7.5962 7.6775 7.6851 7.9886 8.0014 8.1580 8.1628 8.3948 8.3991 10.4992 10.5011 11.6777 11.6842 k = 0.2500 0.2500-0.0000 ( 5942 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8278 -31.8278 -31.8276 -31.8276 -7.3342 -7.3340 -6.5056 -6.5037 -6.4810 -6.4790 -6.3603 -6.3597 0.6347 0.6389 0.6940 0.6956 1.4713 1.4732 1.5748 1.5841 1.9542 1.9775 2.0202 2.0208 2.2604 2.2605 2.3132 2.3387 2.4599 2.4924 2.7781 2.7890 2.8785 2.8977 3.1250 3.1339 3.5946 3.6050 3.7428 3.8100 3.8261 3.8873 3.9090 3.9179 3.9643 4.0165 4.0437 4.0486 4.1628 4.1860 4.3525 4.3618 4.4200 4.5398 4.6467 4.6519 4.9114 4.9240 5.1256 5.1413 5.2474 5.3009 5.6127 5.6157 5.8315 5.8365 7.5813 7.5946 7.6629 7.6700 7.9845 7.9984 8.1626 8.1656 8.3874 8.3916 10.4220 10.4242 11.6430 11.6486 k = 0.2381 0.2381-0.0000 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8278 -31.8278 -31.8276 -31.8276 -7.3550 -7.3549 -6.4943 -6.4925 -6.4709 -6.4690 -6.3578 -6.3572 0.6133 0.6172 0.6696 0.6711 1.4482 1.4496 1.6027 1.6118 1.9515 1.9744 2.0161 2.0167 2.2804 2.2805 2.3310 2.3574 2.4673 2.4999 2.8082 2.8198 2.8935 2.9124 3.1435 3.1517 3.5886 3.5976 3.7469 3.8042 3.8225 3.8861 3.8968 3.9037 3.9632 4.0163 4.0469 4.0484 4.1532 4.1736 4.3358 4.3477 4.4387 4.5563 4.6509 4.6592 4.9162 4.9291 5.1580 5.1693 5.2198 5.2693 5.6253 5.6290 5.8262 5.8311 7.5806 7.5931 7.6491 7.6557 7.9798 7.9940 8.1694 8.1711 8.3795 8.3835 10.3437 10.3461 11.6108 11.6156 k = 0.2262 0.2262-0.0000 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8278 -31.8278 -31.8275 -31.8275 -7.3753 -7.3752 -6.4831 -6.4812 -6.4609 -6.4590 -6.3557 -6.3551 0.5920 0.5957 0.6451 0.6467 1.4251 1.4262 1.6305 1.6394 1.9488 1.9712 2.0113 2.0117 2.3011 2.3017 2.3491 2.3760 2.4748 2.5072 2.8387 2.8509 2.9092 2.9277 3.1610 3.1684 3.5820 3.5889 3.7525 3.7963 3.8168 3.8708 3.8903 3.9008 3.9622 4.0163 4.0484 4.0506 4.1453 4.1613 4.3190 4.3323 4.4587 4.5720 4.6561 4.6675 4.9207 4.9336 5.1752 5.1899 5.2148 5.2384 5.6374 5.6419 5.8215 5.8262 7.5800 7.5915 7.6361 7.6422 7.9753 7.9893 8.1776 8.1784 8.3710 8.3749 10.2643 10.2669 11.5812 11.5851 k = 0.2143 0.2143-0.0000 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8277 -31.8277 -31.8275 -31.8275 -7.3950 -7.3948 -6.4718 -6.4700 -6.4511 -6.4493 -6.3539 -6.3532 0.5711 0.5746 0.6207 0.6223 1.4025 1.4034 1.6576 1.6664 1.9461 1.9681 2.0060 2.0061 2.3223 2.3234 2.3674 2.3945 2.4824 2.5144 2.8695 2.8821 2.9256 2.9435 3.1773 3.1840 3.5748 3.5793 3.7590 3.7858 3.8072 3.8572 3.8789 3.9072 3.9616 4.0159 4.0488 4.0549 4.1394 4.1494 4.3023 4.3163 4.4793 4.5870 4.6623 4.6768 4.9251 4.9377 5.1496 5.1988 5.2313 5.2423 5.6489 5.6540 5.8169 5.8213 7.5794 7.5898 7.6239 7.6296 7.9720 7.9853 8.1864 8.1866 8.3621 8.3658 10.1841 10.1867 11.5542 11.5572 k = 0.2024 0.2024-0.0000 ( 5924 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8277 -31.8277 -31.8275 -31.8275 -7.4139 -7.4138 -6.4607 -6.4589 -6.4414 -6.4397 -6.3523 -6.3517 0.5507 0.5539 0.5967 0.5983 1.3806 1.3813 1.6840 1.6927 1.9435 1.9649 2.0002 2.0005 2.3435 2.3453 2.3857 2.4126 2.4900 2.5213 2.9003 2.9132 2.9429 2.9599 3.1924 3.1985 3.5669 3.5688 3.7632 3.7752 3.7923 3.8483 3.8705 3.9142 3.9614 4.0143 4.0499 4.0595 4.1355 4.1381 4.2858 4.3001 4.5004 4.6014 4.6695 4.6871 4.9291 4.9411 5.1207 5.1698 5.2631 5.2745 5.6595 5.6652 5.8124 5.8164 7.5787 7.5878 7.6126 7.6178 7.9705 7.9827 8.1951 8.1954 8.3529 8.3564 10.1032 10.1058 11.5297 11.5319 k = 0.1905 0.1905-0.0000 ( 5928 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8277 -31.8277 -31.8275 -31.8275 -7.4320 -7.4319 -6.4498 -6.4480 -6.4320 -6.4303 -6.3510 -6.3504 0.5308 0.5337 0.5730 0.5747 1.3594 1.3600 1.7095 1.7180 1.9409 1.9617 1.9942 1.9948 2.3645 2.3671 2.4039 2.4303 2.4976 2.5280 2.9308 2.9442 2.9611 2.9768 3.2064 3.2118 3.5577 3.5585 3.7507 3.7730 3.7785 3.8431 3.8651 3.9215 3.9617 4.0111 4.0519 4.0643 4.1274 4.1336 4.2696 4.2840 4.5220 4.6153 4.6775 4.6983 4.9329 4.9439 5.0923 5.1391 5.2978 5.3078 5.6691 5.6753 5.8076 5.8111 7.5777 7.5853 7.6021 7.6068 7.9714 7.9822 8.2036 8.2041 8.3435 8.3468 10.0218 10.0244 11.5080 11.5094 k = 0.1786 0.1786-0.0000 ( 5934 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8277 -31.8277 -31.8275 -31.8275 -7.4494 -7.4493 -6.4392 -6.4374 -6.4229 -6.4213 -6.3500 -6.3494 0.5115 0.5142 0.5500 0.5516 1.3390 1.3395 1.7339 1.7422 1.9383 1.9585 1.9882 1.9892 2.3851 2.3884 2.4220 2.4474 2.5052 2.5343 2.9604 2.9748 2.9809 2.9944 3.2191 3.2239 3.5461 3.5494 3.7310 3.7510 3.7869 3.8402 3.8622 3.9288 3.9626 4.0063 4.0549 4.0690 4.1177 4.1334 4.2538 4.2680 4.5439 4.6287 4.6862 4.7102 4.9363 4.9458 5.0651 5.1090 5.3331 5.3417 5.6775 5.6842 5.8026 5.8055 7.5762 7.5822 7.5925 7.5966 7.9749 7.9843 8.2116 8.2122 8.3341 8.3372 9.9402 9.9426 11.4888 11.4895 k = 0.1667 0.1667-0.0000 ( 5928 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8276 -31.8276 -31.8275 -31.8275 -7.4658 -7.4657 -6.4288 -6.4272 -6.4141 -6.4126 -6.3491 -6.3485 0.4930 0.4955 0.5277 0.5292 1.3196 1.3200 1.7572 1.7653 1.9358 1.9554 1.9823 1.9837 2.4049 2.4091 2.4398 2.4637 2.5127 2.5403 2.9878 3.0033 3.0048 3.0126 3.2308 3.2349 3.5343 3.5400 3.7089 3.7274 3.7955 3.8385 3.8616 3.9356 3.9642 4.0005 4.0587 4.0734 4.1092 4.1346 4.2385 4.2526 4.5661 4.6417 4.6955 4.7226 4.9392 4.9464 5.0402 5.0803 5.3687 5.3758 5.6846 5.6917 5.7973 5.7996 7.5741 7.5785 7.5839 7.5873 7.9815 7.9892 8.2189 8.2196 8.3247 8.3276 9.8585 9.8608 11.4723 11.4723 k = 0.1548 0.1548-0.0000 ( 5928 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8276 -31.8276 -31.8275 -31.8275 -7.4813 -7.4813 -6.4188 -6.4173 -6.4057 -6.4042 -6.3484 -6.3479 0.4754 0.4776 0.5062 0.5077 1.3011 1.3014 1.7792 1.7870 1.9334 1.9522 1.9766 1.9784 2.4239 2.4289 2.4572 2.4792 2.5203 2.5460 3.0120 3.0293 3.0312 3.0346 3.2413 3.2449 3.5221 3.5299 3.6854 3.7029 3.8036 3.8375 3.8630 3.9415 3.9666 3.9939 4.0631 4.0771 4.1024 4.1368 4.2237 4.2378 4.5885 4.6545 4.7053 4.7355 4.9414 4.9448 5.0185 5.0535 5.4040 5.4099 5.6903 5.6977 5.7917 5.7933 7.5714 7.5733 7.5769 7.5788 7.9911 7.9974 8.2253 8.2261 8.3156 8.3182 9.7770 9.7791 11.4576 11.4582 k = 0.1429 0.1429-0.0000 ( 5928 PWs) bands (ev): -58.2073 -58.2073 -32.6508 -32.6508 -31.8276 -31.8276 -31.8275 -31.8275 -7.4959 -7.4958 -6.4093 -6.4079 -6.3977 -6.3963 -6.3480 -6.3474 0.4587 0.4607 0.4857 0.4872 1.2837 1.2840 1.7999 1.8074 1.9311 1.9490 1.9713 1.9734 2.4418 2.4475 2.4740 2.4938 2.5278 2.5513 3.0344 3.0509 3.0572 3.0631 3.2507 3.2538 3.5098 3.5195 3.6608 3.6776 3.8108 3.8368 3.8662 3.9462 3.9696 3.9870 4.0678 4.0792 4.0982 4.1399 4.2094 4.2239 4.6110 4.6669 4.7155 4.7487 4.9394 4.9420 5.0019 5.0293 5.4389 5.4436 5.6945 5.7022 5.7859 5.7868 7.5668 7.5678 7.5713 7.5715 8.0040 8.0088 8.2308 8.2315 8.3067 8.3092 9.6961 9.6980 11.4456 11.4467 k = 0.1310 0.1310-0.0000 ( 5938 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8276 -31.8276 -31.8275 -31.8275 -7.5094 -7.5094 -6.4003 -6.3990 -6.3901 -6.3888 -6.3476 -6.3471 0.4430 0.4448 0.4663 0.4677 1.2675 1.2676 1.8192 1.8262 1.9290 1.9459 1.9664 1.9687 2.4585 2.4648 2.4901 2.5073 2.5353 2.5562 3.0568 3.0710 3.0852 3.0908 3.2591 3.2617 3.4973 3.5085 3.6355 3.6518 3.8168 3.8363 3.8711 3.9497 3.9729 3.9802 4.0726 4.0791 4.0971 4.1434 4.1958 4.2110 4.6333 4.6791 4.7259 4.7618 4.9291 4.9400 4.9917 5.0092 5.4730 5.4766 5.6972 5.7049 5.7800 5.7804 7.5603 7.5629 7.5654 7.5665 8.0200 8.0235 8.2352 8.2358 8.2984 8.3006 9.6162 9.6178 11.4359 11.4375 k = 0.1190 0.1190-0.0000 ( 5932 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8275 -31.8275 -31.8275 -31.8275 -7.5219 -7.5219 -6.3919 -6.3907 -6.3830 -6.3818 -6.3473 -6.3468 0.4284 0.4301 0.4482 0.4495 1.2524 1.2525 1.8370 1.8436 1.9269 1.9427 1.9621 1.9645 2.4739 2.4806 2.5055 2.5197 2.5428 2.5608 3.0796 3.0919 3.1127 3.1175 3.2665 3.2687 3.4848 3.4973 3.6097 3.6256 3.8216 3.8359 3.8775 3.9524 3.9738 3.9758 4.0773 4.0779 4.0982 4.1471 4.1829 4.1997 4.6551 4.6909 4.7365 4.7749 4.9151 4.9335 4.9869 4.9952 5.5059 5.5085 5.6983 5.7059 5.7742 5.7744 7.5545 7.5570 7.5607 7.5613 8.0389 8.0414 8.2386 8.2391 8.2906 8.2926 9.5377 9.5390 11.4285 11.4305 k = 0.1071 0.1071-0.0000 ( 5924 PWs) bands (ev): -58.2073 -58.2073 -32.6508 -32.6508 -31.8275 -31.8275 -31.8275 -31.8275 -7.5333 -7.5333 -6.3841 -6.3830 -6.3765 -6.3753 -6.3472 -6.3467 0.4151 0.4165 0.4314 0.4326 1.2385 1.2386 1.8532 1.8593 1.9251 1.9395 1.9584 1.9607 2.4879 2.4945 2.5198 2.5311 2.5502 2.5649 3.1030 3.1133 3.1394 3.1431 3.2731 3.2748 3.4722 3.4856 3.5836 3.5990 3.8253 3.8357 3.8848 3.9545 3.9678 3.9777 4.0772 4.0819 4.0997 4.1510 4.1707 4.1900 4.6760 4.7022 4.7472 4.7877 4.8999 4.9221 4.9854 4.9878 5.5371 5.5390 5.6980 5.7051 5.7686 5.7690 7.5492 7.5515 7.5561 7.5562 8.0604 8.0620 8.2409 8.2413 8.2835 8.2853 9.4611 9.4622 11.4233 11.4255 k = 0.0952 0.0952-0.0000 ( 5928 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8275 -31.8275 -31.8274 -31.8274 -7.5436 -7.5436 -6.3770 -6.3761 -6.3705 -6.3694 -6.3471 -6.3466 0.4029 0.4042 0.4161 0.4172 1.2260 1.2261 1.8677 1.8733 1.9233 1.9363 1.9554 1.9575 2.5005 2.5066 2.5330 2.5416 2.5574 2.5687 3.1269 3.1353 3.1650 3.1675 3.2787 3.2801 3.4597 3.4736 3.5573 3.5723 3.8281 3.8354 3.8928 3.9560 3.9625 3.9783 4.0776 4.0861 4.1007 4.1546 4.1593 4.1822 4.6952 4.7126 4.7582 4.7998 4.8852 4.9078 4.9853 4.9853 5.5663 5.5674 5.6964 5.7029 5.7637 5.7643 7.5446 7.5466 7.5511 7.5514 8.0842 8.0851 8.2422 8.2425 8.2772 8.2789 9.3872 9.3880 11.4199 11.4223 k = 0.0833 0.0833-0.0000 ( 5930 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8275 -31.8275 -31.8274 -31.8274 -7.5527 -7.5527 -6.3707 -6.3700 -6.3650 -6.3640 -6.3470 -6.3466 0.3921 0.3932 0.4024 0.4034 1.2148 1.2148 1.8805 1.8854 1.9218 1.9332 1.9531 1.9549 2.5116 2.5167 2.5450 2.5513 2.5641 2.5723 3.1514 3.1578 3.1894 3.1907 3.2836 3.2846 3.4471 3.4613 3.5310 3.5453 3.8302 3.8353 3.9010 3.9571 3.9581 3.9776 4.0792 4.0899 4.1007 4.1482 4.1585 4.1764 4.7119 4.7219 4.7696 4.8111 4.8721 4.8930 4.9852 4.9860 5.5928 5.5934 5.6938 5.6995 5.7598 5.7604 7.5406 7.5424 7.5462 7.5469 8.1095 8.1100 8.2427 8.2429 8.2718 8.2734 9.3166 9.3172 11.4181 11.4205 k = 0.0714 0.0714-0.0000 ( 5930 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8275 -31.8275 -31.8274 -31.8274 -7.5607 -7.5607 -6.3652 -6.3646 -6.3602 -6.3593 -6.3469 -6.3465 0.3826 0.3835 0.3903 0.3911 1.2050 1.2050 1.8914 1.8956 1.9205 1.9302 1.9515 1.9529 2.5211 2.5250 2.5557 2.5601 2.5702 2.5755 3.1762 3.1807 3.2125 3.2125 3.2877 3.2885 3.4347 3.4487 3.5048 3.5184 3.8319 3.8351 3.9093 3.9546 3.9578 3.9757 4.0816 4.0931 4.0999 4.1383 4.1618 4.1728 4.7253 4.7300 4.7817 4.8213 4.8612 4.8794 4.9862 4.9871 5.6162 5.6164 5.6905 5.6952 5.7570 5.7574 7.5372 7.5387 7.5418 7.5426 8.1357 8.1358 8.2425 8.2426 8.2674 8.2688 9.2504 9.2508 11.4177 11.4200 k = 0.0595 0.0595-0.0000 ( 5932 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5675 -7.5675 -6.3606 -6.3602 -6.3560 -6.3552 -6.3469 -6.3465 0.3745 0.3753 0.3799 0.3806 1.1966 1.1966 1.9003 1.9039 1.9194 1.9275 1.9506 1.9517 2.5290 2.5316 2.5649 2.5679 2.5754 2.5784 3.2013 3.2038 3.2329 3.2342 3.2910 3.2917 3.4225 3.4360 3.4789 3.4916 3.8331 3.8351 3.9173 3.9519 3.9579 3.9731 4.0845 4.0957 4.0986 4.1292 4.1647 4.1708 4.7349 4.7364 4.7943 4.8300 4.8529 4.8677 4.9876 4.9883 5.6358 5.6360 5.6869 5.6906 5.7554 5.7556 7.5344 7.5356 7.5378 7.5387 8.1615 8.1616 8.2421 8.2422 8.2640 8.2652 9.1898 9.1900 11.4183 11.4205 k = 0.0476 0.0476-0.0000 ( 5943 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5730 -7.5730 -6.3569 -6.3567 -6.3524 -6.3517 -6.3467 -6.3463 0.3679 0.3685 0.3713 0.3719 1.1897 1.1897 1.9073 1.9101 1.9187 1.9250 1.9504 1.9511 2.5353 2.5368 2.5725 2.5746 2.5797 2.5810 3.2263 3.2270 3.2516 3.2541 3.2937 3.2942 3.4106 3.4232 3.4535 3.4651 3.8340 3.8350 3.9251 3.9503 3.9574 3.9698 4.0876 4.0973 4.0976 4.1209 4.1671 4.1701 4.7411 4.7412 4.8068 4.8369 4.8470 4.8584 4.9891 4.9895 5.6513 5.6516 5.6833 5.6861 5.7549 5.7551 7.5321 7.5331 7.5345 7.5353 8.1853 8.1855 8.2422 8.2422 8.2614 8.2623 9.1362 9.1363 11.4196 11.4218 k = 0.0357 0.0357-0.0000 ( 5963 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5774 -7.5774 -6.3542 -6.3541 -6.3495 -6.3490 -6.3465 -6.3461 0.3627 0.3631 0.3647 0.3651 1.1843 1.1843 1.9124 1.9144 1.9182 1.9229 1.9507 1.9511 2.5400 2.5407 2.5785 2.5799 2.5829 2.5832 3.2497 3.2507 3.2684 3.2717 3.2958 3.2962 3.3996 3.4106 3.4292 3.4394 3.8345 3.8349 3.9325 3.9495 3.9564 3.9659 4.0904 4.0965 4.0988 4.1137 4.1689 4.1701 4.7444 4.7445 4.8184 4.8417 4.8434 4.8514 4.9904 4.9906 5.6627 5.6631 5.6802 5.6821 5.7555 5.7556 7.5304 7.5311 7.5318 7.5324 8.2048 8.2049 8.2438 8.2439 8.2595 8.2602 9.0913 9.0914 11.4213 11.4241 k = 0.0238 0.0238-0.0000 ( 5975 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5805 -7.5805 -6.3525 -6.3524 -6.3474 -6.3471 -6.3461 -6.3459 0.3590 0.3593 0.3599 0.3602 1.1804 1.1804 1.9159 1.9171 1.9180 1.9211 1.9513 1.9514 2.5432 2.5434 2.5829 2.5837 2.5850 2.5851 3.2712 3.2733 3.2827 3.2861 3.2972 3.2976 3.3903 3.3990 3.4071 3.4153 3.8348 3.8349 3.9394 3.9496 3.9549 3.9617 4.0930 4.0966 4.0993 4.1075 4.1701 4.1705 4.7461 4.7463 4.8284 4.8415 4.8440 4.8467 4.9914 4.9915 5.6703 5.6706 5.6777 5.6790 5.7567 5.7567 7.5292 7.5297 7.5299 7.5304 8.2169 8.2170 8.2486 8.2487 8.2583 8.2587 9.0572 9.0573 11.4219 11.4233 k = 0.0119 0.0119-0.0000 ( 5991 PWs) bands (ev): -58.2074 -58.2074 -32.6507 -32.6507 -31.8274 -31.8274 -31.8274 -31.8274 -7.5824 -7.5824 -6.3515 -6.3515 -6.3461 -6.3459 -6.3458 -6.3456 0.3567 0.3569 0.3570 0.3571 1.1780 1.1780 1.9178 1.9183 1.9185 1.9198 1.9518 1.9518 2.5451 2.5451 2.5856 2.5860 2.5862 2.5864 3.2888 3.2911 3.2931 3.2955 3.2984 3.2988 3.3844 3.3894 3.3901 3.3952 3.8349 3.8350 3.9458 3.9504 3.9533 3.9569 4.0954 4.0974 4.0991 4.1024 4.1708 4.1709 4.7469 4.7470 4.8362 4.8410 4.8431 4.8444 4.9920 4.9920 5.6746 5.6748 5.6763 5.6769 5.7578 5.7578 7.5286 7.5288 7.5288 7.5290 8.2219 8.2219 8.2547 8.2548 8.2576 8.2578 9.0358 9.0358 11.4223 11.4229 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2074 -58.2074 -32.6507 -32.6507 -31.8274 -31.8274 -31.8274 -31.8274 -7.5830 -7.5830 -6.3513 -6.3513 -6.3456 -6.3456 -6.3456 -6.3456 0.3561 0.3561 0.3561 0.3561 1.1772 1.1772 1.9187 1.9187 1.9187 1.9187 1.9520 1.9520 2.5456 2.5456 2.5866 2.5866 2.5866 2.5866 3.2971 3.2971 3.2971 3.2971 3.3002 3.3002 3.3843 3.3843 3.3843 3.3843 3.8349 3.8349 3.9516 3.9516 3.9516 3.9516 4.0984 4.0984 4.0984 4.0984 4.1709 4.1709 4.7471 4.7471 4.8415 4.8415 4.8415 4.8415 4.9921 4.9921 5.6760 5.6760 5.6760 5.6760 5.7582 5.7582 7.5284 7.5284 7.5284 7.5284 8.2231 8.2231 8.2574 8.2574 8.2574 8.2574 9.0284 9.0284 11.4220 11.4220 k = 0.0000 0.0000 0.0000 ( 6031 PWs) bands (ev): -58.2074 -58.2074 -32.6507 -32.6507 -31.8274 -31.8274 -31.8274 -31.8274 -7.5830 -7.5830 -6.3513 -6.3513 -6.3456 -6.3456 -6.3456 -6.3456 0.3561 0.3561 0.3561 0.3561 1.1772 1.1772 1.9187 1.9187 1.9187 1.9187 1.9520 1.9520 2.5456 2.5456 2.5866 2.5866 2.5866 2.5866 3.2971 3.2971 3.2971 3.2971 3.3002 3.3002 3.3843 3.3843 3.3843 3.3843 3.8349 3.8349 3.9516 3.9516 3.9516 3.9516 4.0984 4.0984 4.0984 4.0984 4.1709 4.1709 4.7471 4.7471 4.8415 4.8415 4.8415 4.8415 4.9921 4.9921 5.6760 5.6760 5.6760 5.6760 5.7582 5.7582 7.5284 7.5284 7.5284 7.5284 8.2231 8.2231 8.2574 8.2574 8.2574 8.2574 9.0284 9.0284 11.4220 11.4221 k = 0.0098 0.0098 0.0098 ( 5989 PWs) bands (ev): -58.2074 -58.2074 -32.6507 -32.6507 -31.8274 -31.8274 -31.8274 -31.8274 -7.5823 -7.5823 -6.3515 -6.3515 -6.3460 -6.3458 -6.3458 -6.3457 0.3568 0.3570 0.3570 0.3571 1.1780 1.1780 1.9180 1.9182 1.9182 1.9198 1.9518 1.9518 2.5451 2.5451 2.5857 2.5861 2.5861 2.5862 3.2899 3.2930 3.2930 3.2934 3.2979 3.2979 3.3860 3.3898 3.3898 3.3943 3.8350 3.8350 3.9455 3.9519 3.9519 3.9571 4.0954 4.0982 4.0982 4.1026 4.1709 4.1709 4.7469 4.7469 4.8359 4.8422 4.8422 4.8443 4.9920 4.9920 5.6746 5.6746 5.6763 5.6770 5.7578 5.7578 7.5286 7.5288 7.5288 7.5290 8.2219 8.2219 8.2547 8.2547 8.2576 8.2579 9.0359 9.0359 11.4227 11.4227 k = 0.0196 0.0196 0.0196 ( 5971 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5804 -7.5804 -6.3524 -6.3524 -6.3471 -6.3466 -6.3466 -6.3465 0.3594 0.3596 0.3596 0.3599 1.1804 1.1804 1.9166 1.9166 1.9177 1.9212 1.9513 1.9513 2.5433 2.5433 2.5832 2.5842 2.5845 2.5845 3.2760 3.2801 3.2803 3.2803 3.2939 3.2939 3.3977 3.4031 3.4031 3.4115 3.8349 3.8349 3.9389 3.9524 3.9524 3.9618 4.0937 4.0975 4.0975 4.1077 4.1703 4.1703 4.7461 4.7461 4.8274 4.8443 4.8445 4.8445 4.9914 4.9914 5.6701 5.6701 5.6780 5.6793 5.7567 5.7567 7.5294 7.5299 7.5299 7.5302 8.2166 8.2166 8.2485 8.2485 8.2585 8.2590 9.0577 9.0577 11.4248 11.4267 k = 0.0294 0.0294 0.0294 ( 5965 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5773 -7.5773 -6.3538 -6.3538 -6.3487 -6.3479 -6.3478 -6.3478 0.3637 0.3640 0.3640 0.3644 1.1844 1.1844 1.9137 1.9137 1.9176 1.9229 1.9508 1.9508 2.5403 2.5403 2.5793 2.5808 2.5819 2.5819 3.2591 3.2620 3.2634 3.2634 3.2878 3.2878 3.4147 3.4204 3.4204 3.4320 3.8347 3.8347 3.9316 3.9533 3.9533 3.9657 4.0933 4.0964 4.0964 4.1138 4.1694 4.1694 4.7442 4.7442 4.8163 4.8414 4.8487 4.8487 4.9905 4.9905 5.6618 5.6618 5.6807 5.6829 5.7557 5.7557 7.5309 7.5316 7.5316 7.5321 8.2036 8.2036 8.2442 8.2442 8.2600 8.2607 9.0923 9.0923 11.4274 11.4280 k = 0.0392 0.0392 0.0392 ( 5953 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5728 -7.5728 -6.3557 -6.3557 -6.3510 -6.3499 -6.3495 -6.3495 0.3697 0.3701 0.3701 0.3707 1.1899 1.1899 1.9092 1.9092 1.9179 1.9249 1.9505 1.9505 2.5361 2.5361 2.5739 2.5759 2.5782 2.5782 3.2410 3.2418 3.2449 3.2449 3.2794 3.2794 3.4343 3.4395 3.4395 3.4540 3.8345 3.8345 3.9240 3.9545 3.9545 3.9686 4.0943 4.0948 4.0948 4.1207 4.1683 4.1683 4.7407 4.7407 4.8028 4.8361 4.8555 4.8555 4.9893 4.9893 5.6491 5.6491 5.6845 5.6875 5.7555 5.7555 7.5331 7.5340 7.5340 7.5346 8.1828 8.1828 8.2436 8.2436 8.2621 8.2631 9.1375 9.1375 11.4311 11.4312 k = 0.0490 0.0490 0.0490 ( 5941 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5672 -7.5672 -6.3583 -6.3583 -6.3538 -6.3525 -6.3516 -6.3516 0.3774 0.3779 0.3779 0.3786 1.1969 1.1969 1.9030 1.9030 1.9186 1.9273 1.9506 1.9506 2.5307 2.5307 2.5671 2.5694 2.5736 2.5736 3.2209 3.2226 3.2256 3.2256 3.2687 3.2687 3.4553 3.4595 3.4595 3.4768 3.8341 3.8341 3.9160 3.9560 3.9560 3.9706 4.0927 4.0927 4.0968 4.1283 4.1671 4.1671 4.7351 4.7351 4.7874 4.8285 4.8652 4.8652 4.9882 4.9882 5.6316 5.6316 5.6890 5.6930 5.7564 5.7564 7.5360 7.5371 7.5371 7.5378 8.1574 8.1574 8.2451 8.2451 8.2648 8.2660 9.1914 9.1914 11.4361 11.4362 k = 0.0588 0.0588 0.0588 ( 5938 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8274 -31.8274 -31.8274 -31.8274 -7.5603 -7.5603 -6.3614 -6.3614 -6.3572 -6.3556 -6.3541 -6.3541 0.3867 0.3873 0.3873 0.3882 1.2053 1.2053 1.8947 1.8947 1.9195 1.9299 1.9512 1.9512 2.5240 2.5240 2.5588 2.5615 2.5680 2.5680 3.1998 3.2041 3.2061 3.2061 3.2556 3.2556 3.4771 3.4798 3.4798 3.4999 3.8337 3.8337 3.9075 3.9576 3.9576 3.9715 4.0903 4.0903 4.1007 4.1365 4.1659 4.1659 4.7276 4.7276 4.7703 4.8191 4.8778 4.8778 4.9872 4.9872 5.6093 5.6093 5.6940 5.6991 5.7586 5.7586 7.5395 7.5409 7.5409 7.5417 8.1298 8.1298 8.2479 8.2479 8.2679 8.2693 9.2520 9.2520 11.4427 11.4427 k = 0.0686 0.0686 0.0686 ( 5920 PWs) bands (ev): -58.2073 -58.2073 -32.6508 -32.6508 -31.8275 -31.8275 -31.8275 -31.8275 -7.5521 -7.5521 -6.3651 -6.3651 -6.3612 -6.3593 -6.3570 -6.3570 0.3976 0.3982 0.3982 0.3994 1.2153 1.2153 1.8847 1.8847 1.9208 1.9329 1.9525 1.9525 2.5161 2.5161 2.5491 2.5522 2.5617 2.5617 3.1789 3.1859 3.1867 3.1867 3.2402 3.2402 3.4994 3.5002 3.5002 3.5231 3.8331 3.8331 3.8988 3.9594 3.9594 3.9716 4.0876 4.0876 4.1059 4.1454 4.1649 4.1649 4.7183 4.7183 4.7521 4.8082 4.8928 4.8928 4.9869 4.9869 5.5827 5.5827 5.6993 5.7056 5.7617 5.7617 7.5438 7.5454 7.5454 7.5463 8.1016 8.1016 8.2515 8.2515 8.2715 8.2731 9.3176 9.3176 11.4512 11.4512 k = 0.0784 0.0784 0.0784 ( 5926 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8275 -31.8275 -31.8275 -31.8275 -7.5428 -7.5428 -6.3693 -6.3693 -6.3657 -6.3636 -6.3603 -6.3603 0.4100 0.4107 0.4107 0.4120 1.2265 1.2265 1.8727 1.8727 1.9224 1.9361 1.9542 1.9542 2.5069 2.5069 2.5380 2.5414 2.5545 2.5545 3.1582 3.1675 3.1675 3.1679 3.2226 3.2226 3.5204 3.5204 3.5220 3.5461 3.8323 3.8323 3.8896 3.9611 3.9611 3.9709 4.0847 4.0847 4.1122 4.1547 4.1643 4.1643 4.7075 4.7075 4.7332 4.7963 4.9090 4.9090 4.9881 4.9881 5.5521 5.5521 5.7046 5.7123 5.7654 5.7654 7.5487 7.5505 7.5505 7.5515 8.0738 8.0738 8.2557 8.2557 8.2755 8.2772 9.3869 9.3869 11.4618 11.4618 k = 0.0882 0.0882 0.0882 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6508 -32.6508 -31.8275 -31.8275 -31.8275 -31.8275 -7.5323 -7.5323 -6.3741 -6.3741 -6.3707 -6.3684 -6.3639 -6.3639 0.4238 0.4245 0.4245 0.4261 1.2390 1.2390 1.8591 1.8591 1.9243 1.9396 1.9563 1.9563 2.4964 2.4964 2.5256 2.5292 2.5466 2.5466 3.1380 3.1486 3.1486 3.1503 3.2028 3.2028 3.5404 3.5404 3.5448 3.5689 3.8315 3.8315 3.8803 3.9625 3.9625 3.9695 4.0816 4.0816 4.1196 4.1641 4.1641 4.1645 4.6959 4.6959 4.7139 4.7838 4.9244 4.9244 4.9928 4.9928 5.5182 5.5182 5.7099 5.7190 5.7695 5.7695 7.5543 7.5563 7.5563 7.5574 8.0473 8.0473 8.2604 8.2604 8.2798 8.2816 9.4586 9.4586 11.4749 11.4749 k = 0.0980 0.0980 0.0980 ( 5932 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8275 -31.8275 -31.8275 -31.8275 -7.5207 -7.5207 -6.3794 -6.3794 -6.3761 -6.3736 -6.3679 -6.3679 0.4389 0.4397 0.4397 0.4415 1.2527 1.2527 1.8437 1.8437 1.9265 1.9434 1.9589 1.9589 2.4846 2.4846 2.5120 2.5157 2.5382 2.5382 3.1183 3.1302 3.1302 3.1332 3.1809 3.1809 3.5600 3.5600 3.5677 3.5914 3.8305 3.8305 3.8706 3.9636 3.9636 3.9677 4.0785 4.0785 4.1277 4.1647 4.1647 4.1745 4.6838 4.6838 4.6948 4.7710 4.9357 4.9357 5.0037 5.0037 5.4814 5.4814 5.7149 5.7254 5.7736 5.7736 7.5606 7.5628 7.5628 7.5639 8.0226 8.0226 8.2654 8.2654 8.2844 8.2862 9.5316 9.5316 11.4908 11.4908 k = 0.1078 0.1078 0.1078 ( 5932 PWs) bands (ev): -58.2074 -58.2074 -32.6508 -32.6508 -31.8275 -31.8275 -31.8275 -31.8275 -7.5079 -7.5079 -6.3851 -6.3851 -6.3821 -6.3794 -6.3722 -6.3722 0.4552 0.4560 0.4560 0.4582 1.2675 1.2675 1.8268 1.8268 1.9290 1.9474 1.9618 1.9618 2.4717 2.4717 2.4972 2.5009 2.5292 2.5292 3.0993 3.1122 3.1122 3.1165 3.1571 3.1571 3.5791 3.5791 3.5906 3.6134 3.8294 3.8294 3.8609 3.9643 3.9643 3.9656 4.0756 4.0756 4.1364 4.1660 4.1660 4.1848 4.6717 4.6717 4.6762 4.7584 4.9412 4.9412 5.0224 5.0224 5.4420 5.4420 5.7196 5.7314 5.7776 5.7776 7.5676 7.5700 7.5700 7.5711 8.0000 8.0000 8.2708 8.2708 8.2891 8.2909 9.6050 9.6050 11.5093 11.5093 k = 0.1176 0.1176 0.1176 ( 5920 PWs) bands (ev): -58.2073 -58.2073 -32.6508 -32.6508 -31.8275 -31.8275 -31.8275 -31.8275 -7.4941 -7.4941 -6.3913 -6.3913 -6.3884 -6.3855 -6.3768 -6.3768 0.4727 0.4735 0.4735 0.4759 1.2832 1.2832 1.8084 1.8084 1.9318 1.9516 1.9650 1.9650 2.4577 2.4577 2.4814 2.4850 2.5197 2.5197 3.0809 3.0948 3.0948 3.1003 3.1315 3.1315 3.5976 3.5976 3.6135 3.6348 3.8282 3.8282 3.8510 3.9634 3.9644 3.9644 4.0729 4.0729 4.1456 4.1681 4.1681 4.1952 4.6586 4.6599 4.6599 4.7464 4.9421 4.9421 5.0475 5.0475 5.4006 5.4006 5.7237 5.7370 5.7814 5.7814 7.5753 7.5777 7.5777 7.5789 7.9798 7.9798 8.2763 8.2763 8.2940 8.2958 9.6779 9.6779 11.5277 11.5278 k = 0.1275 0.1275 0.1275 ( 5923 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8275 -31.8275 -31.8275 -31.8275 -7.4792 -7.4792 -6.3980 -6.3980 -6.3952 -6.3921 -6.3817 -6.3817 0.4911 0.4919 0.4919 0.4946 1.2998 1.2998 1.7885 1.7885 1.9348 1.9560 1.9685 1.9685 2.4426 2.4426 2.4647 2.4681 2.5099 2.5099 3.0631 3.0779 3.0779 3.0846 3.1043 3.1043 3.6154 3.6154 3.6362 3.6554 3.8269 3.8269 3.8411 3.9611 3.9638 3.9638 4.0704 4.0704 4.1549 4.1712 4.1712 4.2057 4.6422 4.6487 4.6487 4.7350 4.9401 4.9401 5.0769 5.0769 5.3576 5.3576 5.7274 5.7420 5.7849 5.7849 7.5836 7.5861 7.5861 7.5874 7.9622 7.9622 8.2821 8.2821 8.2991 8.3008 9.7495 9.7495 11.5447 11.5449 k = 0.1373 0.1373 0.1373 ( 5935 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8276 -31.8276 -31.8276 -31.8276 -7.4632 -7.4632 -6.4050 -6.4050 -6.4023 -6.3991 -6.3869 -6.3869 0.5103 0.5111 0.5111 0.5141 1.3170 1.3170 1.7674 1.7674 1.9380 1.9605 1.9722 1.9722 2.4267 2.4267 2.4471 2.4502 2.4996 2.4996 3.0460 3.0612 3.0612 3.0693 3.0760 3.0760 3.6322 3.6322 3.6586 3.6751 3.8256 3.8256 3.8312 3.9590 3.9626 3.9626 4.0682 4.0682 4.1642 4.1752 4.1752 4.2160 4.6275 4.6384 4.6384 4.7248 4.9364 4.9364 5.1092 5.1092 5.3133 5.3133 5.7307 5.7465 5.7880 5.7880 7.5926 7.5950 7.5950 7.5964 7.9473 7.9473 8.2880 8.2880 8.3042 8.3059 9.8191 9.8191 11.5619 11.5620 k = 0.1471 0.1471 0.1471 ( 5941 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8276 -31.8276 -31.8276 -31.8276 -7.4463 -7.4463 -6.4123 -6.4123 -6.4098 -6.4063 -6.3923 -6.3923 0.5301 0.5310 0.5310 0.5343 1.3346 1.3346 1.7453 1.7453 1.9414 1.9652 1.9761 1.9761 2.4100 2.4100 2.4290 2.4317 2.4891 2.4891 3.0295 3.0418 3.0418 3.0496 3.0496 3.0545 3.6481 3.6481 3.6808 3.6938 3.8214 3.8242 3.8242 3.9572 3.9610 3.9610 4.0664 4.0664 4.1732 4.1802 4.1802 4.2262 4.6146 4.6292 4.6292 4.7157 4.9314 4.9314 5.1435 5.1435 5.2682 5.2682 5.7335 5.7505 5.7908 5.7908 7.6021 7.6045 7.6045 7.6060 7.9353 7.9353 8.2942 8.2942 8.3095 8.3110 9.8859 9.8859 11.5795 11.5797 k = 0.1569 0.1569 0.1569 ( 5935 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8276 -31.8276 -31.8276 -31.8276 -7.4285 -7.4285 -6.4200 -6.4200 -6.4175 -6.4139 -6.3980 -6.3980 0.5505 0.5513 0.5513 0.5551 1.3523 1.3523 1.7222 1.7222 1.9450 1.9699 1.9801 1.9801 2.3929 2.3929 2.4104 2.4127 2.4784 2.4784 3.0129 3.0129 3.0138 3.0324 3.0324 3.0401 3.6628 3.6628 3.7024 3.7113 3.8119 3.8228 3.8228 3.9559 3.9591 3.9591 4.0647 4.0647 4.1818 4.1860 4.1860 4.2361 4.6038 4.6213 4.6213 4.7082 4.9254 4.9254 5.1783 5.1783 5.2243 5.2243 5.7359 5.7539 5.7933 5.7933 7.6121 7.6145 7.6145 7.6160 7.9261 7.9261 8.3004 8.3004 8.3150 8.3162 9.9495 9.9495 11.5976 11.5991 k = 0.1667 0.1667 0.1667 ( 5953 PWs) bands (ev): -58.2073 -58.2073 -32.6509 -32.6509 -31.8276 -31.8276 -31.8276 -31.8276 -7.4097 -7.4097 -6.4279 -6.4279 -6.4255 -6.4218 -6.4039 -6.4039 0.5712 0.5720 0.5720 0.5762 1.3697 1.3697 1.6986 1.6986 1.9488 1.9747 1.9843 1.9843 2.3754 2.3754 2.3917 2.3933 2.4674 2.4674 2.9813 2.9813 2.9986 3.0176 3.0176 3.0261 3.6763 3.6763 3.7234 3.7275 3.8028 3.8215 3.8215 3.9553 3.9569 3.9569 4.0633 4.0633 4.1898 4.1927 4.1927 4.2455 4.5953 4.6146 4.6146 4.7021 4.9183 4.9183 5.1723 5.1723 5.2223 5.2223 5.7381 5.7570 5.7956 5.7956 7.6227 7.6249 7.6249 7.6266 7.9197 7.9197 8.3069 8.3069 8.3205 8.3215 10.0094 10.0094 11.6160 11.6163 k = 0.1765 0.1765 0.1765 ( 5935 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8277 -31.8277 -31.8277 -31.8277 -7.3901 -7.3901 -6.4361 -6.4361 -6.4337 -6.4299 -6.4100 -6.4100 0.5921 0.5929 0.5929 0.5974 1.3863 1.3863 1.6749 1.6749 1.9527 1.9796 1.9885 1.9885 2.3578 2.3578 2.3729 2.3739 2.4564 2.4564 2.9489 2.9489 2.9840 3.0036 3.0036 3.0125 3.6884 3.6884 3.7423 3.7433 3.7947 3.8204 3.8204 3.9548 3.9548 3.9555 4.0621 4.0621 4.1970 4.2000 4.2000 4.2545 4.5892 4.6093 4.6093 4.6978 4.9101 4.9101 5.1281 5.1281 5.2603 5.2603 5.7402 5.7599 5.7979 5.7979 7.6337 7.6357 7.6357 7.6375 7.9163 7.9163 8.3136 8.3136 8.3263 8.3270 10.0652 10.0652 11.6345 11.6350 k = 0.1863 0.1863 0.1863 ( 5929 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8277 -31.8277 -31.8277 -31.8277 -7.3698 -7.3698 -6.4445 -6.4445 -6.4421 -6.4382 -6.4163 -6.4163 0.6130 0.6137 0.6137 0.6187 1.4011 1.4011 1.6518 1.6518 1.9567 1.9844 1.9928 1.9928 2.3404 2.3404 2.3543 2.3547 2.4453 2.4453 2.9161 2.9161 2.9700 2.9903 2.9903 2.9992 3.6989 3.6989 3.7555 3.7603 3.7894 3.8196 3.8196 3.9529 3.9529 3.9567 4.0610 4.0610 4.2032 4.2078 4.2078 4.2628 4.5855 4.6052 4.6052 4.6950 4.9007 4.9007 5.0832 5.0832 5.3008 5.3008 5.7424 5.7626 5.8003 5.8003 7.6451 7.6469 7.6469 7.6488 7.9158 7.9158 8.3205 8.3205 8.3322 8.3326 10.1167 10.1167 11.6524 11.6528 k = 0.1961 0.1961 0.1961 ( 5923 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8277 -31.8277 -31.8277 -31.8277 -7.3487 -7.3487 -6.4530 -6.4530 -6.4507 -6.4467 -6.4228 -6.4228 0.6336 0.6343 0.6343 0.6397 1.4131 1.4131 1.6306 1.6306 1.9608 1.9892 1.9970 1.9970 2.3235 2.3235 2.3359 2.3362 2.4341 2.4341 2.8834 2.8834 2.9565 2.9774 2.9774 2.9863 3.7077 3.7077 3.7670 3.7671 3.7942 3.8191 3.8191 3.9513 3.9513 3.9589 4.0599 4.0599 4.2085 4.2159 4.2159 4.2705 4.5841 4.6024 4.6024 4.6938 4.8898 4.8898 5.0392 5.0392 5.3426 5.3426 5.7450 5.7655 5.8029 5.8029 7.6568 7.6583 7.6583 7.6603 7.9181 7.9181 8.3277 8.3277 8.3384 8.3385 10.1639 10.1639 11.6696 11.6698 k = 0.2059 0.2059 0.2059 ( 5914 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8277 -31.8277 -31.8277 -31.8277 -7.3269 -7.3269 -6.4617 -6.4617 -6.4594 -6.4553 -6.4294 -6.4294 0.6539 0.6545 0.6545 0.6603 1.4204 1.4204 1.6128 1.6128 1.9649 1.9938 2.0012 2.0012 2.3072 2.3072 2.3179 2.3188 2.4228 2.4228 2.8510 2.8510 2.9435 2.9651 2.9651 2.9736 3.7148 3.7148 3.7633 3.7773 3.8092 3.8193 3.8193 3.9501 3.9501 3.9622 4.0589 4.0589 4.2126 4.2242 4.2242 4.2775 4.5849 4.6006 4.6006 4.6940 4.8769 4.8769 4.9971 4.9971 5.3854 5.3854 5.7480 5.7687 5.8060 5.8060 7.6687 7.6699 7.6699 7.6720 7.9232 7.9232 8.3352 8.3352 8.3445 8.3450 10.2066 10.2066 11.6859 11.6873 k = 0.2157 0.2157 0.2157 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8278 -31.8278 -31.8278 -31.8278 -7.3045 -7.3045 -6.4704 -6.4704 -6.4681 -6.4641 -6.4361 -6.4361 0.6735 0.6740 0.6740 0.6804 1.4207 1.4207 1.6005 1.6005 1.9690 1.9982 2.0052 2.0052 2.2918 2.2918 2.3008 2.3024 2.4116 2.4116 2.8194 2.8194 2.9310 2.9532 2.9532 2.9613 3.7201 3.7201 3.7574 3.7859 3.8200 3.8200 3.8263 3.9493 3.9493 3.9663 4.0579 4.0579 4.2158 4.2324 4.2324 4.2836 4.5874 4.5995 4.5995 4.6955 4.8612 4.8612 4.9581 4.9581 5.4289 5.4289 5.7518 5.7725 5.8098 5.8098 7.6808 7.6817 7.6817 7.6838 7.9309 7.9309 8.3430 8.3430 8.3510 8.3520 10.2452 10.2452 11.7005 11.7019 k = 0.2255 0.2255 0.2255 ( 5938 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8278 -31.8278 -31.8278 -31.8278 -7.2816 -7.2816 -6.4792 -6.4792 -6.4770 -6.4728 -6.4429 -6.4429 0.6922 0.6927 0.6927 0.6996 1.4126 1.4126 1.5951 1.5951 1.9731 2.0025 2.0091 2.0091 2.2776 2.2776 2.2850 2.2871 2.4005 2.4005 2.7887 2.7887 2.9189 2.9417 2.9417 2.9492 3.7238 3.7238 3.7516 3.7933 3.8214 3.8214 3.8432 3.9488 3.9488 3.9713 4.0571 4.0571 4.2181 4.2404 4.2404 4.2890 4.5915 4.5986 4.5986 4.6980 4.8415 4.8415 4.9238 4.9238 5.4731 5.4731 5.7566 5.7771 5.8146 5.8146 7.6929 7.6935 7.6935 7.6957 7.9414 7.9414 8.3513 8.3513 8.3578 8.3593 10.2796 10.2796 11.7127 11.7133 k = 0.2353 0.2353 0.2353 ( 5935 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8278 -31.8278 -31.8278 -31.8278 -7.2582 -7.2582 -6.4880 -6.4880 -6.4858 -6.4816 -6.4499 -6.4499 0.7100 0.7104 0.7104 0.7177 1.3963 1.3963 1.5962 1.5962 1.9772 2.0066 2.0129 2.0129 2.2649 2.2649 2.2706 2.2731 2.3894 2.3894 2.7595 2.7595 2.9072 2.9306 2.9306 2.9374 3.7260 3.7260 3.7463 3.7997 3.8235 3.8235 3.8596 3.9487 3.9487 3.9770 4.0562 4.0562 4.2195 4.2482 4.2482 4.2937 4.5967 4.5974 4.5974 4.7013 4.8172 4.8172 4.8955 4.8955 5.5177 5.5177 5.7627 5.7828 5.8205 5.8205 7.7051 7.7054 7.7054 7.7076 7.9543 7.9543 8.3600 8.3600 8.3651 8.3672 10.3103 10.3103 11.7217 11.7236 k = 0.2451 0.2451 0.2451 ( 5935 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8278 -31.8278 -31.8278 -31.8278 -7.2344 -7.2344 -6.4968 -6.4968 -6.4946 -6.4904 -6.4568 -6.4568 0.7267 0.7270 0.7270 0.7347 1.3736 1.3736 1.6018 1.6018 1.9814 2.0105 2.0165 2.0165 2.2537 2.2537 2.2578 2.2607 2.3786 2.3786 2.7321 2.7321 2.8959 2.9199 2.9199 2.9258 3.7271 3.7271 3.7418 3.8053 3.8261 3.8261 3.8752 3.9490 3.9490 3.9831 4.0555 4.0555 4.2204 4.2556 4.2556 4.2978 4.5951 4.5951 4.6025 4.7050 4.7896 4.7896 4.8725 4.8725 5.5627 5.5627 5.7704 5.7899 5.8280 5.8280 7.7171 7.7171 7.7172 7.7194 7.9697 7.9697 8.3691 8.3691 8.3728 8.3755 10.3374 10.3374 11.7269 11.7276 k = 0.2549 0.2549 0.2549 ( 5917 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8279 -31.8279 -31.8279 -31.8279 -7.2102 -7.2102 -6.5056 -6.5056 -6.5033 -6.4992 -6.4639 -6.4639 0.7419 0.7421 0.7421 0.7504 1.3465 1.3465 1.6097 1.6097 1.9856 2.0143 2.0201 2.0201 2.2442 2.2442 2.2468 2.2499 2.3680 2.3680 2.7067 2.7067 2.8850 2.9096 2.9096 2.9145 3.7272 3.7272 3.7380 3.8105 3.8291 3.8291 3.8900 3.9494 3.9494 3.9894 4.0548 4.0548 4.2208 4.2626 4.2626 4.3012 4.5906 4.5906 4.6086 4.7088 4.7615 4.7615 4.8531 4.8531 5.6079 5.6079 5.7800 5.7987 5.8372 5.8372 7.7288 7.7288 7.7291 7.7310 7.9874 7.9874 8.3788 8.3788 8.3811 8.3844 10.3612 10.3612 11.7267 11.7275 k = 0.2647 0.2647 0.2647 ( 5911 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8279 -31.8279 -31.8279 -31.8279 -7.1858 -7.1858 -6.5143 -6.5143 -6.5119 -6.5078 -6.4710 -6.4710 0.7557 0.7558 0.7558 0.7645 1.3166 1.3166 1.6183 1.6183 1.9898 2.0180 2.0236 2.0236 2.2364 2.2364 2.2375 2.2408 2.3576 2.3576 2.6840 2.6840 2.8746 2.8996 2.8996 2.9035 3.7267 3.7267 3.7351 3.8154 3.8325 3.8325 3.9040 3.9500 3.9500 3.9956 4.0542 4.0542 4.2209 4.2692 4.2692 4.3041 4.5824 4.5824 4.6144 4.7122 4.7360 4.7360 4.8354 4.8354 5.6531 5.6531 5.7916 5.8094 5.8484 5.8484 7.7403 7.7403 7.7409 7.7424 8.0072 8.0072 8.3890 8.3890 8.3899 8.3938 10.3821 10.3821 11.7200 11.7226 k = 0.2745 0.2745 0.2745 ( 5911 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8279 -31.8279 -31.8279 -31.8279 -7.1612 -7.1612 -6.5228 -6.5228 -6.5205 -6.5164 -6.4781 -6.4781 0.7678 0.7678 0.7679 0.7770 1.2850 1.2850 1.6264 1.6264 1.9942 2.0218 2.0272 2.0272 2.2301 2.2303 2.2303 2.2335 2.3474 2.3474 2.6640 2.6640 2.8644 2.8900 2.8900 2.8927 3.7257 3.7257 3.7331 3.8203 3.8360 3.8360 3.9171 3.9506 3.9506 4.0016 4.0535 4.0535 4.2208 4.2752 4.2752 4.3065 4.5693 4.5693 4.6196 4.7149 4.7152 4.7152 4.8184 4.8184 5.6981 5.6981 5.8054 5.8222 5.8618 5.8618 7.7516 7.7516 7.7524 7.7536 8.0290 8.0290 8.3992 8.3996 8.3996 8.4037 10.4004 10.4004 11.7063 11.7071 k = 0.2843 0.2843 0.2843 ( 5911 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8279 -31.8279 -31.8279 -31.8279 -7.1365 -7.1365 -6.5313 -6.5313 -6.5288 -6.5248 -6.4853 -6.4853 0.7782 0.7782 0.7785 0.7877 1.2522 1.2522 1.6332 1.6332 1.9988 2.0257 2.0309 2.0309 2.2243 2.2258 2.2258 2.2278 2.3376 2.3376 2.6471 2.6471 2.8547 2.8807 2.8807 2.8822 3.7245 3.7245 3.7320 3.8252 3.8396 3.8396 3.9294 3.9511 3.9511 4.0072 4.0529 4.0529 4.2207 4.2808 4.2808 4.3084 4.5512 4.5512 4.6237 4.6998 4.6998 4.7166 4.8016 4.8016 5.7427 5.7427 5.8216 5.8373 5.8776 5.8776 7.7626 7.7626 7.7636 7.7645 8.0527 8.0527 8.4090 8.4106 8.4106 8.4142 10.4162 10.4162 11.6842 11.6844 k = 0.2941 0.2941 0.2941 ( 5914 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8280 -31.8280 -31.8280 -31.8280 -7.1117 -7.1117 -6.5395 -6.5395 -6.5370 -6.5331 -6.4925 -6.4925 0.7868 0.7868 0.7873 0.7967 1.2188 1.2188 1.6383 1.6383 2.0039 2.0299 2.0351 2.0351 2.2202 2.2229 2.2229 2.2238 2.3281 2.3281 2.6336 2.6336 2.8454 2.8717 2.8717 2.8720 3.7233 3.7233 3.7318 3.8303 3.8432 3.8432 3.9409 3.9515 3.9515 4.0123 4.0521 4.0521 4.2205 4.2859 4.2859 4.3100 4.5292 4.5292 4.6266 4.6887 4.6887 4.7171 4.7847 4.7847 5.7867 5.7867 5.8404 5.8549 5.8961 5.8961 7.7734 7.7734 7.7746 7.7751 8.0781 8.0781 8.4193 8.4220 8.4220 8.4250 10.4300 10.4300 11.6533 11.6534 k = 0.3039 0.3039 0.3039 ( 5908 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8280 -31.8280 -31.8280 -31.8280 -7.0870 -7.0870 -6.5476 -6.5476 -6.5450 -6.5412 -6.4997 -6.4997 0.7937 0.7937 0.7944 0.8039 1.1852 1.1852 1.6412 1.6412 2.0093 2.0347 2.0397 2.0397 2.2174 2.2212 2.2212 2.2212 2.3190 2.3190 2.6235 2.6235 2.8364 2.8622 2.8631 2.8631 3.7220 3.7220 3.7326 3.8358 3.8469 3.8469 3.9516 3.9517 3.9517 4.0169 4.0514 4.0514 4.2207 4.2906 4.2906 4.3114 4.5050 4.5050 4.6280 4.6803 4.6803 4.7160 4.7677 4.7677 5.8298 5.8298 5.8616 5.8750 5.9175 5.9175 7.7840 7.7840 7.7852 7.7855 8.1050 8.1050 8.4300 8.4337 8.4337 8.4363 10.4419 10.4419 11.6132 11.6138 k = 0.3137 0.3137 0.3137 ( 5920 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8280 -31.8280 -31.8280 -31.8280 -7.0625 -7.0625 -6.5554 -6.5554 -6.5528 -6.5490 -6.5069 -6.5069 0.7988 0.7988 0.7998 0.8093 1.1516 1.1516 1.6418 1.6418 2.0152 2.0400 2.0450 2.0450 2.2158 2.2199 2.2206 2.2206 2.3104 2.3104 2.6169 2.6169 2.8279 2.8526 2.8548 2.8548 3.7207 3.7207 3.7343 3.8415 3.8506 3.8506 3.9517 3.9517 3.9614 4.0208 4.0504 4.0504 4.2210 4.2949 4.2949 4.3125 4.4803 4.4803 4.6278 4.6731 4.6731 4.7133 4.7505 4.7505 5.8715 5.8715 5.8854 5.8975 5.9419 5.9419 7.7943 7.7943 7.7956 7.7956 8.1331 8.1331 8.4410 8.4456 8.4456 8.4478 10.4522 10.4522 11.5644 11.5646 k = 0.3235 0.3235 0.3235 ( 5920 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8280 -31.8280 -31.8280 -31.8280 -7.0381 -7.0381 -6.5630 -6.5630 -6.5603 -6.5566 -6.5141 -6.5141 0.8023 0.8023 0.8036 0.8131 1.1183 1.1183 1.6402 1.6402 2.0218 2.0461 2.0509 2.0509 2.2151 2.2197 2.2208 2.2208 2.3023 2.3023 2.6137 2.6137 2.8198 2.8434 2.8469 2.8469 3.7196 3.7196 3.7370 3.8477 3.8543 3.8543 3.9513 3.9513 3.9706 4.0240 4.0492 4.0492 4.2218 4.2988 4.2988 4.3136 4.4564 4.4564 4.6259 4.6661 4.6661 4.7088 4.7333 4.7333 5.9115 5.9116 5.9116 5.9224 5.9695 5.9695 7.8043 7.8043 7.8055 7.8057 8.1623 8.1623 8.4522 8.4576 8.4576 8.4594 10.4610 10.4610 11.5073 11.5075 k = 0.3333 0.3333 0.3333 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8281 -31.8281 -31.8281 -31.8281 -7.0140 -7.0140 -6.5703 -6.5703 -6.5675 -6.5640 -6.5213 -6.5213 0.8043 0.8043 0.8058 0.8152 1.0855 1.0855 1.6363 1.6363 2.0289 2.0530 2.0576 2.0576 2.2152 2.2205 2.2217 2.2217 2.2947 2.2947 2.6138 2.6138 2.8122 2.8345 2.8394 2.8394 3.7186 3.7186 3.7407 3.8543 3.8580 3.8580 3.9505 3.9505 3.9789 4.0264 4.0477 4.0477 4.2231 4.3022 4.3022 4.3145 4.4340 4.4340 4.6223 4.6584 4.6584 4.7025 4.7160 4.7160 5.9397 5.9495 5.9497 5.9497 6.0002 6.0002 7.8143 7.8143 7.8152 7.8156 8.1924 8.1924 8.4635 8.4696 8.4696 8.4711 10.4687 10.4687 11.4431 11.4437 k = 0.3431 0.3431 0.3431 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8281 -31.8281 -31.8281 -31.8281 -6.9903 -6.9903 -6.5773 -6.5773 -6.5744 -6.5710 -6.5285 -6.5285 0.8049 0.8049 0.8067 0.8159 1.0534 1.0534 1.6305 1.6305 2.0367 2.0606 2.0650 2.0650 2.2157 2.2220 2.2229 2.2229 2.2877 2.2877 2.6169 2.6169 2.8050 2.8261 2.8322 2.8322 3.7176 3.7176 3.7452 3.8612 3.8618 3.8618 3.9493 3.9493 3.9865 4.0280 4.0460 4.0460 4.2249 4.3054 4.3054 4.3154 4.4138 4.4138 4.6170 4.6497 4.6497 4.6944 4.6987 4.6987 5.9698 5.9786 5.9860 5.9860 6.0335 6.0335 7.8240 7.8240 7.8248 7.8253 8.2231 8.2231 8.4747 8.4814 8.4814 8.4826 10.4753 10.4753 11.3729 11.3734 k = 0.3529 0.3529 0.3529 ( 5920 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8281 -31.8281 -31.8281 -31.8281 -6.9670 -6.9670 -6.5840 -6.5840 -6.5810 -6.5777 -6.5357 -6.5357 0.8042 0.8042 0.8064 0.8153 1.0222 1.0222 1.6229 1.6229 2.0450 2.0691 2.0732 2.0732 2.2166 2.2239 2.2241 2.2241 2.2816 2.2816 2.6227 2.6227 2.7983 2.8181 2.8255 2.8255 3.7167 3.7167 3.7507 3.8655 3.8655 3.8684 3.9476 3.9476 3.9935 4.0289 4.0440 4.0440 4.2273 4.3080 4.3080 4.3164 4.3963 4.3963 4.6103 4.6395 4.6395 4.6818 4.6818 4.6846 6.0016 6.0093 6.0211 6.0211 6.0683 6.0683 7.8338 7.8338 7.8344 7.8349 8.2541 8.2541 8.4857 8.4929 8.4929 8.4938 10.4811 10.4811 11.2985 11.2997 k = 0.3627 0.3627 0.3627 ( 5914 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8281 -31.8281 -31.8281 -31.8281 -6.9443 -6.9443 -6.5903 -6.5903 -6.5872 -6.5841 -6.5430 -6.5430 0.8025 0.8025 0.8050 0.8135 0.9922 0.9922 1.6139 1.6139 2.0539 2.0782 2.0819 2.0819 2.2176 2.2252 2.2252 2.2263 2.2762 2.2762 2.6308 2.6308 2.7921 2.8106 2.8192 2.8192 3.7158 3.7158 3.7570 3.8692 3.8692 3.8759 3.9454 3.9454 3.9997 4.0290 4.0416 4.0416 4.2303 4.3100 4.3100 4.3174 4.3821 4.3821 4.6021 4.6279 4.6279 4.6652 4.6652 4.6732 6.0345 6.0412 6.0555 6.0555 6.1036 6.1036 7.8434 7.8434 7.8439 7.8445 8.2852 8.2852 8.4964 8.5038 8.5038 8.5046 10.4861 10.4861 11.2215 11.2234 k = 0.3725 0.3725 0.3725 ( 5908 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8281 -31.8281 -31.8281 -31.8281 -6.9221 -6.9221 -6.5963 -6.5963 -6.5931 -6.5902 -6.5503 -6.5503 0.7999 0.7999 0.8027 0.8108 0.9634 0.9634 1.6038 1.6038 2.0632 2.0879 2.0911 2.0911 2.2186 2.2259 2.2259 2.2287 2.2718 2.2718 2.6408 2.6408 2.7864 2.8035 2.8133 2.8133 3.7149 3.7149 3.7641 3.8729 3.8729 3.8834 3.9426 3.9426 4.0053 4.0285 4.0391 4.0391 4.2341 4.3112 4.3112 4.3185 4.3716 4.3716 4.5928 4.6147 4.6147 4.6491 4.6491 4.6603 6.0682 6.0740 6.0895 6.0895 6.1386 6.1386 7.8531 7.8531 7.8534 7.8540 8.3161 8.3161 8.5065 8.5142 8.5142 8.5147 10.4906 10.4906 11.1435 11.1461 k = 0.3824 0.3824 0.3824 ( 5923 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8282 -31.8282 -31.8282 -31.8282 -6.9006 -6.9006 -6.6019 -6.6019 -6.5986 -6.5959 -6.5576 -6.5576 0.7966 0.7966 0.7998 0.8074 0.9360 0.9360 1.5929 1.5929 2.0729 2.0981 2.1007 2.1007 2.2194 2.2259 2.2259 2.2311 2.2683 2.2683 2.6522 2.6522 2.7812 2.7968 2.8079 2.8079 3.7138 3.7138 3.7719 3.8765 3.8765 3.8909 3.9391 3.9391 4.0102 4.0271 4.0364 4.0364 4.2386 4.3115 4.3115 4.3198 4.3647 4.3647 4.5824 4.6003 4.6003 4.6334 4.6334 4.6461 6.1021 6.1072 6.1230 6.1230 6.1726 6.1726 7.8628 7.8628 7.8630 7.8636 8.3465 8.3465 8.5159 8.5237 8.5237 8.5241 10.4945 10.4945 11.0658 11.0690 k = 0.3922 0.3922 0.3922 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8282 -31.8282 -31.8282 -31.8282 -6.8799 -6.8799 -6.6071 -6.6071 -6.6037 -6.6012 -6.5650 -6.5650 0.7928 0.7928 0.7963 0.8035 0.9102 0.9102 1.5817 1.5817 2.0828 2.1087 2.1105 2.1105 2.2198 2.2253 2.2253 2.2333 2.2657 2.2657 2.6646 2.6646 2.7765 2.7907 2.8030 2.8030 3.7126 3.7126 3.7805 3.8801 3.8801 3.8981 3.9352 3.9352 4.0145 4.0254 4.0338 4.0338 4.2439 4.3111 4.3111 4.3213 4.3616 4.3616 4.5713 4.5848 4.5848 4.6180 4.6180 4.6308 6.1360 6.1403 6.1559 6.1559 6.2052 6.2052 7.8725 7.8725 7.8726 7.8732 8.3761 8.3761 8.5245 8.5323 8.5323 8.5326 10.4981 10.4981 10.9897 10.9933 k = 0.4020 0.4020 0.4020 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8282 -31.8282 -31.8282 -31.8282 -6.8599 -6.8599 -6.6120 -6.6120 -6.6084 -6.6061 -6.5724 -6.5724 0.7886 0.7886 0.7925 0.7991 0.8862 0.8862 1.5704 1.5704 2.0930 2.1194 2.1204 2.1204 2.2199 2.2240 2.2240 2.2351 2.2640 2.2640 2.6775 2.6775 2.7723 2.7851 2.7985 2.7985 3.7112 3.7112 3.7896 3.8836 3.8836 3.9050 3.9309 3.9309 4.0181 4.0232 4.0313 4.0313 4.2500 4.3106 4.3106 4.3230 4.3614 4.3614 4.5596 4.5688 4.5688 4.6027 4.6027 4.6147 6.1692 6.1728 6.1877 6.1877 6.2362 6.2362 7.8822 7.8822 7.8823 7.8828 8.4045 8.4045 8.5322 8.5399 8.5399 8.5400 10.5013 10.5013 10.9163 10.9202 k = 0.4118 0.4118 0.4118 ( 5944 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8282 -31.8282 -31.8282 -31.8282 -6.8409 -6.8409 -6.6164 -6.6164 -6.6126 -6.6106 -6.5799 -6.5799 0.7843 0.7843 0.7886 0.7946 0.8640 0.8640 1.5594 1.5594 2.1031 2.1302 2.1302 2.1302 2.2195 2.2224 2.2224 2.2365 2.2628 2.2628 2.6906 2.6906 2.7686 2.7800 2.7946 2.7946 3.7096 3.7096 3.7994 3.8869 3.8869 3.9111 3.9263 3.9263 4.0208 4.0211 4.0291 4.0291 4.2568 4.3104 4.3104 4.3250 4.3636 4.3636 4.5476 4.5527 4.5527 4.5874 4.5874 4.5980 6.2011 6.2042 6.2181 6.2181 6.2652 6.2652 7.8919 7.8919 7.8919 7.8923 8.4315 8.4315 8.5388 8.5463 8.5463 8.5463 10.5043 10.5043 10.8467 10.8507 k = 0.4216 0.4216 0.4216 ( 5944 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8282 -31.8282 -31.8282 -31.8282 -6.8228 -6.8228 -6.6204 -6.6204 -6.6165 -6.6146 -6.5874 -6.5874 0.7799 0.7799 0.7847 0.7901 0.8438 0.8438 1.5488 1.5488 2.1133 2.1397 2.1397 2.1410 2.2186 2.2205 2.2205 2.2373 2.2619 2.2619 2.7034 2.7034 2.7655 2.7755 2.7912 2.7912 3.7078 3.7078 3.8096 3.8899 3.8899 3.9162 3.9217 3.9217 4.0185 4.0234 4.0271 4.0271 4.2644 4.3110 4.3110 4.3271 4.3675 4.3675 4.5356 4.5367 4.5367 4.5722 4.5722 4.5810 6.2315 6.2340 6.2465 6.2465 6.2922 6.2922 7.9015 7.9015 7.9015 7.9017 8.4567 8.4567 8.5444 8.5514 8.5517 8.5517 10.5070 10.5070 10.7817 10.7858 k = 0.4314 0.4314 0.4314 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8282 -31.8282 -31.8282 -31.8282 -6.8058 -6.8058 -6.6239 -6.6239 -6.6199 -6.6182 -6.5948 -6.5948 0.7757 0.7757 0.7810 0.7857 0.8258 0.8258 1.5390 1.5390 2.1233 2.1488 2.1488 2.1515 2.2171 2.2188 2.2188 2.2375 2.2610 2.2610 2.7155 2.7155 2.7628 2.7714 2.7885 2.7885 3.7060 3.7060 3.8203 3.8927 3.8927 3.9173 3.9173 3.9200 4.0165 4.0252 4.0255 4.0255 4.2728 4.3126 4.3126 4.3295 4.3727 4.3727 4.5212 4.5212 4.5238 4.5570 4.5570 4.5639 6.2596 6.2617 6.2725 6.2725 6.3169 6.3169 7.9107 7.9107 7.9107 7.9109 8.4799 8.4799 8.5490 8.5554 8.5559 8.5559 10.5095 10.5095 10.7223 10.7263 k = 0.4412 0.4412 0.4412 ( 5929 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8282 -31.8282 -31.8282 -31.8282 -6.7900 -6.7900 -6.6271 -6.6271 -6.6228 -6.6214 -6.6022 -6.6022 0.7717 0.7717 0.7775 0.7816 0.8100 0.8100 1.5300 1.5300 2.1332 2.1573 2.1573 2.1617 2.2150 2.2172 2.2172 2.2369 2.2601 2.2601 2.7265 2.7265 2.7606 2.7679 2.7863 2.7863 3.7040 3.7040 3.8311 3.8949 3.8949 3.9135 3.9135 3.9221 4.0151 4.0243 4.0243 4.0263 4.2817 4.3151 4.3151 4.3318 4.3790 4.3790 4.5065 4.5065 4.5126 4.5420 4.5420 4.5472 6.2851 6.2868 6.2956 6.2956 6.3392 6.3392 7.9195 7.9196 7.9196 7.9197 8.5007 8.5007 8.5526 8.5583 8.5590 8.5590 10.5117 10.5117 10.6693 10.6730 k = 0.4510 0.4510 0.4510 ( 5929 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8282 -31.8282 -31.8282 -31.8282 -6.7756 -6.7756 -6.6298 -6.6298 -6.6253 -6.6241 -6.6094 -6.6094 0.7681 0.7681 0.7744 0.7779 0.7966 0.7966 1.5222 1.5222 2.1427 2.1648 2.1648 2.1713 2.2124 2.2161 2.2161 2.2355 2.2589 2.2589 2.7361 2.7361 2.7589 2.7648 2.7848 2.7848 3.7020 3.7020 3.8422 3.8963 3.8963 3.9105 3.9105 3.9222 4.0145 4.0233 4.0233 4.0268 4.2909 4.3182 4.3182 4.3340 4.3861 4.3861 4.4927 4.4927 4.5023 4.5275 4.5275 4.5311 6.3076 6.3089 6.3156 6.3156 6.3587 6.3587 7.9276 7.9277 7.9277 7.9277 8.5188 8.5188 8.5552 8.5602 8.5613 8.5613 10.5137 10.5137 10.6233 10.6266 k = 0.4608 0.4608 0.4608 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7627 -6.7627 -6.6321 -6.6321 -6.6273 -6.6264 -6.6162 -6.6162 0.7647 0.7647 0.7719 0.7746 0.7857 0.7857 1.5156 1.5156 2.1518 2.1712 2.1712 2.1800 2.2094 2.2154 2.2154 2.2333 2.2576 2.2576 2.7439 2.7439 2.7576 2.7623 2.7840 2.7840 3.7002 3.7002 3.8532 3.8967 3.8967 3.9088 3.9088 3.9201 4.0148 4.0226 4.0226 4.0267 4.3004 4.3218 4.3218 4.3358 4.3939 4.3939 4.4804 4.4804 4.4933 4.5137 4.5137 4.5162 6.3265 6.3275 6.3321 6.3321 6.3752 6.3752 7.9348 7.9348 7.9348 7.9349 8.5340 8.5340 8.5572 8.5612 8.5627 8.5627 10.5153 10.5153 10.5849 10.5877 k = 0.4706 0.4706 0.4706 ( 5929 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7518 -6.7518 -6.6340 -6.6340 -6.6289 -6.6282 -6.6222 -6.6222 0.7618 0.7618 0.7699 0.7720 0.7775 0.7775 1.5104 1.5104 2.1604 2.1762 2.1762 2.1870 2.2069 2.2153 2.2153 2.2302 2.2562 2.2562 2.7498 2.7498 2.7567 2.7602 2.7838 2.7838 3.6986 3.6986 3.8641 3.8962 3.8962 3.9083 3.9083 3.9161 4.0159 4.0221 4.0221 4.0261 4.3097 4.3253 4.3253 4.3369 4.4020 4.4020 4.4697 4.4697 4.4860 4.5009 4.5009 4.5030 6.3416 6.3423 6.3451 6.3451 6.3885 6.3885 7.9408 7.9408 7.9408 7.9408 8.5460 8.5460 8.5585 8.5616 8.5637 8.5637 10.5165 10.5165 10.5546 10.5568 k = 0.4804 0.4804 0.4804 ( 5917 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7433 -6.7433 -6.6357 -6.6357 -6.6299 -6.6295 -6.6269 -6.6269 0.7593 0.7593 0.7685 0.7699 0.7719 0.7719 1.5066 1.5066 2.1686 2.1798 2.1798 2.1901 2.2069 2.2157 2.2157 2.2262 2.2549 2.2549 2.7537 2.7537 2.7563 2.7586 2.7842 2.7842 3.6974 3.6974 3.8748 3.8953 3.8953 3.9085 3.9085 3.9103 4.0176 4.0218 4.0218 4.0250 4.3183 4.3285 4.3285 4.3368 4.4098 4.4098 4.4612 4.4612 4.4809 4.4902 4.4902 4.4921 6.3527 6.3531 6.3543 6.3543 6.3982 6.3982 7.9452 7.9452 7.9452 7.9452 8.5546 8.5546 8.5595 8.5616 8.5643 8.5643 10.5171 10.5171 10.5328 10.5343 k = 0.4902 0.4902 0.4902 ( 5904 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7378 -6.7378 -6.6371 -6.6371 -6.6305 -6.6303 -6.6297 -6.6297 0.7576 0.7576 0.7678 0.7685 0.7688 0.7688 1.5043 1.5043 2.1760 2.1819 2.1819 2.1878 2.2109 2.2161 2.2161 2.2216 2.2540 2.2540 2.7559 2.7559 2.7562 2.7574 2.7846 2.7846 3.6967 3.6967 3.8850 3.8947 3.8947 3.9029 3.9087 3.9087 4.0196 4.0217 4.0217 4.0235 4.3257 4.3306 4.3306 4.3351 4.4161 4.4161 4.4553 4.4553 4.4787 4.4826 4.4826 4.4842 6.3595 6.3597 6.3599 6.3599 6.4041 6.4041 7.9480 7.9480 7.9480 7.9480 8.5594 8.5594 8.5602 8.5613 8.5650 8.5650 10.5166 10.5166 10.5198 10.5205 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7358 -6.7358 -6.6377 -6.6377 -6.6307 -6.6307 -6.6307 -6.6307 0.7569 0.7569 0.7678 0.7678 0.7678 0.7678 1.5035 1.5035 2.1826 2.1826 2.1826 2.1826 2.2163 2.2163 2.2163 2.2163 2.2537 2.2537 2.7566 2.7566 2.7566 2.7566 2.7848 2.7848 3.6964 3.6964 3.8944 3.8944 3.8944 3.8944 3.9088 3.9088 4.0216 4.0216 4.0216 4.0216 4.3314 4.3314 4.3314 4.3314 4.4187 4.4187 4.4531 4.4531 4.4797 4.4797 4.4797 4.4797 6.3618 6.3618 6.3618 6.3618 6.4061 6.4061 7.9489 7.9489 7.9489 7.9489 8.5608 8.5608 8.5608 8.5608 8.5654 8.5654 10.5157 10.5157 10.5157 10.5157 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7358 -6.7358 -6.6377 -6.6377 -6.6307 -6.6307 -6.6307 -6.6307 0.7569 0.7569 0.7678 0.7678 0.7678 0.7678 1.5035 1.5035 2.1826 2.1826 2.1826 2.1826 2.2163 2.2163 2.2163 2.2163 2.2537 2.2537 2.7566 2.7566 2.7566 2.7566 2.7848 2.7848 3.6964 3.6964 3.8944 3.8944 3.8944 3.8944 3.9088 3.9088 4.0216 4.0216 4.0216 4.0216 4.3314 4.3314 4.3314 4.3314 4.4187 4.4187 4.4531 4.4531 4.4797 4.4797 4.4797 4.4797 6.3618 6.3618 6.3618 6.3618 6.4061 6.4061 7.9489 7.9489 7.9489 7.9489 8.5608 8.5608 8.5608 8.5608 8.5654 8.5654 10.5157 10.5157 10.5157 10.5157 k = 0.4881 0.5000 0.4881 ( 5904 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7377 -6.7377 -6.6371 -6.6371 -6.6306 -6.6304 -6.6297 -6.6296 0.7575 0.7575 0.7678 0.7685 0.7686 0.7688 1.5043 1.5043 2.1762 2.1804 2.1834 2.1876 2.2110 2.2148 2.2174 2.2214 2.2540 2.2540 2.7558 2.7561 2.7562 2.7573 2.7846 2.7846 3.6967 3.6967 3.8854 3.8923 3.8969 3.9026 3.9087 3.9087 4.0197 4.0212 4.0222 4.0234 4.3258 4.3295 4.3317 4.3351 4.4160 4.4164 4.4547 4.4556 4.4788 4.4821 4.4826 4.4845 6.3593 6.3594 6.3602 6.3603 6.4041 6.4041 7.9475 7.9475 7.9485 7.9486 8.5592 8.5598 8.5603 8.5612 8.5649 8.5651 10.5169 10.5172 10.5193 10.5199 k = 0.4762 0.5000 0.4762 ( 5922 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7431 -6.7431 -6.6361 -6.6360 -6.6302 -6.6297 -6.6267 -6.6264 0.7593 0.7593 0.7688 0.7701 0.7713 0.7717 1.5066 1.5066 2.1690 2.1773 2.1822 2.1907 2.2060 2.2138 2.2178 2.2259 2.2549 2.2551 2.7538 2.7544 2.7560 2.7582 2.7841 2.7842 3.6974 3.6974 3.8756 3.8907 3.8995 3.9083 3.9085 3.9100 4.0177 4.0208 4.0227 4.0249 4.3179 4.3269 4.3298 4.3374 4.4097 4.4118 4.4568 4.4626 4.4816 4.4884 4.4903 4.4936 6.3518 6.3522 6.3553 6.3556 6.3983 6.3984 7.9432 7.9432 7.9473 7.9474 8.5541 8.5557 8.5595 8.5613 8.5639 8.5647 10.5197 10.5208 10.5288 10.5293 k = 0.4643 0.5000 0.4643 ( 5930 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7514 -6.7513 -6.6353 -6.6351 -6.6290 -6.6283 -6.6215 -6.6212 0.7618 0.7618 0.7707 0.7726 0.7761 0.7768 1.5103 1.5103 2.1610 2.1734 2.1783 2.1916 2.2014 2.2146 2.2172 2.2298 2.2562 2.2569 2.7503 2.7513 2.7560 2.7593 2.7837 2.7838 3.6985 3.6987 3.8655 3.8896 3.9014 3.9077 3.9088 3.9164 4.0160 4.0205 4.0233 4.0262 4.3083 4.3237 4.3260 4.3385 4.4031 4.4075 4.4580 4.4718 4.4884 4.4969 4.5025 4.5059 6.3394 6.3401 6.3473 6.3477 6.3890 6.3893 7.9363 7.9364 7.9454 7.9454 8.5454 8.5480 8.5585 8.5607 8.5633 8.5643 10.5234 10.5253 10.5424 10.5424 k = 0.4524 0.5000 0.4524 ( 5934 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8282 -31.8282 -6.7618 -6.7618 -6.6350 -6.6348 -6.6269 -6.6260 -6.6149 -6.6145 0.7644 0.7647 0.7741 0.7762 0.7831 0.7841 1.5155 1.5155 2.1523 2.1688 2.1719 2.1907 2.1966 2.2158 2.2173 2.2331 2.2579 2.2591 2.7451 2.7465 2.7560 2.7603 2.7837 2.7838 3.7000 3.7004 3.8550 3.8891 3.9018 3.9069 3.9101 3.9221 4.0148 4.0203 4.0239 4.0273 4.2976 4.3201 4.3209 4.3378 4.3981 4.4047 4.4588 4.4814 4.4983 4.5087 4.5169 4.5201 6.3221 6.3231 6.3360 6.3366 6.3767 6.3773 7.9272 7.9274 7.9426 7.9426 8.5334 8.5369 8.5571 8.5596 8.5626 8.5636 10.5283 10.5309 10.5605 10.5609 k = 0.4405 0.5000 0.4405 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8282 -31.8282 -6.7740 -6.7739 -6.6352 -6.6349 -6.6238 -6.6228 -6.6074 -6.6069 0.7668 0.7676 0.7789 0.7811 0.7924 0.7936 1.5220 1.5220 2.1431 2.1636 2.1637 2.1882 2.1917 2.2134 2.2210 2.2360 2.2598 2.2617 2.7383 2.7401 2.7560 2.7612 2.7847 2.7848 3.7017 3.7023 3.8444 3.8889 3.9008 3.9061 3.9115 3.9276 4.0143 4.0203 4.0243 4.0282 4.2864 4.3153 4.3163 4.3352 4.3959 4.4039 4.4598 4.4908 4.5101 4.5238 4.5325 4.5353 6.3001 6.3016 6.3215 6.3223 6.3616 6.3627 7.9164 7.9167 7.9390 7.9391 8.5183 8.5227 8.5551 8.5578 8.5614 8.5623 10.5347 10.5379 10.5836 10.5842 k = 0.4286 0.5000 0.4286 ( 5924 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8282 -31.8282 -6.7874 -6.7873 -6.6356 -6.6354 -6.6199 -6.6188 -6.5994 -6.5988 0.7692 0.7706 0.7850 0.7871 0.8038 0.8052 1.5297 1.5299 2.1335 2.1542 2.1582 2.1830 2.1883 2.2103 2.2250 2.2385 2.2619 2.2643 2.7297 2.7319 2.7559 2.7619 2.7867 2.7870 3.7035 3.7043 3.8339 3.8889 3.8990 3.9054 3.9120 3.9334 4.0146 4.0204 4.0244 4.0291 4.2753 4.3096 4.3124 4.3310 4.3962 4.4051 4.4616 4.5001 4.5230 4.5413 4.5489 4.5510 6.2738 6.2757 6.3039 6.3049 6.3443 6.3458 7.9042 7.9048 7.9347 7.9349 8.5005 8.5056 8.5524 8.5552 8.5594 8.5603 10.5428 10.5466 10.6116 10.6124 k = 0.4167 0.5000 0.4167 ( 5928 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8282 -31.8282 -31.8282 -31.8282 -6.8019 -6.8017 -6.6364 -6.6362 -6.6153 -6.6141 -6.5911 -6.5903 0.7716 0.7736 0.7922 0.7943 0.8172 0.8188 1.5386 1.5389 2.1234 2.1441 2.1522 2.1759 2.1853 2.2066 2.2291 2.2407 2.2641 2.2670 2.7194 2.7219 2.7558 2.7624 2.7898 2.7904 3.7051 3.7061 3.8239 3.8888 3.8967 3.9052 3.9110 3.9396 4.0155 4.0207 4.0241 4.0301 4.2646 4.3041 4.3088 4.3260 4.3983 4.4077 4.4645 4.5097 4.5362 4.5603 4.5660 4.5669 6.2438 6.2459 6.2833 6.2845 6.3249 6.3268 7.8911 7.8920 7.9296 7.9299 8.4801 8.4859 8.5487 8.5519 8.5564 8.5573 10.5526 10.5570 10.6444 10.6453 k = 0.4048 0.5000 0.4048 ( 5936 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8282 -31.8282 -31.8282 -31.8282 -6.8173 -6.8170 -6.6374 -6.6373 -6.6100 -6.6087 -6.5826 -6.5818 0.7741 0.7766 0.8003 0.8025 0.8325 0.8343 1.5485 1.5489 2.1130 2.1334 2.1459 2.1681 2.1821 2.2022 2.2331 2.2426 2.2666 2.2696 2.7075 2.7103 2.7559 2.7631 2.7939 2.7949 3.7064 3.7072 3.8146 3.8883 3.8938 3.9056 3.9090 3.9464 4.0167 4.0213 4.0234 4.0312 4.2546 4.2990 4.3056 4.3209 4.4016 4.4112 4.4687 4.5198 4.5491 4.5783 4.5837 4.5846 6.2105 6.2129 6.2600 6.2613 6.3035 6.3057 7.8776 7.8788 7.9237 7.9242 8.4576 8.4638 8.5439 8.5475 8.5521 8.5533 10.5643 10.5691 10.6817 10.6827 k = 0.3929 0.5000 0.3929 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8282 -31.8282 -31.8282 -31.8282 -6.8333 -6.8330 -6.6388 -6.6386 -6.6040 -6.6026 -6.5739 -6.5730 0.7766 0.7796 0.8092 0.8115 0.8495 0.8514 1.5593 1.5598 2.1024 2.1223 2.1392 2.1596 2.1785 2.1973 2.2368 2.2444 2.2693 2.2724 2.6942 2.6972 2.7565 2.7642 2.7990 2.8002 3.7073 3.7073 3.8065 3.8873 3.8901 3.9065 3.9068 3.9534 4.0179 4.0225 4.0226 4.0324 4.2456 4.2946 4.3032 4.3165 4.4054 4.4152 4.4746 4.5306 4.5613 4.5931 4.6021 4.6058 6.1747 6.1772 6.2345 6.2358 6.2803 6.2826 7.8639 7.8655 7.9170 7.9178 8.4332 8.4398 8.5379 8.5420 8.5467 8.5480 10.5779 10.5831 10.7234 10.7245 k = 0.3810 0.5000 0.3810 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8282 -31.8282 -31.8282 -31.8282 -6.8499 -6.8496 -6.6404 -6.6403 -6.5974 -6.5959 -6.5652 -6.5643 0.7790 0.7826 0.8189 0.8213 0.8681 0.8700 1.5706 1.5714 2.0916 2.1111 2.1323 2.1506 2.1745 2.1920 2.2403 2.2461 2.2725 2.2753 2.6797 2.6828 2.7576 2.7659 2.8049 2.8064 3.7059 3.7075 3.8001 3.8857 3.8857 3.9043 3.9088 3.9605 4.0186 4.0215 4.0247 4.0337 4.2376 4.2908 4.3018 4.3130 4.4093 4.4191 4.4823 4.5422 4.5723 4.6060 4.6211 4.6286 6.1371 6.1395 6.2070 6.2083 6.2551 6.2574 7.8503 7.8523 7.9096 7.9107 8.4073 8.4141 8.5306 8.5353 8.5399 8.5415 10.5932 10.5988 10.7693 10.7703 k = 0.3690 0.5000 0.3690 ( 5924 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8282 -31.8282 -31.8281 -31.8281 -6.8670 -6.8667 -6.6424 -6.6423 -6.5902 -6.5886 -6.5564 -6.5554 0.7814 0.7855 0.8292 0.8316 0.8880 0.8899 1.5825 1.5835 2.0808 2.0998 2.1252 2.1413 2.1703 2.1863 2.2435 2.2478 2.2764 2.2786 2.6640 2.6673 2.7595 2.7684 2.8115 2.8132 3.7027 3.7068 3.7956 3.8804 3.8837 3.9030 3.9114 3.9673 4.0191 4.0204 4.0274 4.0350 4.2309 4.2879 4.3016 4.3106 4.4131 4.4228 4.4918 4.5544 4.5819 4.6172 4.6407 4.6524 6.0983 6.1005 6.1779 6.1792 6.2282 6.2303 7.8370 7.8395 7.9013 7.9028 8.3804 8.3871 8.5221 8.5272 8.5319 8.5337 10.6104 10.6163 10.8190 10.8201 k = 0.3571 0.5000 0.3571 ( 5920 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8282 -31.8282 -31.8281 -31.8281 -6.8845 -6.8841 -6.6447 -6.6446 -6.5825 -6.5808 -6.5475 -6.5465 0.7835 0.7881 0.8400 0.8425 0.9091 0.9110 1.5945 1.5958 2.0700 2.0885 2.1179 2.1318 2.1657 2.1804 2.2466 2.2496 2.2808 2.2822 2.6474 2.6507 2.7623 2.7717 2.8189 2.8207 3.6976 3.7052 3.7930 3.8746 3.8815 3.9027 3.9143 3.9737 4.0193 4.0194 4.0301 4.0363 4.2255 4.2860 4.3024 4.3095 4.4164 4.4262 4.5028 4.5674 4.5898 4.6267 4.6607 4.6768 6.0589 6.0606 6.1477 6.1488 6.1996 6.2012 7.8242 7.8271 7.8922 7.8943 8.3527 8.3593 8.5124 8.5178 8.5226 8.5245 10.6291 10.6353 10.8725 10.8735 k = 0.3452 0.5000 0.3452 ( 5928 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8282 -31.8282 -31.8281 -31.8281 -6.9023 -6.9019 -6.6473 -6.6472 -6.5742 -6.5724 -6.5386 -6.5375 0.7854 0.7904 0.8511 0.8537 0.9312 0.9330 1.6065 1.6082 2.0592 2.0772 2.1106 2.1222 2.1610 2.1743 2.2496 2.2517 2.2858 2.2861 2.6300 2.6333 2.7662 2.7759 2.8268 2.8287 3.6908 3.7024 3.7920 3.8684 3.8790 3.9035 3.9172 3.9793 4.0183 4.0196 4.0328 4.0377 4.2215 4.2851 4.3044 4.3096 4.4192 4.4294 4.5149 4.5809 4.5959 4.6343 4.6811 4.7016 6.0196 6.0206 6.1166 6.1174 6.1694 6.1703 7.8119 7.8152 7.8822 7.8849 8.3249 8.3310 8.5015 8.5069 8.5122 8.5140 10.6493 10.6557 10.9293 10.9304 k = 0.3333 0.5000 0.3333 ( 5944 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8282 -31.8282 -31.8281 -31.8281 -6.9203 -6.9199 -6.6502 -6.6502 -6.5654 -6.5635 -6.5296 -6.5284 0.7869 0.7923 0.8624 0.8652 0.9542 0.9558 1.6182 1.6204 2.0486 2.0661 2.1033 2.1125 2.1560 2.1681 2.2528 2.2543 2.2906 2.2914 2.6119 2.6151 2.7711 2.7811 2.8354 2.8371 3.6828 3.6985 3.7921 3.8621 3.8763 3.9055 3.9198 3.9839 4.0176 4.0198 4.0353 4.0391 4.2189 4.2852 4.3075 4.3110 4.4214 4.4324 4.5277 4.5949 4.6005 4.6398 4.7018 4.7267 5.9806 5.9806 6.0850 6.0854 6.1377 6.1379 7.8002 7.8040 7.8711 7.8747 8.2972 8.3026 8.4894 8.4946 8.5009 8.5021 10.6707 10.6773 10.9893 10.9904 k = 0.3214 0.5000 0.3214 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8282 -31.8282 -31.8280 -31.8280 -6.9385 -6.9380 -6.6535 -6.6535 -6.5562 -6.5543 -6.5205 -6.5193 0.7879 0.7938 0.8739 0.8767 0.9777 0.9792 1.6295 1.6321 2.0383 2.0553 2.0961 2.1031 2.1510 2.1618 2.2565 2.2576 2.2955 2.2976 2.5934 2.5965 2.7773 2.7875 2.8445 2.8462 3.6741 3.6936 3.7929 3.8559 3.8737 3.9086 3.9221 3.9876 4.0173 4.0198 4.0377 4.0408 4.2179 4.2864 4.3115 4.3137 4.4229 4.4356 4.5405 4.6040 4.6093 4.6435 4.7227 4.7520 5.9412 5.9425 6.0530 6.0533 6.1038 6.1055 7.7891 7.7934 7.8590 7.8636 8.2702 8.2747 8.4764 8.4810 8.4886 8.4891 10.6932 10.6998 11.0522 11.0533 k = 0.3095 0.5000 0.3095 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8282 -31.8282 -31.8280 -31.8280 -6.9567 -6.9562 -6.6571 -6.6571 -6.5466 -6.5446 -6.5113 -6.5101 0.7884 0.7946 0.8853 0.8883 1.0016 1.0028 1.6400 1.6432 2.0284 2.0449 2.0891 2.0939 2.1458 2.1555 2.2609 2.2618 2.3010 2.3042 2.5746 2.5775 2.7848 2.7949 2.8541 2.8556 3.6649 3.6877 3.7940 3.8499 3.8711 3.9128 3.9235 3.9901 4.0173 4.0196 4.0398 4.0429 4.2183 4.2885 4.3160 4.3177 4.4237 4.4390 4.5518 4.6075 4.6229 4.6461 4.7436 4.7774 5.9023 5.9054 6.0206 6.0218 6.0687 6.0726 7.7787 7.7834 7.8457 7.8513 8.2443 8.2476 8.4622 8.4660 8.4750 8.4757 10.7163 10.7229 11.1177 11.1188 k = 0.2976 0.5000 0.2976 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8282 -31.8282 -31.8280 -31.8280 -6.9750 -6.9744 -6.6610 -6.6610 -6.5367 -6.5346 -6.5021 -6.5008 0.7881 0.7947 0.8965 0.8996 1.0256 1.0266 1.6496 1.6534 2.0189 2.0349 2.0824 2.0852 2.1406 2.1492 2.2662 2.2671 2.3069 2.3113 2.5557 2.5583 2.7935 2.8035 2.8643 2.8656 3.6558 3.6810 3.7951 3.8440 3.8685 3.9180 3.9239 3.9915 4.0178 4.0191 4.0419 4.0455 4.2201 4.2913 4.3207 4.3230 4.4237 4.4427 4.5593 4.6137 4.6315 4.6520 4.7646 4.8027 5.8640 5.8694 5.9883 5.9908 6.0329 6.0396 7.7689 7.7740 7.8310 7.8380 8.2199 8.2218 8.4470 8.4498 8.4603 8.4622 10.7398 10.7464 11.1855 11.1867 k = 0.2857 0.5000 0.2857 ( 5928 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8282 -31.8282 -31.8279 -31.8279 -6.9931 -6.9926 -6.6652 -6.6652 -6.5265 -6.5244 -6.4928 -6.4915 0.7872 0.7940 0.9075 0.9107 1.0496 1.0503 1.6581 1.6626 2.0099 2.0256 2.0760 2.0769 2.1354 2.1430 2.2725 2.2735 2.3133 2.3188 2.5368 2.5392 2.8037 2.8133 2.8750 2.8760 3.6468 3.6738 3.7960 3.8384 3.8659 3.9232 3.9241 3.9918 4.0181 4.0185 4.0439 4.0489 4.2233 4.2949 4.3252 4.3295 4.4228 4.4467 4.5607 4.6247 4.6309 4.6652 4.7854 4.8279 5.8261 5.8341 5.9566 5.9606 5.9968 6.0073 7.7598 7.7653 7.8149 7.8233 8.1975 8.1978 8.4306 8.4324 8.4451 8.4483 10.7635 10.7700 11.2553 11.2566 k = 0.2738 0.5000 0.2738 ( 5942 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8281 -31.8281 -31.8279 -31.8279 -7.0111 -7.0106 -6.6696 -6.6696 -6.5160 -6.5139 -6.4835 -6.4823 0.7854 0.7925 0.9181 0.9213 1.0734 1.0736 1.6655 1.6705 2.0016 2.0169 2.0693 2.0701 2.1301 2.1370 2.2797 2.2810 2.3202 2.3266 2.5181 2.5201 2.8152 2.8243 2.8862 2.8868 3.6381 3.6661 3.7964 3.8329 3.8633 3.9213 3.9310 3.9910 4.0169 4.0193 4.0459 4.0532 4.2276 4.2989 4.3290 4.3371 4.4211 4.4511 4.5564 4.6251 4.6405 4.6820 4.8059 4.8527 5.7881 5.7994 5.9257 5.9315 5.9614 5.9761 7.7512 7.7571 7.7974 7.8072 8.1758 8.1773 8.4131 8.4140 8.4299 8.4341 10.7870 10.7933 11.3267 11.3282 k = 0.2619 0.5000 0.2619 ( 5942 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8281 -31.8281 -31.8279 -31.8279 -7.0289 -7.0284 -6.6742 -6.6742 -6.5054 -6.5032 -6.4743 -6.4730 0.7828 0.7901 0.9281 0.9314 1.0964 1.0966 1.6717 1.6773 1.9941 2.0090 2.0624 2.0647 2.1249 2.1311 2.2880 2.2896 2.3277 2.3348 2.4999 2.5014 2.8282 2.8365 2.8980 2.8982 3.6300 3.6582 3.7964 3.8277 3.8610 3.9183 3.9385 3.9891 4.0155 4.0201 4.0479 4.0586 4.2330 4.3033 4.3318 4.3456 4.4186 4.4557 4.5479 4.6163 4.6600 4.7005 4.8261 4.8771 5.7495 5.7644 5.8961 5.9036 5.9274 5.9468 7.7433 7.7495 7.7785 7.7897 8.1563 8.1595 8.3945 8.3948 8.4148 8.4198 10.8100 10.8161 11.3994 11.4012 k = 0.2500 0.5000 0.2500 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8281 -31.8281 -31.8278 -31.8278 -7.0464 -7.0459 -6.6790 -6.6790 -6.4946 -6.4924 -6.4650 -6.4637 0.7793 0.7867 0.9376 0.9409 1.1185 1.1192 1.6766 1.6828 1.9874 2.0020 2.0562 2.0598 2.1198 2.1253 2.2971 2.2991 2.3356 2.3432 2.4821 2.4832 2.8426 2.8500 2.9100 2.9102 3.6224 3.6502 3.7958 3.8227 3.8587 3.9143 3.9466 3.9859 4.0141 4.0207 4.0499 4.0650 4.2392 4.3080 4.3333 4.3546 4.4155 4.4600 4.5371 4.6050 4.6820 4.7200 4.8458 4.9010 5.7097 5.7285 5.8683 5.8764 5.8966 5.9198 7.7359 7.7424 7.7583 7.7708 8.1393 8.1443 8.3751 8.3751 8.3999 8.4055 10.8323 10.8381 11.4730 11.4752 k = 0.2381 0.5000 0.2381 ( 5946 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8281 -31.8281 -31.8278 -31.8278 -7.0636 -7.0630 -6.6839 -6.6839 -6.4838 -6.4816 -6.4559 -6.4546 0.7749 0.7824 0.9464 0.9497 1.1397 1.1408 1.6803 1.6871 1.9817 1.9961 2.0509 2.0555 2.1147 2.1198 2.3069 2.3093 2.3441 2.3519 2.4650 2.4656 2.8583 2.8647 2.9223 2.9230 3.6155 3.6423 3.7945 3.8178 3.8567 3.9095 3.9550 3.9817 4.0129 4.0213 4.0521 4.0721 4.2462 4.3128 4.3334 4.3635 4.4122 4.4630 4.5253 4.5918 4.7061 4.7404 4.8650 4.9241 5.6685 5.6912 5.8425 5.8493 5.8705 5.8954 7.7289 7.7352 7.7374 7.7506 8.1249 8.1316 8.3549 8.3551 8.3852 8.3913 10.8536 10.8591 11.5472 11.5498 k = 0.2262 0.5000 0.2262 ( 5950 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8281 -31.8281 -31.8278 -31.8278 -7.0804 -7.0798 -6.6889 -6.6889 -6.4729 -6.4707 -6.4468 -6.4455 0.7697 0.7772 0.9544 0.9577 1.1597 1.1613 1.6830 1.6902 1.9771 1.9913 2.0464 2.0518 2.1098 2.1144 2.3171 2.3198 2.3530 2.3608 2.4488 2.4488 2.8754 2.8807 2.9351 2.9363 3.6092 3.6344 3.7925 3.8130 3.8549 3.9042 3.9636 3.9763 4.0120 4.0217 4.0544 4.0799 4.2535 4.3178 4.3320 4.3709 4.4100 4.4632 4.5150 4.5770 4.7318 4.7616 4.8835 4.9464 5.6255 5.6518 5.8190 5.8225 5.8495 5.8740 7.7144 7.7219 7.7298 7.7300 8.1130 8.1213 8.3347 8.3349 8.3709 8.3773 10.8736 10.8787 11.6214 11.6247 k = 0.2143 0.5000 0.2143 ( 5954 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8281 -31.8281 -31.8278 -31.8278 -7.0966 -7.0961 -6.6939 -6.6939 -6.4621 -6.4600 -6.4378 -6.4366 0.7636 0.7711 0.9616 0.9649 1.1785 1.1806 1.6846 1.6922 1.9737 1.9877 2.0427 2.0488 2.1050 2.1093 2.3274 2.3305 2.3622 2.3697 2.4330 2.4338 2.8939 2.8978 2.9485 2.9503 3.6035 3.6268 3.7897 3.8084 3.8535 3.8984 3.9697 3.9727 4.0113 4.0221 4.0567 4.0879 4.2608 4.3226 4.3293 4.3745 4.4112 4.4579 4.5090 4.5609 4.7589 4.7835 4.9013 4.9678 5.5809 5.6105 5.7974 5.7980 5.8326 5.8556 7.6916 7.7059 7.7179 7.7241 8.1034 8.1131 8.3146 8.3148 8.3570 8.3635 10.8923 10.8969 11.6951 11.6993 k = 0.2024 0.5000 0.2024 ( 5950 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8281 -31.8281 -31.8277 -31.8277 -7.1124 -7.1118 -6.6990 -6.6990 -6.4514 -6.4493 -6.4290 -6.4278 0.7568 0.7642 0.9680 0.9712 1.1960 1.1984 1.6853 1.6931 1.9715 1.9855 2.0399 2.0463 2.1003 2.1045 2.3375 2.3409 2.3717 2.3785 2.4186 2.4203 2.9135 2.9161 2.9624 2.9648 3.5985 3.6193 3.7860 3.8040 3.8523 3.8926 3.9630 3.9811 4.0109 4.0225 4.0591 4.0961 4.2677 4.3253 4.3272 4.3726 4.4174 4.4472 4.5083 4.5442 4.7868 4.8059 4.9183 4.9878 5.5348 5.5673 5.7748 5.7794 5.8192 5.8403 7.6683 7.6835 7.7122 7.7188 8.0959 8.1067 8.2950 8.2951 8.3435 8.3502 10.9093 10.9134 11.7676 11.7730 k = 0.1905 0.5000 0.1905 ( 5944 PWs) bands (ev): -58.2073 -58.2073 -32.6512 -32.6512 -31.8281 -31.8281 -31.8277 -31.8277 -7.1275 -7.1270 -6.7040 -6.7040 -6.4409 -6.4389 -6.4205 -6.4193 0.7493 0.7566 0.9736 0.9767 1.2119 1.2148 1.6853 1.6931 1.9707 1.9845 2.0378 2.0445 2.0958 2.0999 2.3466 2.3506 2.3807 2.3865 2.4064 2.4094 2.9342 2.9354 2.9768 2.9799 3.5940 3.6121 3.7816 3.7996 3.8515 3.8870 3.9555 3.9896 4.0107 4.0230 4.0616 4.1041 4.2732 4.3203 4.3310 4.3670 4.4270 4.4338 4.5109 4.5273 4.8152 4.8285 4.9343 5.0065 5.4878 5.5227 5.7550 5.7635 5.8087 5.8277 7.6451 7.6606 7.7073 7.7140 8.0900 8.1017 8.2761 8.2764 8.3306 8.3373 10.9245 10.9281 11.8370 11.8450 k = 0.1786 0.5000 0.1786 ( 5944 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8281 -31.8281 -31.8277 -31.8277 -7.1420 -7.1415 -6.7090 -6.7090 -6.4307 -6.4287 -6.4122 -6.4110 0.7413 0.7484 0.9783 0.9813 1.2264 1.2296 1.6845 1.6922 1.9712 1.9850 2.0365 2.0431 2.0915 2.0956 2.3534 2.3584 2.3858 2.3907 2.4007 2.4054 2.9556 2.9557 2.9918 2.9956 3.5899 3.6050 3.7765 3.7954 3.8511 3.8817 3.9478 3.9979 4.0108 4.0236 4.0641 4.1116 4.2762 4.3144 4.3330 4.3600 4.4210 4.4382 4.5111 4.5152 4.8435 4.8511 4.9494 5.0233 5.4401 5.4771 5.7383 5.7503 5.8006 5.8176 7.6221 7.6376 7.7028 7.7095 8.0851 8.0976 8.2585 8.2590 8.3183 8.3249 10.9378 10.9409 11.8876 11.8981 k = 0.1667 0.5000 0.1667 ( 5930 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8276 -31.8276 -7.1559 -7.1554 -6.7138 -6.7138 -6.4207 -6.4188 -6.4041 -6.4030 0.7329 0.7397 0.9823 0.9852 1.2393 1.2427 1.6831 1.6907 1.9730 1.9868 2.0359 2.0423 2.0874 2.0915 2.3555 2.3610 2.3856 2.3907 2.4062 2.4107 2.9766 2.9780 3.0074 3.0119 3.5861 3.5980 3.7708 3.7912 3.8510 3.8771 3.9399 4.0058 4.0113 4.0242 4.0664 4.1185 4.2756 4.3073 4.3316 4.3537 4.4114 4.4496 4.4970 4.5203 4.8712 4.8735 4.9633 5.0383 5.3921 5.4310 5.7249 5.7400 5.7946 5.8096 7.5997 7.6149 7.6988 7.7054 8.0809 8.0938 8.2426 8.2433 8.3067 8.3131 10.9491 10.9517 11.8347 11.8434 k = 0.1548 0.5000 0.1548 ( 5946 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8276 -31.8276 -7.1689 -7.1685 -6.7185 -6.7185 -6.4111 -6.4093 -6.3965 -6.3954 0.7241 0.7307 0.9855 0.9882 1.2506 1.2543 1.6812 1.6885 1.9760 1.9899 2.0358 2.0419 2.0834 2.0877 2.3518 2.3560 2.3899 2.3939 2.4150 2.4187 2.9982 3.0006 3.0235 3.0287 3.5823 3.5910 3.7648 3.7871 3.8510 3.8732 3.9320 4.0108 4.0143 4.0250 4.0682 4.1244 4.2710 4.2979 4.3252 4.3491 4.4073 4.4593 4.4876 4.5258 4.8952 4.8975 4.9761 5.0509 5.3443 5.3847 5.7148 5.7328 5.7902 5.8035 7.5779 7.5927 7.6951 7.7016 8.0765 8.0896 8.2291 8.2300 8.2957 8.3019 10.9584 10.9603 11.7603 11.7720 k = 0.1429 0.5000 0.1429 ( 5938 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8276 -31.8276 -7.1812 -7.1808 -6.7230 -6.7230 -6.4020 -6.4002 -6.3891 -6.3882 0.7152 0.7214 0.9880 0.9906 1.2605 1.2642 1.6790 1.6859 1.9803 1.9941 2.0362 2.0418 2.0797 2.0842 2.3451 2.3479 2.3971 2.4001 2.4239 2.4269 3.0202 3.0235 3.0401 3.0461 3.5783 3.5840 3.7589 3.7832 3.8512 3.8703 3.9244 4.0119 4.0213 4.0259 4.0695 4.1293 4.2635 4.2855 4.3154 4.3443 4.4092 4.4626 4.4887 4.5317 4.9162 4.9221 4.9877 5.0610 5.2971 5.3389 5.7082 5.7287 5.7874 5.7989 7.5571 7.5713 7.6919 7.6981 8.0716 8.0845 8.2186 8.2194 8.2855 8.2915 10.9655 10.9668 11.6869 11.6997 k = 0.1310 0.5000 0.1310 ( 5942 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8276 -31.8276 -7.1927 -7.1923 -6.7273 -6.7272 -6.3933 -6.3916 -6.3822 -6.3813 0.7064 0.7122 0.9899 0.9923 1.2689 1.2727 1.6764 1.6828 1.9855 1.9992 2.0370 2.0421 2.0762 2.0810 2.3374 2.3394 2.4051 2.4072 2.4325 2.4350 3.0422 3.0461 3.0571 3.0640 3.5739 3.5768 3.7533 3.7793 3.8512 3.8687 3.9171 4.0128 4.0271 4.0283 4.0698 4.1327 4.2540 4.2708 4.3041 4.3366 4.4162 4.4619 4.4987 4.5377 4.9362 4.9443 4.9982 5.0684 5.2508 5.2938 5.7052 5.7279 5.7857 5.7954 7.5375 7.5509 7.6890 7.6949 8.0655 8.0779 8.2113 8.2119 8.2760 8.2817 10.9704 10.9712 11.6159 11.6292 k = 0.1190 0.5000 0.1190 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8275 -31.8275 -7.2033 -7.2029 -6.7313 -6.7312 -6.3851 -6.3836 -6.3758 -6.3749 0.6977 0.7030 0.9913 0.9935 1.2761 1.2798 1.6737 1.6796 1.9915 2.0051 2.0382 2.0426 2.0729 2.0780 2.3298 2.3314 2.4128 2.4142 2.4404 2.4426 3.0641 3.0683 3.0745 3.0823 3.5687 3.5694 3.7485 3.7755 3.8511 3.8685 3.9102 4.0137 4.0284 4.0351 4.0688 4.1347 4.2436 4.2550 4.2922 4.3256 4.4269 4.4634 4.5115 4.5438 4.9549 4.9637 5.0077 5.0729 5.2061 5.2497 5.7056 5.7299 5.7849 5.7929 7.5191 7.5316 7.6864 7.6920 8.0583 8.0698 8.2073 8.2074 8.2674 8.2726 10.9731 10.9733 11.5483 11.5618 k = 0.1071 0.5000 0.1071 ( 5928 PWs) bands (ev): -58.2073 -58.2073 -32.6511 -32.6511 -31.8280 -31.8280 -31.8275 -31.8275 -7.2130 -7.2126 -6.7350 -6.7350 -6.3776 -6.3761 -6.3698 -6.3691 0.6893 0.6942 0.9922 0.9943 1.2820 1.2856 1.6709 1.6762 1.9981 2.0115 2.0396 2.0434 2.0699 2.0753 2.3227 2.3240 2.4202 2.4210 2.4477 2.4496 3.0854 3.0897 3.0921 3.1008 3.5617 3.5627 3.7448 3.7719 3.8510 3.8697 3.9040 4.0146 4.0301 4.0418 4.0665 4.1352 4.2319 4.2403 4.2803 4.3116 4.4401 4.4683 4.5250 4.5499 4.9722 4.9798 5.0164 5.0744 5.1637 5.2072 5.7091 5.7346 5.7848 5.7912 7.5021 7.5137 7.6842 7.6894 8.0501 8.0605 8.2058 8.2060 8.2596 8.2644 10.9731 10.9735 11.4853 11.4986 k = 0.0952 0.5000 0.0952 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8275 -31.8275 -7.2217 -7.2214 -6.7384 -6.7384 -6.3707 -6.3694 -6.3644 -6.3637 0.6813 0.6858 0.9928 0.9946 1.2869 1.2902 1.6681 1.6728 2.0049 2.0181 2.0412 2.0444 2.0671 2.0728 2.3161 2.3173 2.4270 2.4273 2.4542 2.4560 3.1058 3.1097 3.1099 3.1192 3.5537 3.5556 3.7422 3.7685 3.8509 3.8721 3.8983 4.0148 4.0321 4.0482 4.0629 4.1339 4.2178 4.2292 4.2687 4.2958 4.4549 4.4760 4.5384 4.5557 4.9879 4.9922 5.0245 5.0722 5.1247 5.1667 5.7152 5.7413 5.7853 5.7900 7.4867 7.4972 7.6823 7.6870 8.0413 8.0504 8.2063 8.2069 8.2526 8.2569 10.9708 10.9716 11.4278 11.4407 k = 0.0833 0.5000 0.0833 ( 5942 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8275 -31.8275 -7.2295 -7.2292 -6.7415 -6.7414 -6.3644 -6.3633 -6.3595 -6.3589 0.6740 0.6780 0.9931 0.9947 1.2909 1.2939 1.6654 1.6695 2.0118 2.0246 2.0429 2.0457 2.0647 2.0705 2.3102 2.3112 2.4329 2.4331 2.4600 2.4616 3.1249 3.1274 3.1289 3.1370 3.5454 3.5477 3.7410 3.7654 3.8513 3.8755 3.8933 4.0136 4.0343 4.0534 4.0597 4.1310 4.2026 4.2214 4.2575 4.2792 4.4709 4.4856 4.5513 4.5610 5.0012 5.0020 5.0319 5.0629 5.0936 5.1287 5.7234 5.7494 5.7863 5.7892 7.4728 7.4822 7.6806 7.6849 8.0323 8.0403 8.2084 8.2092 8.2465 8.2502 10.9663 10.9675 11.3767 11.3889 k = 0.0714 0.5000 0.0714 ( 5936 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8275 -31.8275 -7.2363 -7.2361 -6.7442 -6.7442 -6.3590 -6.3579 -6.3552 -6.3547 0.6674 0.6709 0.9932 0.9945 1.2940 1.2967 1.6630 1.6664 2.0184 2.0306 2.0447 2.0472 2.0627 2.0684 2.3050 2.3059 2.4380 2.4385 2.4650 2.4665 3.1422 3.1447 3.1465 3.1537 3.5369 3.5391 3.7408 3.7625 3.8523 3.8801 3.8887 4.0098 4.0370 4.0529 4.0630 4.1267 4.1883 4.2161 4.2464 4.2632 4.4876 4.4964 4.5634 4.5656 5.0072 5.0138 5.0378 5.0403 5.0782 5.0944 5.7329 5.7582 5.7877 5.7887 7.4607 7.4688 7.6793 7.6831 8.0238 8.0306 8.2116 8.2124 8.2413 8.2444 10.9601 10.9613 11.3328 11.3440 k = 0.0595 0.5000 0.0595 ( 5934 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8275 -31.8275 -7.2421 -7.2419 -6.7465 -6.7465 -6.3542 -6.3534 -6.3515 -6.3510 0.6617 0.6646 0.9931 0.9943 1.2965 1.2988 1.6607 1.6636 2.0244 2.0358 2.0466 2.0490 2.0612 2.0665 2.3004 2.3013 2.4424 2.4431 2.4692 2.4707 3.1580 3.1606 3.1625 3.1685 3.5286 3.5304 3.7416 3.7599 3.8539 3.8847 3.8858 4.0022 4.0401 4.0516 4.0690 4.1210 4.1754 4.2128 4.2340 4.2495 4.5045 4.5079 4.5693 4.5739 5.0095 5.0107 5.0276 5.0381 5.0683 5.0702 5.7429 5.7666 5.7886 5.7894 7.4504 7.4572 7.6782 7.6814 8.0160 8.0216 8.2152 8.2158 8.2370 8.2394 10.9525 10.9537 11.2966 11.3064 k = 0.0476 0.5000 0.0476 ( 5930 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2468 -7.2467 -6.7484 -6.7484 -6.3503 -6.3496 -6.3484 -6.3480 0.6569 0.6593 0.9930 0.9939 1.2984 1.3003 1.6589 1.6612 2.0295 2.0396 2.0487 2.0511 2.0602 2.0647 2.2966 2.2974 2.4460 2.4469 2.4727 2.4740 3.1723 3.1746 3.1765 3.1812 3.5207 3.5219 3.7429 3.7575 3.8560 3.8810 3.8928 3.9912 4.0437 4.0523 4.0749 4.1146 4.1650 4.2113 4.2195 4.2396 4.5194 4.5212 4.5717 4.5823 4.9860 5.0087 5.0271 5.0351 5.0602 5.0636 5.7524 5.7737 5.7892 5.7912 7.4420 7.4475 7.6775 7.6800 8.0093 8.0138 8.2187 8.2190 8.2337 8.2352 10.9442 10.9453 11.2681 11.2762 k = 0.0357 0.5000 0.0357 ( 5922 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2506 -7.2504 -6.7499 -6.7499 -6.3473 -6.3467 -6.3459 -6.3457 0.6532 0.6549 0.9929 0.9936 1.2999 1.3013 1.6575 1.6591 2.0336 2.0418 2.0509 2.0533 2.0598 2.0630 2.2937 2.2943 2.4490 2.4498 2.4755 2.4766 3.1845 3.1861 3.1881 3.1912 3.5137 3.5144 3.7446 3.7554 3.8586 3.8776 3.9013 3.9780 4.0476 4.0544 4.0798 4.1077 4.1581 4.2043 4.2113 4.2322 4.5305 4.5368 4.5729 4.5878 4.9669 4.9926 5.0236 5.0409 5.0583 5.0607 5.7609 5.7780 5.7909 5.7933 7.4355 7.4397 7.6769 7.6789 8.0040 8.0073 8.2215 8.2218 8.2314 8.2320 10.9363 10.9371 11.2470 11.2532 k = 0.0238 0.5000 0.0238 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2532 -7.2531 -6.7510 -6.7510 -6.3451 -6.3448 -6.3441 -6.3439 0.6506 0.6517 0.9928 0.9933 1.3009 1.3019 1.6565 1.6576 2.0367 2.0424 2.0530 2.0553 2.0598 2.0615 2.2915 2.2920 2.4512 2.4518 2.4776 2.4783 3.1940 3.1948 3.1967 3.1983 3.5081 3.5084 3.7464 3.7535 3.8616 3.8743 3.9112 3.9637 4.0515 4.0568 4.0834 4.1008 4.1558 4.1897 4.2124 4.2263 4.5405 4.5498 4.5736 4.5898 4.9542 4.9738 5.0257 5.0419 5.0566 5.0617 5.7677 5.7793 5.7937 5.7952 7.4311 7.4339 7.6766 7.6780 8.0002 8.0024 8.2232 8.2241 8.2298 8.2301 10.9297 10.9303 11.2328 11.2370 k = 0.0119 0.5000 0.0119 ( 5926 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2548 -7.2548 -6.7517 -6.7517 -6.3438 -6.3436 -6.3429 -6.3428 0.6491 0.6497 0.9928 0.9930 1.3017 1.3021 1.6560 1.6565 2.0391 2.0420 2.0549 2.0565 2.0600 2.0603 2.2903 2.2905 2.4526 2.4529 2.4789 2.4793 3.2003 3.2005 3.2018 3.2023 3.5045 3.5046 3.7482 3.7517 3.8647 3.8711 3.9227 3.9493 4.0552 4.0582 4.0862 4.0946 4.1586 4.1766 4.2146 4.2215 4.5490 4.5565 4.5765 4.5879 4.9487 4.9592 5.0293 5.0383 5.0585 5.0618 5.7728 5.7785 5.7960 5.7966 7.4287 7.4301 7.6766 7.6773 7.9981 7.9992 8.2240 8.2249 8.2291 8.2296 10.9254 10.9257 11.2250 11.2271 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.2073 -58.2073 -32.6510 -32.6510 -31.8280 -31.8280 -31.8274 -31.8274 -7.2553 -7.2553 -6.7519 -6.7519 -6.3433 -6.3433 -6.3425 -6.3425 0.6488 0.6488 0.9929 0.9929 1.3021 1.3021 1.6560 1.6560 2.0409 2.0409 2.0563 2.0563 2.0600 2.0600 2.2900 2.2900 2.4532 2.4532 2.4795 2.4795 3.2030 3.2030 3.2030 3.2030 3.5033 3.5033 3.7500 3.7500 3.8679 3.8679 3.9355 3.9355 4.0577 4.0577 4.0897 4.0897 4.1659 4.1659 4.2177 4.2177 4.5551 4.5551 4.5827 4.5827 4.9505 4.9505 5.0337 5.0337 5.0606 5.0606 5.7764 5.7764 5.7970 5.7970 7.4283 7.4283 7.6768 7.6768 7.9978 7.9978 8.2246 8.2246 8.2293 8.2293 10.9240 10.9240 11.2231 11.2231 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8277 -31.8277 -6.9661 -6.9661 -6.6529 -6.6529 -6.6454 -6.6454 -6.4379 -6.4379 1.0026 1.0026 1.0116 1.0116 1.0490 1.0490 1.9064 1.9064 1.9980 1.9980 2.0327 2.0327 2.0633 2.0633 2.0767 2.0767 2.3918 2.3918 2.5194 2.5194 2.7049 2.7049 2.7190 2.7190 3.6395 3.6395 3.8313 3.8313 3.8561 3.8561 3.9654 3.9654 4.0292 4.0292 4.1723 4.1723 4.2100 4.2100 4.5356 4.5356 4.5500 4.5500 4.6188 4.6188 4.6796 4.6796 4.7624 4.7624 5.4384 5.4384 5.4591 5.4591 6.2195 6.2195 7.6361 7.6361 7.8631 7.8631 7.9943 7.9943 8.4112 8.4112 8.4186 8.4186 11.5057 11.5057 11.5096 11.5096 k = 0.5000 0.5000 0.0167 ( 5920 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8277 -31.8277 -6.9657 -6.9657 -6.6528 -6.6528 -6.6454 -6.6454 -6.4382 -6.4382 1.0019 1.0019 1.0108 1.0108 1.0482 1.0482 1.9030 1.9030 2.0003 2.0003 2.0330 2.0330 2.0638 2.0638 2.0771 2.0771 2.3915 2.3915 2.5206 2.5206 2.7050 2.7050 2.7192 2.7192 3.6398 3.6398 3.8315 3.8315 3.8558 3.8558 3.9656 3.9656 4.0293 4.0293 4.1713 4.1713 4.2091 4.2091 4.5347 4.5347 4.5498 4.5498 4.6187 4.6187 4.6790 4.6790 4.7625 4.7625 5.4405 5.4405 5.4623 5.4623 6.2199 6.2199 7.6354 7.6354 7.8658 7.8658 7.9943 7.9943 8.4117 8.4117 8.4191 8.4191 11.5031 11.5031 11.5070 11.5070 k = 0.5000 0.5000 0.0333 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8277 -31.8277 -6.9646 -6.9646 -6.6527 -6.6527 -6.6453 -6.6453 -6.4391 -6.4391 0.9996 0.9996 1.0085 1.0085 1.0457 1.0457 1.8937 1.8937 2.0064 2.0064 2.0338 2.0338 2.0652 2.0652 2.0784 2.0784 2.3907 2.3907 2.5239 2.5239 2.7054 2.7054 2.7196 2.7196 3.6411 3.6411 3.8322 3.8322 3.8548 3.8548 3.9662 3.9662 4.0296 4.0296 4.1681 4.1681 4.2065 4.2065 4.5320 4.5320 4.5491 4.5491 4.6185 4.6185 4.6771 4.6771 4.7628 4.7628 5.4468 5.4468 5.4715 5.4715 6.2212 6.2212 7.6335 7.6335 7.8740 7.8740 7.9940 7.9940 8.4134 8.4134 8.4207 8.4207 11.4954 11.4954 11.4992 11.4992 k = 0.5000 0.5000 0.0500 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8277 -31.8277 -6.9626 -6.9626 -6.6525 -6.6525 -6.6451 -6.6451 -6.4406 -6.4406 0.9959 0.9959 1.0048 1.0048 1.0416 1.0416 1.8804 1.8804 2.0144 2.0144 2.0354 2.0354 2.0675 2.0675 2.0805 2.0805 2.3894 2.3894 2.5295 2.5295 2.7060 2.7060 2.7205 2.7205 3.6431 3.6431 3.8333 3.8333 3.8532 3.8532 3.9673 3.9673 4.0302 4.0302 4.1630 4.1630 4.2023 4.2023 4.5279 4.5279 4.5478 4.5478 4.6180 4.6180 4.6741 4.6741 4.7632 4.7632 5.4578 5.4578 5.4862 5.4862 6.2233 6.2233 7.6308 7.6308 7.8869 7.8869 7.9937 7.9937 8.4162 8.4162 8.4234 8.4234 11.4825 11.4825 11.4862 11.4862 k = 0.5000 0.5000 0.0667 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8277 -31.8277 -6.9599 -6.9599 -6.6522 -6.6522 -6.6448 -6.6448 -6.4426 -6.4426 0.9908 0.9908 0.9997 0.9997 1.0359 1.0359 1.8645 1.8645 2.0228 2.0228 2.0379 2.0379 2.0707 2.0707 2.0834 2.0834 2.3876 2.3876 2.5371 2.5371 2.7070 2.7070 2.7216 2.7216 3.6458 3.6458 3.8349 3.8349 3.8510 3.8510 3.9687 3.9687 4.0311 4.0311 4.1562 4.1562 4.1967 4.1967 4.5228 4.5228 4.5457 4.5457 4.6168 4.6168 4.6701 4.6701 4.7636 4.7636 5.4735 5.4735 5.5059 5.5059 6.2263 6.2263 7.6280 7.6280 7.9040 7.9040 7.9934 7.9934 8.4200 8.4200 8.4272 8.4272 11.4646 11.4646 11.4680 11.4680 k = 0.5000 0.5000 0.0833 ( 5956 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8277 -31.8277 -6.9564 -6.9564 -6.6518 -6.6518 -6.6444 -6.6444 -6.4453 -6.4453 0.9844 0.9844 0.9933 0.9933 1.0287 1.0287 1.8469 1.8469 2.0302 2.0302 2.0421 2.0421 2.0747 2.0747 2.0871 2.0871 2.3853 2.3853 2.5464 2.5464 2.7082 2.7082 2.7230 2.7230 3.6493 3.6493 3.8370 3.8370 3.8482 3.8482 3.9703 3.9703 4.0321 4.0321 4.1480 4.1480 4.1901 4.1901 4.5168 4.5168 4.5428 4.5428 4.6147 4.6147 4.6652 4.6652 4.7638 4.7638 5.4941 5.4941 5.5301 5.5301 6.2300 6.2300 7.6257 7.6257 7.9244 7.9244 7.9932 7.9932 8.4248 8.4248 8.4319 8.4319 11.4416 11.4416 11.4448 11.4448 k = 0.5000 0.5000 0.1000 ( 5960 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8278 -31.8278 -6.9522 -6.9522 -6.6513 -6.6513 -6.6440 -6.6440 -6.4485 -6.4485 0.9767 0.9767 0.9856 0.9856 1.0201 1.0201 1.8283 1.8283 2.0357 2.0357 2.0484 2.0484 2.0794 2.0794 2.0916 2.0916 2.3825 2.3825 2.5572 2.5572 2.7097 2.7097 2.7248 2.7248 3.6536 3.6536 3.8394 3.8394 3.8451 3.8451 3.9721 3.9721 4.0333 4.0333 4.1386 4.1386 4.1828 4.1828 4.5102 4.5102 4.5393 4.5393 4.6114 4.6114 4.6594 4.6594 4.7635 4.7635 5.5192 5.5192 5.5584 5.5584 6.2345 6.2345 7.6243 7.6243 7.9469 7.9469 7.9937 7.9937 8.4306 8.4306 8.4375 8.4375 11.4138 11.4138 11.4167 11.4167 k = 0.5000 0.5000 0.1167 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8278 -31.8278 -6.9472 -6.9472 -6.6507 -6.6507 -6.6435 -6.6435 -6.4523 -6.4523 0.9680 0.9680 0.9769 0.9769 1.0102 1.0102 1.8089 1.8089 2.0400 2.0400 2.0561 2.0561 2.0847 2.0847 2.0969 2.0969 2.3793 2.3793 2.5691 2.5691 2.7114 2.7114 2.7268 2.7268 3.6586 3.6586 3.8409 3.8409 3.8428 3.8428 3.9739 3.9739 4.0345 4.0345 4.1284 4.1284 4.1753 4.1753 4.5030 4.5030 4.5352 4.5352 4.6067 4.6067 4.6531 4.6531 4.7627 4.7627 5.5486 5.5486 5.5903 5.5903 6.2398 6.2398 7.6244 7.6244 7.9682 7.9682 7.9979 7.9979 8.4371 8.4371 8.4439 8.4439 11.3814 11.3814 11.3839 11.3839 k = 0.5000 0.5000 0.1333 ( 5956 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8278 -31.8278 -6.9416 -6.9416 -6.6501 -6.6501 -6.6430 -6.6430 -6.4566 -6.4566 0.9583 0.9583 0.9671 0.9671 0.9991 0.9991 1.7892 1.7892 2.0440 2.0440 2.0642 2.0642 2.0905 2.0905 2.1028 2.1028 2.3755 2.3755 2.5820 2.5820 2.7133 2.7133 2.7291 2.7291 3.6642 3.6642 3.8373 3.8373 3.8456 3.8456 3.9758 3.9758 4.0357 4.0357 4.1175 4.1175 4.1682 4.1682 4.4952 4.4952 4.5305 4.5305 4.6006 4.6006 4.6462 4.6462 4.7611 4.7611 5.5820 5.5820 5.6254 5.6254 6.2456 6.2456 7.6262 7.6262 7.9791 7.9791 8.0145 8.0145 8.4444 8.4444 8.4510 8.4510 11.3447 11.3447 11.3468 11.3468 k = 0.5000 0.5000 0.1500 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8278 -31.8278 -6.9352 -6.9352 -6.6494 -6.6494 -6.6424 -6.6424 -6.4615 -6.4615 0.9477 0.9477 0.9565 0.9565 0.9870 0.9870 1.7693 1.7693 2.0481 2.0481 2.0723 2.0723 2.0967 2.0967 2.1093 2.1093 2.3713 2.3713 2.5954 2.5954 2.7154 2.7154 2.7316 2.7316 3.6703 3.6703 3.8331 3.8331 3.8491 3.8491 3.9775 3.9775 4.0366 4.0366 4.1063 4.1063 4.1619 4.1619 4.4870 4.4870 4.5255 4.5255 4.5932 4.5932 4.6388 4.6388 4.7586 4.7586 5.6188 5.6188 5.6634 5.6634 6.2521 6.2521 7.6299 7.6299 7.9810 7.9810 8.0418 8.0418 8.4523 8.4523 8.4587 8.4587 11.3040 11.3040 11.3057 11.3057 k = 0.5000 0.5000 0.1667 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8278 -31.8278 -6.9282 -6.9282 -6.6486 -6.6486 -6.6417 -6.6417 -6.4670 -6.4670 0.9364 0.9364 0.9451 0.9451 0.9739 0.9739 1.7493 1.7493 2.0524 2.0524 2.0804 2.0804 2.1033 2.1033 2.1164 2.1164 2.3667 2.3667 2.6092 2.6092 2.7176 2.7176 2.7343 2.7343 3.6768 3.6768 3.8287 3.8287 3.8529 3.8529 3.9790 3.9790 4.0371 4.0371 4.0948 4.0948 4.1568 4.1568 4.4783 4.4783 4.5202 4.5202 4.5845 4.5845 4.6311 4.6311 4.7550 4.7550 5.6587 5.6587 5.7038 5.7038 6.2590 6.2590 7.6357 7.6357 7.9805 7.9805 8.0728 8.0728 8.4607 8.4607 8.4668 8.4668 11.2598 11.2598 11.2612 11.2612 k = 0.5000 0.5000 0.1833 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8279 -31.8279 -6.9206 -6.9206 -6.6478 -6.6478 -6.6410 -6.6410 -6.4730 -6.4730 0.9245 0.9245 0.9332 0.9332 0.9602 0.9602 1.7294 1.7294 2.0571 2.0571 2.0884 2.0884 2.1100 2.1100 2.1240 2.1240 2.3617 2.3617 2.6230 2.6230 2.7200 2.7200 2.7372 2.7372 3.6835 3.6835 3.8244 3.8244 3.8569 3.8569 3.9803 3.9803 4.0370 4.0370 4.0836 4.0836 4.1535 4.1535 4.4691 4.4691 4.5146 4.5146 4.5746 4.5746 4.6230 4.6230 4.7502 4.7502 5.7011 5.7011 5.7464 5.7464 6.2664 6.2664 7.6436 7.6436 7.9792 7.9792 8.1057 8.1057 8.4693 8.4693 8.4753 8.4753 11.2127 11.2127 11.2139 11.2139 k = 0.5000 0.5000 0.2000 ( 5956 PWs) bands (ev): -58.2073 -58.2073 -32.6513 -32.6513 -31.8283 -31.8283 -31.8279 -31.8279 -6.9123 -6.9123 -6.6469 -6.6469 -6.6403 -6.6403 -6.4796 -6.4796 0.9122 0.9122 0.9208 0.9208 0.9459 0.9459 1.7098 1.7098 2.0621 2.0621 2.0964 2.0964 2.1169 2.1169 2.1319 2.1319 2.3564 2.3564 2.6367 2.6367 2.7225 2.7225 2.7403 2.7403 3.6902 3.6902 3.8202 3.8202 3.8610 3.8610 3.9813 3.9813 4.0359 4.0359 4.0729 4.0729 4.1521 4.1521 4.4596 4.4596 4.5088 4.5088 4.5636 4.5636 4.6146 4.6146 4.7440 4.7440 5.7456 5.7456 5.7905 5.7905 6.2742 6.2742 7.6538 7.6538 7.9775 7.9775 8.1397 8.1397 8.4782 8.4782 8.4840 8.4840 11.1631 11.1631 11.1643 11.1643 k = 0.5000 0.5000 0.2167 ( 5952 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8283 -31.8283 -31.8279 -31.8279 -6.9034 -6.9034 -6.6461 -6.6461 -6.6395 -6.6395 -6.4866 -6.4866 0.8997 0.8997 0.9082 0.9082 0.9313 0.9313 1.6906 1.6906 2.0675 2.0675 2.1044 2.1044 2.1239 2.1239 2.1402 2.1402 2.3506 2.3506 2.6500 2.6500 2.7252 2.7252 2.7434 2.7434 3.6969 3.6969 3.8164 3.8164 3.8653 3.8653 3.9819 3.9819 4.0336 4.0336 4.0633 4.0633 4.1528 4.1528 4.4497 4.4497 4.5030 4.5030 4.5520 4.5520 4.6060 4.6060 4.7365 4.7365 5.7917 5.7917 5.8360 5.8360 6.2822 6.2822 7.6661 7.6661 7.9756 7.9756 8.1744 8.1744 8.4871 8.4871 8.4927 8.4927 11.1117 11.1117 11.1132 11.1132 k = 0.5000 0.5000 0.2333 ( 5952 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8283 -31.8283 -31.8280 -31.8280 -6.8941 -6.8941 -6.6452 -6.6452 -6.6388 -6.6388 -6.4942 -6.4942 0.8870 0.8870 0.8954 0.8954 0.9164 0.9164 1.6718 1.6718 2.0731 2.0731 2.1124 2.1124 2.1309 2.1309 2.1486 2.1486 2.3445 2.3445 2.6627 2.6627 2.7279 2.7279 2.7467 2.7467 3.7030 3.7030 3.8134 3.8134 3.8696 3.8696 3.9819 3.9819 4.0299 4.0299 4.0553 4.0553 4.1556 4.1556 4.4397 4.4397 4.4972 4.4972 4.5397 4.5397 4.5972 4.5972 4.7275 4.7275 5.8389 5.8389 5.8823 5.8823 6.2904 6.2904 7.6805 7.6805 7.9735 7.9735 8.2094 8.2094 8.4959 8.4959 8.5013 8.5013 11.0592 11.0592 11.0611 11.0611 k = 0.5000 0.5000 0.2500 ( 5952 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8283 -31.8283 -31.8280 -31.8280 -6.8842 -6.8842 -6.6443 -6.6443 -6.6380 -6.6380 -6.5022 -6.5022 0.8743 0.8743 0.8826 0.8826 0.9015 0.9015 1.6536 1.6536 2.0791 2.0791 2.1204 2.1204 2.1378 2.1378 2.1571 2.1571 2.3381 2.3381 2.6748 2.6748 2.7306 2.7306 2.7500 2.7500 3.7083 3.7083 3.8114 3.8114 3.8739 3.8739 3.9811 3.9811 4.0251 4.0251 4.0492 4.0492 4.1604 4.1604 4.4295 4.4295 4.4914 4.4914 4.5270 4.5270 4.5881 4.5881 4.7171 4.7171 5.8868 5.8868 5.9290 5.9290 6.2988 6.2988 7.6969 7.6969 7.9714 7.9714 8.2445 8.2445 8.5045 8.5045 8.5097 8.5097 11.0063 11.0063 11.0086 11.0086 k = 0.5000 0.5000 0.2667 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8283 -31.8283 -31.8280 -31.8280 -6.8738 -6.8738 -6.6433 -6.6433 -6.6372 -6.6372 -6.5107 -6.5107 0.8617 0.8617 0.8700 0.8700 0.8868 0.8868 1.6361 1.6361 2.0854 2.0854 2.1285 2.1285 2.1446 2.1446 2.1655 2.1655 2.3314 2.3314 2.6861 2.6861 2.7334 2.7334 2.7534 2.7534 3.7124 3.7124 3.8109 3.8109 3.8782 3.8782 3.9793 3.9793 4.0199 4.0199 4.0449 4.0449 4.1670 4.1670 4.4193 4.4193 4.4858 4.4858 4.5143 4.5143 4.5789 4.5789 4.7053 4.7053 5.9348 5.9348 5.9757 5.9757 6.3071 6.3071 7.7150 7.7150 7.9692 7.9692 8.2793 8.2793 8.5127 8.5127 8.5177 8.5177 10.9536 10.9536 10.9563 10.9563 k = 0.5000 0.5000 0.2833 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8283 -31.8283 -31.8280 -31.8280 -6.8631 -6.8631 -6.6424 -6.6424 -6.6365 -6.6365 -6.5197 -6.5197 0.8494 0.8494 0.8576 0.8576 0.8724 0.8724 1.6194 1.6194 2.0920 2.0920 2.1365 2.1365 2.1512 2.1512 2.1738 2.1738 2.3245 2.3245 2.6966 2.6966 2.7361 2.7361 2.7568 2.7568 3.7151 3.7151 3.8120 3.8120 3.8823 3.8823 3.9760 3.9760 4.0155 4.0155 4.0416 4.0416 4.1753 4.1753 4.4093 4.4093 4.4802 4.4802 4.5017 4.5017 4.5697 4.5697 4.6920 4.6920 5.9825 5.9825 6.0220 6.0220 6.3155 6.3155 7.7347 7.7347 7.9670 7.9670 8.3133 8.3133 8.5205 8.5205 8.5253 8.5253 10.9018 10.9018 10.9049 10.9049 k = 0.5000 0.5000 0.3000 ( 5924 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8283 -31.8283 -31.8281 -31.8281 -6.8520 -6.8520 -6.6415 -6.6415 -6.6357 -6.6357 -6.5290 -6.5290 0.8374 0.8374 0.8457 0.8457 0.8585 0.8585 1.6034 1.6034 2.0988 2.0988 2.1444 2.1444 2.1575 2.1575 2.1819 2.1819 2.3174 2.3174 2.7062 2.7062 2.7388 2.7388 2.7602 2.7602 3.7162 3.7162 3.8148 3.8148 3.8863 3.8863 3.9713 3.9713 4.0125 4.0125 4.0390 4.0390 4.1850 4.1850 4.3995 4.3995 4.4744 4.4744 4.4898 4.4898 4.5604 4.5604 4.6774 4.6774 6.0294 6.0294 6.0674 6.0674 6.3237 6.3237 7.7556 7.7556 7.9648 7.9648 8.3464 8.3464 8.5276 8.5276 8.5322 8.5322 10.8513 10.8513 10.8549 10.8549 k = 0.5000 0.5000 0.3167 ( 5944 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8283 -31.8283 -31.8281 -31.8281 -6.8406 -6.8406 -6.6407 -6.6407 -6.6350 -6.6350 -6.5387 -6.5387 0.8259 0.8259 0.8342 0.8342 0.8452 0.8452 1.5884 1.5884 2.1059 2.1059 2.1522 2.1522 2.1635 2.1635 2.1895 2.1895 2.3100 2.3100 2.7148 2.7148 2.7414 2.7414 2.7634 2.7634 3.7160 3.7160 3.8191 3.8191 3.8899 3.8899 3.9654 3.9654 4.0108 4.0108 4.0368 4.0368 4.1961 4.1961 4.3900 4.3900 4.4675 4.4675 4.4796 4.4796 4.5511 4.5511 4.6614 4.6614 6.0750 6.0750 6.1114 6.1114 6.3316 6.3316 7.7775 7.7775 7.9626 7.9626 8.3781 8.3781 8.5340 8.5340 8.5385 8.5385 10.8028 10.8028 10.8068 10.8068 k = 0.5000 0.5000 0.3333 ( 5944 PWs) bands (ev): -58.2073 -58.2073 -32.6514 -32.6514 -31.8283 -31.8283 -31.8281 -31.8281 -6.8289 -6.8289 -6.6399 -6.6399 -6.6343 -6.6343 -6.5487 -6.5487 0.8151 0.8151 0.8234 0.8234 0.8326 0.8326 1.5744 1.5744 2.1132 2.1132 2.1598 2.1598 2.1691 2.1691 2.1968 2.1968 2.3026 2.3026 2.7225 2.7225 2.7439 2.7439 2.7666 2.7666 3.7146 3.7146 3.8246 3.8246 3.8932 3.8932 3.9588 3.9588 4.0102 4.0102 4.0350 4.0350 4.2083 4.2083 4.3810 4.3810 4.4588 4.4588 4.4724 4.4724 4.5420 4.5420 4.6443 4.6443 6.1189 6.1189 6.1536 6.1536 6.3393 6.3393 7.7998 7.7998 7.9605 7.9605 8.4081 8.4081 8.5398 8.5398 8.5441 8.5441 10.7569 10.7569 10.7612 10.7612 k = 0.5000 0.5000 0.3500 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8282 -31.8282 -6.8171 -6.8171 -6.6391 -6.6391 -6.6337 -6.6337 -6.5589 -6.5589 0.8049 0.8049 0.8133 0.8133 0.8210 0.8210 1.5615 1.5615 2.1206 2.1206 2.1670 2.1670 2.1743 2.1743 2.2035 2.2035 2.2951 2.2951 2.7293 2.7293 2.7462 2.7462 2.7697 2.7697 3.7125 3.7125 3.8311 3.8311 3.8963 3.8963 3.9519 3.9519 4.0103 4.0103 4.0333 4.0333 4.2216 4.2216 4.3726 4.3726 4.4488 4.4488 4.4675 4.4675 4.5331 4.5331 4.6262 4.6262 6.1605 6.1605 6.1934 6.1934 6.3468 6.3468 7.8223 7.8223 7.9586 7.9586 8.4361 8.4361 8.5447 8.5447 8.5489 8.5489 10.7138 10.7138 10.7184 10.7184 k = 0.5000 0.5000 0.3667 ( 5948 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8282 -31.8282 -6.8052 -6.8052 -6.6384 -6.6384 -6.6331 -6.6331 -6.5694 -6.5694 0.7954 0.7954 0.8040 0.8040 0.8103 0.8103 1.5497 1.5497 2.1281 2.1281 2.1738 2.1738 2.1792 2.1792 2.2096 2.2096 2.2877 2.2877 2.7352 2.7352 2.7484 2.7484 2.7726 2.7726 3.7100 3.7100 3.8381 3.8381 3.8990 3.8990 3.9450 3.9450 4.0110 4.0110 4.0319 4.0319 4.2358 4.2358 4.3649 4.3649 4.4390 4.4390 4.4641 4.4641 4.5245 4.5245 4.6073 4.6073 6.1994 6.1994 6.2304 6.2304 6.3540 6.3540 7.8444 7.8444 7.9567 7.9567 8.4617 8.4617 8.5489 8.5489 8.5529 8.5529 10.6742 10.6742 10.6791 10.6791 k = 0.5000 0.5000 0.3833 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8282 -31.8282 -6.7934 -6.7934 -6.6378 -6.6378 -6.6325 -6.6325 -6.5799 -6.5799 0.7868 0.7868 0.7957 0.7957 0.8007 0.8007 1.5391 1.5391 2.1357 2.1357 2.1796 2.1796 2.1838 2.1838 2.2149 2.2149 2.2804 2.2804 2.7403 2.7403 2.7504 2.7504 2.7753 2.7753 3.7074 3.7074 3.8455 3.8455 3.9013 3.9013 3.9383 3.9383 4.0120 4.0120 4.0306 4.0306 4.2507 4.2507 4.3580 4.3580 4.4300 4.4300 4.4615 4.4615 4.5162 4.5162 4.5877 4.5877 6.2351 6.2351 6.2639 6.2639 6.3609 6.3609 7.8657 7.8657 7.9550 7.9550 8.4848 8.4848 8.5523 8.5523 8.5562 8.5562 10.6384 10.6384 10.6433 10.6433 k = 0.5000 0.5000 0.4000 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8282 -31.8282 -6.7817 -6.7817 -6.6372 -6.6372 -6.6321 -6.6321 -6.5903 -6.5903 0.7792 0.7792 0.7883 0.7883 0.7922 0.7922 1.5299 1.5299 2.1434 2.1434 2.1840 2.1840 2.1888 2.1888 2.2193 2.2193 2.2735 2.2735 2.7446 2.7446 2.7522 2.7522 2.7777 2.7777 3.7048 3.7048 3.8529 3.8529 3.9033 3.9033 3.9318 3.9318 4.0132 4.0132 4.0293 4.0293 4.2660 4.2660 4.3520 4.3520 4.4223 4.4223 4.4597 4.4597 4.5083 4.5083 4.5677 4.5677 6.2671 6.2671 6.2933 6.2933 6.3678 6.3678 7.8856 7.8856 7.9535 7.9535 8.5051 8.5051 8.5550 8.5550 8.5587 8.5587 10.6066 10.6066 10.6116 10.6116 k = 0.5000 0.5000 0.4167 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8282 -31.8282 -6.7705 -6.7705 -6.6368 -6.6368 -6.6316 -6.6316 -6.6005 -6.6005 0.7726 0.7726 0.7820 0.7820 0.7850 0.7850 1.5219 1.5219 2.1509 2.1509 2.1869 2.1869 2.1940 2.1940 2.2225 2.2225 2.2671 2.2671 2.7481 2.7481 2.7537 2.7537 2.7798 2.7798 3.7024 3.7024 3.8603 3.8603 3.9049 3.9049 3.9253 3.9253 4.0146 4.0146 4.0280 4.0280 4.2813 4.2813 4.3468 4.3468 4.4162 4.4162 4.4585 4.4585 4.5009 4.5009 4.5477 4.5477 6.2951 6.2951 6.3177 6.3177 6.3750 6.3750 7.9036 7.9036 7.9521 7.9521 8.5223 8.5223 8.5571 8.5571 8.5607 8.5607 10.5793 10.5793 10.5841 10.5841 k = 0.5000 0.5000 0.4333 ( 5940 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8282 -31.8282 -6.7600 -6.7600 -6.6365 -6.6365 -6.6313 -6.6313 -6.6101 -6.6101 0.7670 0.7670 0.7768 0.7768 0.7790 0.7790 1.5153 1.5153 2.1583 2.1583 2.1885 2.1885 2.1991 2.1991 2.2243 2.2243 2.2618 2.2618 2.7509 2.7509 2.7550 2.7550 2.7816 2.7816 3.7003 3.7003 3.8675 3.8675 3.9062 3.9062 3.9191 3.9191 4.0159 4.0159 4.0268 4.0268 4.2959 4.2959 4.3425 4.3425 4.4123 4.4123 4.4579 4.4579 4.4942 4.4942 4.5282 4.5282 6.3186 6.3186 6.3364 6.3364 6.3828 6.3828 7.9192 7.9192 7.9510 7.9510 8.5365 8.5365 8.5586 8.5586 8.5622 8.5622 10.5566 10.5566 10.5609 10.5609 k = 0.5000 0.5000 0.4500 ( 5932 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7505 -6.7505 -6.6363 -6.6363 -6.6310 -6.6310 -6.6186 -6.6186 0.7626 0.7626 0.7727 0.7727 0.7743 0.7743 1.5102 1.5102 2.1654 2.1654 2.1890 2.1890 2.2038 2.2038 2.2244 2.2244 2.2577 2.2577 2.7532 2.7532 2.7559 2.7559 2.7830 2.7830 3.6986 3.6986 3.8746 3.8746 3.9072 3.9072 3.9131 3.9131 4.0174 4.0174 4.0255 4.0255 4.3090 4.3090 4.3390 4.3390 4.4111 4.4111 4.4576 4.4576 4.4882 4.4882 4.5100 4.5100 6.3373 6.3373 6.3491 6.3491 6.3912 6.3912 7.9318 7.9318 7.9501 7.9501 8.5475 8.5475 8.5597 8.5597 8.5633 8.5633 10.5387 10.5387 10.5420 10.5420 k = 0.5000 0.5000 0.4667 ( 5920 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7428 -6.7428 -6.6365 -6.6365 -6.6308 -6.6308 -6.6254 -6.6254 0.7595 0.7595 0.7698 0.7698 0.7708 0.7708 1.5065 1.5065 2.1720 2.1720 2.1882 2.1882 2.2082 2.2082 2.2228 2.2228 2.2552 2.2552 2.7548 2.7548 2.7565 2.7565 2.7840 2.7840 3.6974 3.6974 3.8814 3.8814 3.9062 3.9062 3.9087 3.9087 4.0188 4.0188 4.0243 4.0243 4.3196 4.3196 4.3363 4.3363 4.4127 4.4127 4.4569 4.4569 4.4832 4.4832 4.4945 4.4945 6.3508 6.3508 6.3566 6.3566 6.3988 6.3988 7.9412 7.9412 7.9495 7.9495 8.5552 8.5552 8.5604 8.5604 8.5641 8.5641 10.5259 10.5259 10.5277 10.5277 k = 0.5000 0.5000 0.4833 ( 5904 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7377 -6.7377 -6.6372 -6.6372 -6.6307 -6.6307 -6.6294 -6.6294 0.7575 0.7575 0.7682 0.7682 0.7687 0.7687 1.5043 1.5043 2.1778 2.1778 2.1861 2.1861 2.2124 2.2124 2.2199 2.2199 2.2540 2.2540 2.7560 2.7560 2.7568 2.7568 2.7846 2.7846 3.6967 3.6967 3.8880 3.8880 3.9006 3.9006 3.9087 3.9087 4.0203 4.0203 4.0230 4.0230 4.3270 4.3270 4.3341 4.3341 4.4164 4.4164 4.4548 4.4548 4.4799 4.4799 4.4841 4.4841 6.3590 6.3590 6.3606 6.3606 6.4042 6.4042 7.9470 7.9470 7.9491 7.9491 8.5595 8.5595 8.5608 8.5608 8.5649 8.5649 10.5181 10.5181 10.5188 10.5188 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.2073 -58.2073 -32.6515 -32.6515 -31.8283 -31.8283 -31.8283 -31.8283 -6.7358 -6.7358 -6.6377 -6.6377 -6.6307 -6.6307 -6.6307 -6.6307 0.7569 0.7569 0.7678 0.7678 0.7678 0.7678 1.5035 1.5035 2.1826 2.1826 2.1826 2.1826 2.2163 2.2163 2.2163 2.2163 2.2537 2.2537 2.7566 2.7566 2.7566 2.7566 2.7848 2.7848 3.6964 3.6964 3.8944 3.8944 3.8944 3.8944 3.9088 3.9088 4.0216 4.0216 4.0216 4.0216 4.3314 4.3314 4.3314 4.3314 4.4187 4.4187 4.4531 4.4531 4.4797 4.4797 4.4797 4.4797 6.3618 6.3618 6.3618 6.3618 6.4061 6.4061 7.9489 7.9489 7.9489 7.9489 8.5608 8.5608 8.5608 8.5608 8.5654 8.5654 10.5157 10.5157 10.5157 10.5157 Writing output data file VCu3S4.save init_run : 4.93s CPU 11.67s WALL ( 1 calls) electrons : 1723.96s CPU 1739.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.43s CPU 1.53s WALL ( 1 calls) Called by electrons: c_bands : 1723.90s CPU 1739.50s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.90s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.08s CPU 0.59s WALL ( 1 calls) newd : 1.47s CPU 1.70s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.19s WALL ( 231 calls) cegterg : 1662.03s CPU 1675.12s WALL ( 846 calls) Called by sum_band: Called by *egterg: h_psi : 532.71s CPU 544.31s WALL ( 16537 calls) s_psi : 103.79s CPU 104.41s WALL ( 16537 calls) g_psi : 1.32s CPU 1.28s WALL ( 15460 calls) cdiaghg : 784.69s CPU 782.32s WALL ( 15691 calls) cegterg:over : 133.70s CPU 128.87s WALL ( 15460 calls) cegterg:upda : 37.71s CPU 41.29s WALL ( 15460 calls) cegterg:last : 26.42s CPU 26.90s WALL ( 1770 calls) Called by h_psi: h_psi:vloc : 342.99s CPU 351.53s WALL ( 16537 calls) h_psi:vnl : 189.05s CPU 191.37s WALL ( 16537 calls) add_vuspsi : 77.28s CPU 82.57s WALL ( 16537 calls) General routines calbec : 111.68s CPU 108.65s WALL ( 16537 calls) fft : 0.50s CPU 1.20s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 298.84s CPU 303.88s WALL ( 1731152 calls) interpolate : 0.13s CPU 0.13s WALL ( 4 calls) davcio : 0.02s CPU 1.37s WALL ( 462 calls) Parallel routines fft_scatter : 200.73s CPU 198.90s WALL ( 1731175 calls) PWSCF : 29m53.30s CPU 31m54.33s WALL This run was terminated on: 18:11:16 1Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=