Program PWSCF v.5.1.1 starts on 2Nov2015 at 0: 3:50 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 110 32 9 6072 970 149 Max 111 33 10 6075 997 154 Sum 5321 1581 457 291539 47257 7249 bravais-lattice index = 14 lattice parameter (alat) = 10.1686 a.u. unit-cell volume = 1051.4424 (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)= 10.168616 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: 291539 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 47257 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 252, 84) NL pseudopotentials 0.52 Mb ( 126, 272) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 6074) G-vector shells 0.01 Mb ( 1127) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.29 Mb ( 252, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.70 Mb ( 272, 2, 84) The potential is recalculated from file : ./VCu3S4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.6 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.9 secs Computing kpt #: 3 c_bands: 2 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 81.8 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.0 secs Computing kpt #: 6 total cpu time spent up to now is 100.6 secs Computing kpt #: 7 total cpu time spent up to now is 108.7 secs Computing kpt #: 8 total cpu time spent up to now is 115.7 secs Computing kpt #: 9 total cpu time spent up to now is 121.5 secs Computing kpt #: 10 total cpu time spent up to now is 127.1 secs Computing kpt #: 11 total cpu time spent up to now is 132.4 secs Computing kpt #: 12 total cpu time spent up to now is 137.8 secs Computing kpt #: 13 total cpu time spent up to now is 143.2 secs Computing kpt #: 14 total cpu time spent up to now is 148.4 secs Computing kpt #: 15 total cpu time spent up to now is 153.6 secs Computing kpt #: 16 total cpu time spent up to now is 158.7 secs Computing kpt #: 17 total cpu time spent up to now is 163.8 secs Computing kpt #: 18 total cpu time spent up to now is 169.1 secs Computing kpt #: 19 total cpu time spent up to now is 174.3 secs Computing kpt #: 20 total cpu time spent up to now is 179.5 secs Computing kpt #: 21 total cpu time spent up to now is 184.5 secs Computing kpt #: 22 total cpu time spent up to now is 189.5 secs Computing kpt #: 23 total cpu time spent up to now is 194.6 secs Computing kpt #: 24 total cpu time spent up to now is 199.6 secs Computing kpt #: 25 total cpu time spent up to now is 204.7 secs Computing kpt #: 26 total cpu time spent up to now is 209.8 secs Computing kpt #: 27 total cpu time spent up to now is 214.9 secs Computing kpt #: 28 total cpu time spent up to now is 219.9 secs Computing kpt #: 29 total cpu time spent up to now is 225.0 secs Computing kpt #: 30 total cpu time spent up to now is 230.1 secs Computing kpt #: 31 total cpu time spent up to now is 235.1 secs Computing kpt #: 32 total cpu time spent up to now is 240.1 secs Computing kpt #: 33 total cpu time spent up to now is 245.3 secs Computing kpt #: 34 total cpu time spent up to now is 250.3 secs Computing kpt #: 35 total cpu time spent up to now is 255.4 secs Computing kpt #: 36 total cpu time spent up to now is 260.8 secs Computing kpt #: 37 total cpu time spent up to now is 266.1 secs Computing kpt #: 38 total cpu time spent up to now is 271.4 secs Computing kpt #: 39 total cpu time spent up to now is 276.7 secs Computing kpt #: 40 total cpu time spent up to now is 282.2 secs Computing kpt #: 41 total cpu time spent up to now is 287.6 secs Computing kpt #: 42 total cpu time spent up to now is 293.2 secs Computing kpt #: 43 total cpu time spent up to now is 299.2 secs Computing kpt #: 44 total cpu time spent up to now is 305.2 secs Computing kpt #: 45 total cpu time spent up to now is 311.6 secs Computing kpt #: 46 total cpu time spent up to now is 318.3 secs Computing kpt #: 47 total cpu time spent up to now is 325.8 secs Computing kpt #: 48 total cpu time spent up to now is 334.4 secs Computing kpt #: 49 total cpu time spent up to now is 342.4 secs Computing kpt #: 50 total cpu time spent up to now is 350.1 secs Computing kpt #: 51 total cpu time spent up to now is 356.9 secs Computing kpt #: 52 total cpu time spent up to now is 363.4 secs Computing kpt #: 53 total cpu time spent up to now is 369.7 secs Computing kpt #: 54 total cpu time spent up to now is 375.5 secs Computing kpt #: 55 total cpu time spent up to now is 381.1 secs Computing kpt #: 56 total cpu time spent up to now is 386.8 secs Computing kpt #: 57 total cpu time spent up to now is 392.5 secs Computing kpt #: 58 total cpu time spent up to now is 398.2 secs Computing kpt #: 59 total cpu time spent up to now is 403.8 secs Computing kpt #: 60 total cpu time spent up to now is 409.4 secs Computing kpt #: 61 total cpu time spent up to now is 415.1 secs Computing kpt #: 62 total cpu time spent up to now is 420.3 secs Computing kpt #: 63 total cpu time spent up to now is 425.4 secs Computing kpt #: 64 total cpu time spent up to now is 430.9 secs Computing kpt #: 65 total cpu time spent up to now is 436.6 secs Computing kpt #: 66 total cpu time spent up to now is 442.2 secs Computing kpt #: 67 total cpu time spent up to now is 447.9 secs Computing kpt #: 68 total cpu time spent up to now is 453.7 secs Computing kpt #: 69 total cpu time spent up to now is 459.5 secs Computing kpt #: 70 total cpu time spent up to now is 465.3 secs Computing kpt #: 71 total cpu time spent up to now is 471.2 secs Computing kpt #: 72 total cpu time spent up to now is 477.2 secs Computing kpt #: 73 total cpu time spent up to now is 483.6 secs Computing kpt #: 74 total cpu time spent up to now is 493.1 secs Computing kpt #: 75 total cpu time spent up to now is 503.8 secs Computing kpt #: 76 total cpu time spent up to now is 512.1 secs Computing kpt #: 77 total cpu time spent up to now is 520.1 secs Computing kpt #: 78 total cpu time spent up to now is 528.3 secs Computing kpt #: 79 total cpu time spent up to now is 536.4 secs Computing kpt #: 80 total cpu time spent up to now is 544.7 secs Computing kpt #: 81 total cpu time spent up to now is 552.6 secs Computing kpt #: 82 total cpu time spent up to now is 560.2 secs Computing kpt #: 83 total cpu time spent up to now is 567.8 secs Computing kpt #: 84 total cpu time spent up to now is 575.3 secs Computing kpt #: 85 total cpu time spent up to now is 582.8 secs Computing kpt #: 86 total cpu time spent up to now is 590.8 secs Computing kpt #: 87 total cpu time spent up to now is 598.3 secs Computing kpt #: 88 total cpu time spent up to now is 605.9 secs Computing kpt #: 89 total cpu time spent up to now is 614.8 secs Computing kpt #: 90 total cpu time spent up to now is 623.6 secs Computing kpt #: 91 total cpu time spent up to now is 634.0 secs Computing kpt #: 92 total cpu time spent up to now is 642.8 secs Computing kpt #: 93 total cpu time spent up to now is 653.6 secs Computing kpt #: 94 total cpu time spent up to now is 663.8 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 674.6 secs Computing kpt #: 96 total cpu time spent up to now is 684.9 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 695.9 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 706.8 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 717.7 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 728.6 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 739.3 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 750.1 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.8 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 771.5 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 781.6 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 792.1 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 802.5 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 813.0 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 823.5 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 834.2 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 844.7 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 855.2 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 865.8 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 876.4 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 886.9 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 897.5 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 908.2 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 919.0 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 930.2 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 941.0 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 951.6 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 962.4 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 973.1 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 983.9 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 994.8 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1005.6 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1016.3 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1027.1 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1037.9 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1048.6 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1059.4 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1070.3 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1081.1 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1092.0 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1103.0 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1113.8 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1124.8 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1135.9 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1146.2 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1157.1 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1168.1 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1179.1 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1190.1 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1201.0 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1212.1 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1223.1 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1235.7 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1246.6 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1257.5 secs Computing kpt #: 150 total cpu time spent up to now is 1268.0 secs Computing kpt #: 151 total cpu time spent up to now is 1275.9 secs Computing kpt #: 152 total cpu time spent up to now is 1282.7 secs Computing kpt #: 153 total cpu time spent up to now is 1289.6 secs Computing kpt #: 154 total cpu time spent up to now is 1296.4 secs Computing kpt #: 155 total cpu time spent up to now is 1303.2 secs Computing kpt #: 156 total cpu time spent up to now is 1309.9 secs Computing kpt #: 157 total cpu time spent up to now is 1316.2 secs Computing kpt #: 158 total cpu time spent up to now is 1322.4 secs Computing kpt #: 159 total cpu time spent up to now is 1329.3 secs Computing kpt #: 160 total cpu time spent up to now is 1336.3 secs Computing kpt #: 161 total cpu time spent up to now is 1343.1 secs Computing kpt #: 162 total cpu time spent up to now is 1349.7 secs Computing kpt #: 163 total cpu time spent up to now is 1356.3 secs Computing kpt #: 164 total cpu time spent up to now is 1362.7 secs Computing kpt #: 165 total cpu time spent up to now is 1369.0 secs Computing kpt #: 166 total cpu time spent up to now is 1375.0 secs Computing kpt #: 167 total cpu time spent up to now is 1380.5 secs Computing kpt #: 168 total cpu time spent up to now is 1386.3 secs Computing kpt #: 169 total cpu time spent up to now is 1391.5 secs Computing kpt #: 170 total cpu time spent up to now is 1397.3 secs Computing kpt #: 171 total cpu time spent up to now is 1402.6 secs Computing kpt #: 172 total cpu time spent up to now is 1407.9 secs Computing kpt #: 173 total cpu time spent up to now is 1413.2 secs Computing kpt #: 174 total cpu time spent up to now is 1418.4 secs Computing kpt #: 175 total cpu time spent up to now is 1423.6 secs Computing kpt #: 176 total cpu time spent up to now is 1429.0 secs Computing kpt #: 177 total cpu time spent up to now is 1434.4 secs Computing kpt #: 178 total cpu time spent up to now is 1439.7 secs Computing kpt #: 179 total cpu time spent up to now is 1445.5 secs Computing kpt #: 180 total cpu time spent up to now is 1451.2 secs Computing kpt #: 181 total cpu time spent up to now is 1457.0 secs Computing kpt #: 182 total cpu time spent up to now is 1463.3 secs Computing kpt #: 183 total cpu time spent up to now is 1470.3 secs Computing kpt #: 184 total cpu time spent up to now is 1478.8 secs Computing kpt #: 185 total cpu time spent up to now is 1488.8 secs Computing kpt #: 186 total cpu time spent up to now is 1497.0 secs Computing kpt #: 187 total cpu time spent up to now is 1504.5 secs Computing kpt #: 188 total cpu time spent up to now is 1511.4 secs Computing kpt #: 189 total cpu time spent up to now is 1517.6 secs Computing kpt #: 190 total cpu time spent up to now is 1523.7 secs Computing kpt #: 191 total cpu time spent up to now is 1530.8 secs Computing kpt #: 192 total cpu time spent up to now is 1536.3 secs Computing kpt #: 193 total cpu time spent up to now is 1541.7 secs Computing kpt #: 194 total cpu time spent up to now is 1547.2 secs Computing kpt #: 195 total cpu time spent up to now is 1552.4 secs Computing kpt #: 196 total cpu time spent up to now is 1557.6 secs Computing kpt #: 197 total cpu time spent up to now is 1562.8 secs Computing kpt #: 198 total cpu time spent up to now is 1568.0 secs Computing kpt #: 199 total cpu time spent up to now is 1573.2 secs Computing kpt #: 200 total cpu time spent up to now is 1578.2 secs Computing kpt #: 201 total cpu time spent up to now is 1583.3 secs Computing kpt #: 202 total cpu time spent up to now is 1588.5 secs Computing kpt #: 203 total cpu time spent up to now is 1593.8 secs Computing kpt #: 204 total cpu time spent up to now is 1599.1 secs Computing kpt #: 205 total cpu time spent up to now is 1604.4 secs Computing kpt #: 206 total cpu time spent up to now is 1609.8 secs Computing kpt #: 207 total cpu time spent up to now is 1615.3 secs Computing kpt #: 208 total cpu time spent up to now is 1620.9 secs Computing kpt #: 209 total cpu time spent up to now is 1626.4 secs Computing kpt #: 210 total cpu time spent up to now is 1631.9 secs Computing kpt #: 211 total cpu time spent up to now is 1637.6 secs Computing kpt #: 212 total cpu time spent up to now is 1643.4 secs Computing kpt #: 213 total cpu time spent up to now is 1649.1 secs Computing kpt #: 214 total cpu time spent up to now is 1655.2 secs Computing kpt #: 215 total cpu time spent up to now is 1661.4 secs Computing kpt #: 216 total cpu time spent up to now is 1667.8 secs Computing kpt #: 217 total cpu time spent up to now is 1674.1 secs Computing kpt #: 218 total cpu time spent up to now is 1680.3 secs Computing kpt #: 219 total cpu time spent up to now is 1687.0 secs Computing kpt #: 220 total cpu time spent up to now is 1693.4 secs Computing kpt #: 221 total cpu time spent up to now is 1699.7 secs Computing kpt #: 222 total cpu time spent up to now is 1706.2 secs Computing kpt #: 223 total cpu time spent up to now is 1712.7 secs Computing kpt #: 224 total cpu time spent up to now is 1719.3 secs Computing kpt #: 225 total cpu time spent up to now is 1725.9 secs Computing kpt #: 226 total cpu time spent up to now is 1732.5 secs Computing kpt #: 227 total cpu time spent up to now is 1739.1 secs Computing kpt #: 228 total cpu time spent up to now is 1745.8 secs Computing kpt #: 229 total cpu time spent up to now is 1752.5 secs Computing kpt #: 230 total cpu time spent up to now is 1759.1 secs Computing kpt #: 231 total cpu time spent up to now is 1767.7 secs ethr = 1.43E-11, avg # of iterations = 66.4 total cpu time spent up to now is 1767.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5887 PWs) bands (ev): -58.1290 -58.1290 -32.5753 -32.5753 -31.7522 -31.7522 -31.7522 -31.7522 -7.5456 -7.5456 -6.3006 -6.3006 -6.2949 -6.2949 -6.2949 -6.2949 0.3906 0.3906 0.3906 0.3906 1.2197 1.2197 1.9576 1.9576 1.9576 1.9576 1.9909 1.9909 2.5898 2.5898 2.6308 2.6308 2.6308 2.6308 3.3545 3.3545 3.3545 3.3545 3.3573 3.3573 3.4280 3.4280 3.4280 3.4280 3.8838 3.8838 4.0000 4.0000 4.0000 4.0000 4.1476 4.1476 4.1476 4.1476 4.2206 4.2206 4.8032 4.8032 4.8965 4.8965 4.8965 4.8965 5.0513 5.0513 5.7394 5.7394 5.7394 5.7394 5.8215 5.8215 7.6056 7.6056 7.6056 7.6056 8.3005 8.3005 8.3353 8.3353 8.3353 8.3353 9.1170 9.1170 11.5020 11.5020 k = 0.0000 0.0167-0.0000 ( 5911 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7522 -31.7522 -31.7522 -31.7522 -7.5450 -7.5450 -6.3009 -6.3009 -6.2954 -6.2954 -6.2948 -6.2948 0.3912 0.3912 0.3917 0.3917 1.2204 1.2204 1.9567 1.9567 1.9582 1.9582 1.9907 1.9907 2.5892 2.5892 2.6297 2.6297 2.6305 2.6305 3.3429 3.3429 3.3546 3.3546 3.3563 3.3563 3.4274 3.4274 3.4401 3.4401 3.8838 3.8838 3.9959 3.9959 4.0040 4.0040 4.1451 4.1451 4.1503 4.1503 4.2203 4.2203 4.8029 4.8029 4.8931 4.8931 4.8991 4.8991 5.0510 5.0510 5.7383 5.7383 5.7399 5.7399 5.8211 5.8211 7.6057 7.6057 7.6061 7.6061 8.2994 8.2994 8.3328 8.3328 8.3354 8.3354 9.1242 9.1242 11.5017 11.5028 k = 0.0000 0.0333-0.0000 ( 5923 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7522 -31.7522 -31.7522 -31.7522 -7.5431 -7.5431 -6.3022 -6.3022 -6.2966 -6.2966 -6.2948 -6.2948 0.3931 0.3931 0.3949 0.3949 1.2227 1.2227 1.9547 1.9547 1.9591 1.9591 1.9904 1.9904 2.5873 2.5873 2.6268 2.6268 2.6297 2.6297 3.3175 3.3175 3.3538 3.3538 3.3553 3.3553 3.4284 3.4284 3.4636 3.4636 3.8836 3.8836 3.9916 3.9916 4.0078 4.0078 4.1423 4.1423 4.1539 4.1539 4.2197 4.2197 4.8022 4.8022 4.8887 4.8887 4.9012 4.9012 5.0504 5.0504 5.7348 5.7348 5.7411 5.7411 5.8199 5.8199 7.6062 7.6062 7.6075 7.6075 8.2951 8.2951 8.3269 8.3269 8.3356 8.3356 9.1454 9.1454 11.4943 11.4943 k = 0.0000 0.0500-0.0000 ( 5911 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7522 -31.7522 -7.5400 -7.5400 -6.3054 -6.3054 -6.2975 -6.2975 -6.2947 -6.2947 0.3963 0.3963 0.4002 0.4002 1.2266 1.2266 1.9510 1.9510 1.9605 1.9605 1.9901 1.9901 2.5841 2.5841 2.6223 2.6223 2.6285 2.6285 3.2874 3.2874 3.3525 3.3525 3.3539 3.3539 3.4302 3.4302 3.4904 3.4904 3.8834 3.8834 3.9873 3.9873 4.0117 4.0117 4.1387 4.1387 4.1587 4.1587 4.2190 4.2190 4.8010 4.8010 4.8832 4.8832 4.9031 4.9031 5.0494 5.0494 5.7288 5.7288 5.7431 5.7431 5.8183 5.8183 7.6069 7.6069 7.6099 7.6099 8.2849 8.2849 8.3213 8.3213 8.3359 8.3359 9.1792 9.1792 11.4832 11.4832 k = 0.0000 0.0667-0.0000 ( 5903 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7522 -31.7522 -7.5357 -7.5357 -6.3107 -6.3107 -6.2979 -6.2979 -6.2947 -6.2947 0.4008 0.4008 0.4077 0.4077 1.2319 1.2319 1.9454 1.9454 1.9624 1.9624 1.9904 1.9904 2.5790 2.5790 2.6166 2.6166 2.6268 2.6268 3.2550 3.2550 3.3507 3.3507 3.3520 3.3520 3.4326 3.4326 3.5181 3.5181 3.8831 3.8831 3.9830 3.9830 4.0157 4.0157 4.1340 4.1340 4.1646 4.1646 4.2184 4.2184 4.7990 4.7990 4.8765 4.8765 4.9051 4.9051 5.0481 5.0481 5.7198 5.7198 5.7458 5.7458 5.8167 5.8167 7.6078 7.6078 7.6132 7.6132 8.2682 8.2682 8.3183 8.3183 8.3363 8.3363 9.2241 9.2241 11.4690 11.4690 k = 0.0000 0.0833-0.0000 ( 5899 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7522 -31.7522 -7.5302 -7.5302 -6.3179 -6.3179 -6.2979 -6.2979 -6.2946 -6.2946 0.4064 0.4064 0.4173 0.4173 1.2388 1.2388 1.9375 1.9375 1.9649 1.9649 1.9914 1.9914 2.5715 2.5715 2.6104 2.6104 2.6247 2.6247 3.2211 3.2211 3.3484 3.3484 3.3496 3.3496 3.4356 3.4356 3.5459 3.5459 3.8825 3.8825 3.9789 3.9789 4.0199 4.0199 4.1280 4.1280 4.1711 4.1711 4.2182 4.2182 4.7960 4.7960 4.8686 4.8686 4.9075 4.9075 5.0464 5.0464 5.7078 5.7078 5.7492 5.7492 5.8155 5.8155 7.6086 7.6086 7.6174 7.6174 8.2472 8.2472 8.3173 8.3173 8.3368 8.3368 9.2782 9.2782 11.4529 11.4529 k = 0.0000 0.1000-0.0000 ( 5891 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7522 -31.7522 -7.5235 -7.5235 -6.3267 -6.3267 -6.2979 -6.2979 -6.2945 -6.2945 0.4133 0.4133 0.4289 0.4289 1.2472 1.2472 1.9274 1.9274 1.9679 1.9679 1.9932 1.9932 2.5612 2.5612 2.6042 2.6042 2.6221 2.6221 3.1861 3.1861 3.3456 3.3456 3.3466 3.3466 3.4392 3.4392 3.5736 3.5736 3.8816 3.8816 3.9751 3.9751 4.0242 4.0242 4.1209 4.1209 4.1779 4.1779 4.2189 4.2189 4.7919 4.7919 4.8596 4.8596 4.9104 4.9104 5.0444 5.0444 5.6926 5.6926 5.7532 5.7532 5.8150 5.8150 7.6093 7.6093 7.6223 7.6223 8.2243 8.2243 8.3172 8.3172 8.3373 8.3373 9.3401 9.3401 11.4358 11.4358 k = 0.0000 0.1167-0.0000 ( 5891 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7522 -31.7522 -7.5157 -7.5157 -6.3371 -6.3371 -6.2978 -6.2978 -6.2944 -6.2944 0.4213 0.4213 0.4425 0.4425 1.2570 1.2570 1.9150 1.9150 1.9713 1.9713 1.9958 1.9958 2.5480 2.5480 2.5983 2.5983 2.6190 2.6190 3.1500 3.1500 3.3425 3.3425 3.3433 3.3433 3.4433 3.4433 3.6010 3.6010 3.8803 3.8803 3.9717 3.9717 4.0288 4.0288 4.1125 4.1125 4.1842 4.1842 4.2210 4.2210 4.7865 4.7865 4.8495 4.8495 4.9140 4.9140 5.0422 5.0422 5.6745 5.6745 5.7576 5.7576 5.8151 5.8151 7.6096 7.6096 7.6279 7.6279 8.2011 8.2011 8.3176 8.3176 8.3377 8.3377 9.4083 9.4083 11.4184 11.4184 k = 0.0000 0.1333-0.0000 ( 5879 PWs) bands (ev): -58.1290 -58.1290 -32.5753 -32.5753 -31.7523 -31.7523 -31.7522 -31.7522 -7.5067 -7.5067 -6.3489 -6.3489 -6.2976 -6.2976 -6.2942 -6.2942 0.4305 0.4305 0.4581 0.4581 1.2684 1.2684 1.9004 1.9004 1.9752 1.9752 1.9990 1.9990 2.5319 2.5319 2.5928 2.5928 2.6155 2.6155 3.1128 3.1128 3.3389 3.3389 3.3396 3.3396 3.4480 3.4480 3.6280 3.6280 3.8787 3.8787 3.9691 3.9691 4.0335 4.0335 4.1033 4.1033 4.1895 4.1895 4.2252 4.2252 4.7799 4.7799 4.8386 4.8386 4.9183 4.9183 5.0397 5.0397 5.6537 5.6537 5.7625 5.7625 5.8160 5.8160 7.6092 7.6092 7.6342 7.6342 8.1786 8.1786 8.3182 8.3182 8.3381 8.3381 9.4819 9.4819 11.4013 11.4013 k = 0.0000 0.1500-0.0000 ( 5883 PWs) bands (ev): -58.1290 -58.1290 -32.5753 -32.5753 -31.7524 -31.7524 -31.7522 -31.7522 -7.4967 -7.4967 -6.3622 -6.3622 -6.2974 -6.2974 -6.2941 -6.2941 0.4407 0.4407 0.4756 0.4756 1.2813 1.2813 1.8839 1.8839 1.9795 1.9795 2.0028 2.0028 2.5135 2.5135 2.5874 2.5874 2.6117 2.6117 3.0748 3.0748 3.3349 3.3349 3.3356 3.3356 3.4529 3.4529 3.6547 3.6547 3.8767 3.8767 3.9671 3.9671 4.0382 4.0382 4.0933 4.0933 4.1932 4.1932 4.2314 4.2314 4.7721 4.7721 4.8269 4.8269 4.9232 4.9232 5.0370 5.0370 5.6307 5.6307 5.7677 5.7677 5.8173 5.8173 7.6082 7.6082 7.6410 7.6410 8.1577 8.1577 8.3187 8.3187 8.3382 8.3382 9.5598 9.5598 11.3852 11.3852 k = 0.0000 0.1667-0.0000 ( 5911 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7524 -31.7524 -31.7522 -31.7522 -7.4855 -7.4855 -6.3768 -6.3768 -6.2972 -6.2972 -6.2939 -6.2939 0.4519 0.4519 0.4949 0.4949 1.2955 1.2955 1.8655 1.8655 1.9843 1.9843 2.0071 2.0071 2.4929 2.4929 2.5820 2.5820 2.6074 2.6074 3.0357 3.0357 3.3306 3.3306 3.3313 3.3313 3.4582 3.4582 3.6807 3.6807 3.8744 3.8744 3.9658 3.9658 4.0425 4.0425 4.0832 4.0832 4.1957 4.1957 4.2391 4.2391 4.7632 4.7632 4.8146 4.8146 4.9286 4.9286 5.0341 5.0341 5.6057 5.6057 5.7730 5.7730 5.8191 5.8191 7.6061 7.6061 7.6481 7.6481 8.1388 8.1388 8.3193 8.3193 8.3382 8.3382 9.6412 9.6412 11.3703 11.3703 k = 0.0000 0.1833-0.0000 ( 5903 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7524 -31.7524 -31.7522 -31.7522 -7.4734 -7.4734 -6.3926 -6.3926 -6.2970 -6.2970 -6.2938 -6.2938 0.4640 0.4640 0.5161 0.5161 1.3112 1.3112 1.8453 1.8453 1.9894 1.9894 2.0119 2.0119 2.4706 2.4706 2.5765 2.5765 2.6028 2.6028 2.9959 2.9959 3.3261 3.3261 3.3268 3.3268 3.4638 3.4638 3.7063 3.7063 3.8720 3.8720 3.9651 3.9651 4.0455 4.0455 4.0742 4.0742 4.1975 4.1975 4.2479 4.2479 4.7534 4.7534 4.8019 4.8019 4.9344 4.9344 5.0313 5.0313 5.5794 5.5794 5.7785 5.7785 5.8212 5.8212 7.6032 7.6032 7.6557 7.6557 8.1222 8.1222 8.3197 8.3197 8.3380 8.3380 9.7255 9.7255 11.3568 11.3568 k = 0.0000 0.2000-0.0000 ( 5899 PWs) bands (ev): -58.1290 -58.1290 -32.5753 -32.5753 -31.7524 -31.7524 -31.7522 -31.7522 -7.4603 -7.4603 -6.4095 -6.4095 -6.2967 -6.2967 -6.2936 -6.2936 0.4769 0.4769 0.5389 0.5389 1.3283 1.3283 1.8235 1.8235 1.9950 1.9950 2.0172 2.0172 2.4469 2.4469 2.5709 2.5709 2.5980 2.5980 2.9552 2.9552 3.3213 3.3213 3.3222 3.3222 3.4696 3.4696 3.7312 3.7312 3.8697 3.8697 3.9651 3.9651 4.0444 4.0444 4.0692 4.0692 4.1988 4.1988 4.2571 4.2571 4.7430 4.7430 4.7889 4.7889 4.9405 4.9405 5.0284 5.0284 5.5519 5.5519 5.7841 5.7841 5.8237 5.8237 7.5992 7.5992 7.6635 7.6635 8.1080 8.1080 8.3199 8.3199 8.3375 8.3375 9.8121 9.8121 11.3450 11.3450 k = 0.0000 0.2167-0.0000 ( 5906 PWs) bands (ev): -58.1291 -58.1291 -32.5754 -32.5754 -31.7525 -31.7525 -31.7522 -31.7522 -7.4464 -7.4464 -6.4274 -6.4274 -6.2964 -6.2964 -6.2934 -6.2934 0.4906 0.4906 0.5633 0.5633 1.3467 1.3467 1.8000 1.8000 2.0007 2.0007 2.0227 2.0227 2.4221 2.4221 2.5652 2.5652 2.5929 2.5929 2.9139 2.9139 3.3163 3.3163 3.3174 3.3174 3.4755 3.4755 3.7549 3.7549 3.8679 3.8679 3.9656 3.9656 4.0374 4.0374 4.0700 4.0700 4.2000 4.2000 4.2662 4.2662 4.7321 4.7321 4.7758 4.7758 4.9467 4.9467 5.0256 5.0256 5.5236 5.5236 5.7897 5.7897 5.8262 5.8262 7.5942 7.5942 7.6714 7.6714 8.0962 8.0962 8.3199 8.3199 8.3367 8.3367 9.9003 9.9003 11.3349 11.3349 k = 0.0000 0.2333-0.0000 ( 5898 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7525 -31.7525 -31.7522 -31.7522 -7.4315 -7.4315 -6.4463 -6.4463 -6.2961 -6.2961 -6.2932 -6.2932 0.5049 0.5049 0.5893 0.5893 1.3664 1.3664 1.7751 1.7751 2.0067 2.0067 2.0285 2.0285 2.3963 2.3963 2.5593 2.5593 2.5876 2.5876 2.8720 2.8720 3.3112 3.3112 3.3126 3.3126 3.4816 3.4816 3.7768 3.7768 3.8675 3.8675 3.9665 3.9665 4.0275 4.0275 4.0741 4.0741 4.2010 4.2010 4.2749 4.2749 4.7210 4.7210 4.7628 4.7628 4.9529 4.9529 5.0229 5.0229 5.4948 5.4948 5.7951 5.7951 5.8290 5.8290 7.5884 7.5884 7.6794 7.6794 8.0868 8.0868 8.3196 8.3196 8.3356 8.3356 9.9896 9.9896 11.3266 11.3266 k = 0.0000 0.2500-0.0000 ( 5918 PWs) bands (ev): -58.1291 -58.1291 -32.5754 -32.5754 -31.7525 -31.7525 -31.7522 -31.7522 -7.4160 -7.4160 -6.4659 -6.4659 -6.2958 -6.2958 -6.2931 -6.2931 0.5198 0.5198 0.6166 0.6166 1.3872 1.3872 1.7489 1.7489 2.0129 2.0129 2.0344 2.0344 2.3699 2.3699 2.5532 2.5532 2.5820 2.5820 2.8295 2.8295 3.3061 3.3061 3.3076 3.3076 3.4877 3.4877 3.7954 3.7954 3.8697 3.8697 3.9677 3.9677 4.0167 4.0167 4.0792 4.0792 4.2021 4.2021 4.2828 4.2828 4.7096 4.7096 4.7498 4.7498 4.9591 4.9591 5.0205 5.0205 5.4657 5.4657 5.8003 5.8003 5.8317 5.8317 7.5818 7.5818 7.6873 7.6873 8.0796 8.0796 8.3191 8.3191 8.3342 8.3342 10.0794 10.0794 11.3199 11.3199 k = 0.0000 0.2667-0.0000 ( 5898 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7526 -31.7526 -31.7522 -31.7522 -7.3998 -7.3998 -6.4862 -6.4862 -6.2955 -6.2955 -6.2929 -6.2929 0.5350 0.5350 0.6452 0.6452 1.4092 1.4092 1.7215 1.7215 2.0193 2.0193 2.0406 2.0406 2.3431 2.3431 2.5471 2.5471 2.5765 2.5765 2.7869 2.7869 3.3011 3.3011 3.3027 3.3027 3.4937 3.4937 3.8089 3.8089 3.8767 3.8767 3.9692 3.9692 4.0061 4.0061 4.0847 4.0847 4.2032 4.2032 4.2900 4.2900 4.6985 4.6985 4.7372 4.7372 4.9652 4.9652 5.0184 5.0184 5.4368 5.4368 5.8054 5.8054 5.8346 5.8346 7.5746 7.5746 7.6951 7.6951 8.0742 8.0742 8.3184 8.3184 8.3326 8.3326 10.1692 10.1692 11.3149 11.3149 k = 0.0000 0.2833-0.0000 ( 5890 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7526 -31.7526 -31.7522 -31.7522 -7.3831 -7.3831 -6.5069 -6.5069 -6.2952 -6.2952 -6.2927 -6.2927 0.5504 0.5504 0.6751 0.6751 1.4320 1.4320 1.6932 1.6932 2.0258 2.0258 2.0469 2.0469 2.3163 2.3163 2.5409 2.5409 2.5708 2.5708 2.7441 2.7441 3.2961 3.2961 3.2979 3.2979 3.4998 3.4998 3.8160 3.8160 3.8893 3.8893 3.9709 3.9709 3.9961 3.9961 4.0904 4.0904 4.2043 4.2043 4.2960 4.2960 4.6875 4.6875 4.7250 4.7250 4.9712 4.9712 5.0169 5.0169 5.4080 5.4080 5.8102 5.8102 5.8374 5.8374 7.5671 7.5671 7.7027 7.7027 8.0705 8.0705 8.3174 8.3174 8.3307 8.3307 10.2583 10.2583 11.3113 11.3113 k = 0.0000 0.3000-0.0000 ( 5902 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7526 -31.7526 -31.7522 -31.7522 -7.3660 -7.3660 -6.5280 -6.5280 -6.2949 -6.2949 -6.2926 -6.2926 0.5660 0.5660 0.7059 0.7059 1.4554 1.4554 1.6641 1.6641 2.0322 2.0322 2.0531 2.0531 2.2897 2.2897 2.5345 2.5345 2.5652 2.5652 2.7015 2.7015 3.2913 3.2913 3.2931 3.2931 3.5057 3.5057 3.8182 3.8182 3.9057 3.9057 3.9728 3.9728 3.9871 3.9871 4.0959 4.0959 4.2054 4.2054 4.3007 4.3007 4.6768 4.6768 4.7132 4.7132 4.9768 4.9768 5.0160 5.0160 5.3797 5.3797 5.8147 5.8147 5.8402 5.8402 7.5594 7.5594 7.7100 7.7100 8.0681 8.0681 8.3162 8.3162 8.3286 8.3286 10.3462 10.3462 11.3091 11.3091 k = 0.0000 0.3167-0.0000 ( 5906 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7526 -31.7526 -31.7522 -31.7522 -7.3486 -7.3486 -6.5492 -6.5492 -6.2946 -6.2946 -6.2924 -6.2924 0.5814 0.5814 0.7376 0.7376 1.4789 1.4789 1.6348 1.6348 2.0385 2.0385 2.0592 2.0592 2.2637 2.2637 2.5280 2.5280 2.5596 2.5596 2.6594 2.6594 3.2866 3.2866 3.2885 3.2885 3.5114 3.5114 3.8177 3.8177 3.9226 3.9226 3.9750 3.9750 3.9801 3.9801 4.1013 4.1013 4.2065 4.2065 4.3039 4.3039 4.6667 4.6667 4.7020 4.7020 4.9822 4.9822 5.0159 5.0159 5.3520 5.3520 5.8188 5.8188 5.8429 5.8429 7.5518 7.5518 7.7169 7.7169 8.0669 8.0669 8.3149 8.3149 8.3264 8.3264 10.4322 10.4322 11.3078 11.3078 k = 0.0000 0.3333-0.0000 ( 5906 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7527 -31.7527 -31.7522 -31.7522 -7.3311 -7.3311 -6.5703 -6.5703 -6.2943 -6.2943 -6.2923 -6.2923 0.5965 0.5965 0.7701 0.7701 1.5012 1.5012 1.6066 1.6066 2.0447 2.0447 2.0653 2.0653 2.2384 2.2384 2.5211 2.5211 2.5541 2.5541 2.6184 2.6184 3.2822 3.2822 3.2841 3.2841 3.5169 3.5169 3.8158 3.8158 3.9357 3.9357 3.9765 3.9765 3.9794 3.9794 4.1066 4.1066 4.2076 4.2076 4.3056 4.3056 4.6572 4.6572 4.6914 4.6914 4.9871 4.9871 5.0169 5.0169 5.3250 5.3250 5.8227 5.8227 5.8456 5.8456 7.5443 7.5443 7.7234 7.7234 8.0665 8.0665 8.3134 8.3134 8.3240 8.3240 10.5156 10.5156 11.3073 11.3073 k = 0.0000 0.3500-0.0000 ( 5914 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7527 -31.7527 -31.7522 -31.7522 -7.3137 -7.3137 -6.5910 -6.5910 -6.2941 -6.2941 -6.2922 -6.2922 0.6111 0.6111 0.8029 0.8029 1.5176 1.5176 1.5842 1.5842 2.0507 2.0507 2.0711 2.0711 2.2143 2.2143 2.5131 2.5131 2.5488 2.5488 2.5797 2.5797 3.2781 3.2781 3.2799 3.2799 3.5221 3.5221 3.8133 3.8133 3.9401 3.9401 3.9769 3.9769 3.9893 3.9893 4.1115 4.1115 4.2086 4.2086 4.3057 4.3057 4.6483 4.6483 4.6816 4.6816 4.9914 4.9914 5.0193 5.0193 5.2988 5.2988 5.8261 5.8261 5.8481 5.8481 7.5372 7.5372 7.7294 7.7294 8.0667 8.0667 8.3119 8.3119 8.3216 8.3216 10.5956 10.5956 11.3073 11.3073 k = 0.0000 0.3667-0.0000 ( 5906 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7527 -31.7527 -31.7522 -31.7522 -7.2967 -7.2967 -6.6112 -6.6112 -6.2938 -6.2938 -6.2920 -6.2920 0.6251 0.6251 0.8361 0.8361 1.5142 1.5142 1.5813 1.5813 2.0564 2.0564 2.0766 2.0766 2.1917 2.1917 2.5014 2.5014 2.5438 2.5438 2.5462 2.5462 3.2743 3.2743 3.2761 3.2761 3.5271 3.5271 3.8105 3.8105 3.9379 3.9379 3.9783 3.9783 4.0054 4.0054 4.1162 4.1162 4.2097 4.2097 4.3042 4.3042 4.6403 4.6403 4.6726 4.6726 4.9950 4.9950 5.0231 5.0231 5.2736 5.2736 5.8292 5.8292 5.8506 5.8506 7.5306 7.5306 7.7350 7.7350 8.0674 8.0674 8.3103 8.3103 8.3193 8.3193 10.6715 10.6715 11.3075 11.3075 k = 0.0000 0.3833-0.0000 ( 5894 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7527 -31.7527 -31.7522 -31.7522 -7.2803 -7.2803 -6.6304 -6.6304 -6.2935 -6.2935 -6.2920 -6.2920 0.6381 0.6381 0.8690 0.8690 1.4913 1.4913 1.5976 1.5976 2.0618 2.0618 2.0817 2.0817 2.1708 2.1708 2.4801 2.4801 2.5245 2.5245 2.5392 2.5392 3.2708 3.2708 3.2725 3.2725 3.5316 3.5316 3.8078 3.8078 3.9335 3.9335 3.9797 3.9797 4.0237 4.0237 4.1206 4.1206 4.2106 4.2106 4.3012 4.3012 4.6331 4.6331 4.6645 4.6645 4.9980 4.9980 5.0286 5.0286 5.2494 5.2494 5.8319 5.8319 5.8528 5.8528 7.5246 7.5246 7.7399 7.7399 8.0683 8.0683 8.3089 8.3089 8.3170 8.3170 10.7425 10.7425 11.3075 11.3075 k = 0.0000 0.4000-0.0000 ( 5902 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7522 -31.7522 -7.2649 -7.2649 -6.6484 -6.6484 -6.2933 -6.2933 -6.2919 -6.2919 0.6499 0.6499 0.9015 0.9015 1.4628 1.4628 1.6190 1.6190 2.0666 2.0666 2.0863 2.0863 2.1519 2.1519 2.4507 2.4507 2.5139 2.5139 2.5350 2.5350 3.2678 3.2678 3.2693 3.2693 3.5356 3.5356 3.8050 3.8050 3.9288 3.9288 3.9808 3.9808 4.0420 4.0420 4.1247 4.1247 4.2115 4.2115 4.2968 4.2968 4.6267 4.6267 4.6573 4.6573 5.0003 5.0003 5.0355 5.0355 5.2263 5.2263 5.8342 5.8342 5.8548 5.8548 7.5192 7.5192 7.7443 7.7443 8.0694 8.0694 8.3075 8.3075 8.3148 8.3148 10.8077 10.8077 11.3071 11.3071 k = 0.0000 0.4167-0.0000 ( 5918 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7522 -31.7522 -7.2508 -7.2508 -6.6646 -6.6646 -6.2931 -6.2931 -6.2918 -6.2918 0.6604 0.6604 0.9328 0.9328 1.4336 1.4336 1.6406 1.6406 2.0708 2.0708 2.0903 2.0903 2.1354 2.1354 2.4204 2.4204 2.5076 2.5076 2.5312 2.5312 3.2652 3.2652 3.2665 3.2665 3.5392 3.5392 3.8025 3.8025 3.9245 3.9245 3.9819 3.9819 4.0594 4.0594 4.1284 4.1284 4.2124 4.2124 4.2914 4.2914 4.6212 4.6212 4.6510 4.6510 5.0022 5.0022 5.0439 5.0439 5.2042 5.2042 5.8361 5.8361 5.8566 5.8566 7.5145 7.5145 7.7480 7.7480 8.0705 8.0705 8.3062 8.3062 8.3129 8.3129 10.8660 10.8660 11.3060 11.3060 k = 0.0000 0.4333-0.0000 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7522 -31.7522 -7.2385 -7.2385 -6.6788 -6.6788 -6.2929 -6.2929 -6.2918 -6.2918 0.6693 0.6693 0.9621 0.9621 1.4056 1.4056 1.6606 1.6606 2.0744 2.0744 2.0938 2.0938 2.1215 2.1215 2.3928 2.3928 2.5032 2.5032 2.5281 2.5281 3.2631 3.2631 3.2642 3.2642 3.5423 3.5423 3.8004 3.8004 3.9208 3.9208 3.9828 3.9828 4.0752 4.0752 4.1318 4.1318 4.2132 4.2132 4.2853 4.2853 4.6167 4.6167 4.6458 4.6458 5.0037 5.0037 5.0535 5.0535 5.1834 5.1834 5.8376 5.8376 5.8581 5.8581 7.5107 7.5107 7.7511 7.7511 8.0715 8.0715 8.3051 8.3051 8.3112 8.3112 10.9164 10.9164 11.3043 11.3043 k = 0.0000 0.4500-0.0000 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2283 -7.2283 -6.6905 -6.6905 -6.2928 -6.2928 -6.2918 -6.2918 0.6764 0.6764 0.9883 0.9883 1.3804 1.3804 1.6777 1.6777 2.0773 2.0773 2.0966 2.0966 2.1105 2.1105 2.3695 2.3695 2.5000 2.5000 2.5256 2.5256 3.2614 3.2614 3.2623 3.2623 3.5448 3.5448 3.7986 3.7986 3.9179 3.9179 3.9835 3.9835 4.0884 4.0884 4.1350 4.1350 4.2139 4.2139 4.2791 4.2791 4.6132 4.6132 4.6417 4.6417 5.0048 5.0048 5.0643 5.0643 5.1639 5.1639 5.8389 5.8389 5.8593 5.8593 7.5076 7.5076 7.7536 7.7536 8.0724 8.0724 8.3043 8.3043 8.3098 8.3098 10.9578 10.9578 11.3020 11.3020 k = 0.0000 0.4667-0.0000 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2206 -7.2206 -6.6992 -6.6992 -6.2927 -6.2927 -6.2917 -6.2917 0.6816 0.6816 1.0095 1.0095 1.3597 1.3597 1.6909 1.6909 2.0794 2.0794 2.0986 2.0986 2.1025 2.1025 2.3518 2.3518 2.4977 2.4977 2.5237 2.5237 3.2603 3.2603 3.2609 3.2609 3.5465 3.5465 3.7973 3.7973 3.9158 3.9158 3.9840 3.9840 4.0983 4.0983 4.1378 4.1378 4.2144 4.2144 4.2736 4.2736 4.6107 4.6107 4.6387 4.6387 5.0056 5.0056 5.0759 5.0759 5.1461 5.1461 5.8397 5.8397 5.8601 5.8601 7.5054 7.5054 7.7553 7.7553 8.0730 8.0730 8.3036 8.3036 8.3087 8.3087 10.9888 10.9888 11.2996 11.2996 k = 0.0000 0.4833-0.0000 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2158 -7.2158 -6.7046 -6.7046 -6.2926 -6.2926 -6.2917 -6.2917 0.6848 0.6848 1.0236 1.0236 1.3459 1.3459 1.6993 1.6993 2.0807 2.0807 2.0976 2.0976 2.0999 2.0999 2.3407 2.3407 2.4964 2.4964 2.5226 2.5226 3.2597 3.2597 3.2599 3.2599 3.5476 3.5476 3.7965 3.7965 3.9145 3.9145 3.9842 3.9842 4.1043 4.1043 4.1400 4.1400 4.2148 4.2148 4.2698 4.2698 4.6092 4.6092 4.6369 4.6369 5.0061 5.0061 5.0873 5.0873 5.1311 5.1311 5.8403 5.8403 5.8607 5.8607 7.5041 7.5041 7.7563 7.7563 8.0734 8.0734 8.3032 8.3032 8.3081 8.3081 11.0081 11.0081 11.2977 11.2977 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2142 -7.2142 -6.7064 -6.7064 -6.2926 -6.2926 -6.2917 -6.2917 0.6859 0.6859 1.0286 1.0286 1.3410 1.3410 1.7021 1.7021 2.0811 2.0811 2.0960 2.0960 2.1003 2.1003 2.3369 2.3369 2.4959 2.4959 2.5222 2.5222 3.2595 3.2595 3.2596 3.2596 3.5480 3.5480 3.7962 3.7962 3.9141 3.9141 3.9843 3.9843 4.1063 4.1063 4.1409 4.1409 4.2149 4.2149 4.2684 4.2684 4.6087 4.6087 4.6363 4.6363 5.0063 5.0063 5.0935 5.0935 5.1237 5.1237 5.8404 5.8404 5.8609 5.8609 7.5036 7.5036 7.7567 7.7567 8.0735 8.0735 8.3031 8.3031 8.3079 8.3079 11.0147 11.0147 11.2970 11.2970 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2142 -7.2142 -6.7064 -6.7064 -6.2926 -6.2926 -6.2917 -6.2917 0.6859 0.6859 1.0286 1.0286 1.3410 1.3410 1.7021 1.7021 2.0811 2.0811 2.0960 2.0960 2.1003 2.1003 2.3369 2.3369 2.4959 2.4959 2.5222 2.5222 3.2595 3.2595 3.2596 3.2596 3.5480 3.5480 3.7962 3.7962 3.9141 3.9141 3.9843 3.9843 4.1063 4.1063 4.1409 4.1409 4.2149 4.2149 4.2684 4.2684 4.6087 4.6087 4.6363 4.6363 5.0063 5.0063 5.0935 5.0935 5.1237 5.1237 5.8404 5.8404 5.8609 5.8609 7.5036 7.5036 7.7567 7.7567 8.0735 8.0735 8.3031 8.3031 8.3079 8.3079 11.0147 11.0147 11.2970 11.2970 k = 0.0167 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2137 -7.2137 -6.7062 -6.7062 -6.2931 -6.2929 -6.2921 -6.2920 0.6862 0.6867 1.0286 1.0288 1.3406 1.3411 1.7021 1.7027 2.0794 2.0823 2.0947 2.0964 2.1003 2.1005 2.3372 2.3375 2.4954 2.4957 2.5216 2.5221 3.2568 3.2570 3.2584 3.2587 3.5493 3.5493 3.7945 3.7979 3.9110 3.9172 3.9715 3.9982 4.1039 4.1069 4.1371 4.1460 4.2076 4.2256 4.2654 4.2722 4.6018 4.6113 4.6301 4.6413 5.0046 5.0148 5.0891 5.0983 5.1214 5.1249 5.8369 5.8426 5.8599 5.8604 7.5040 7.5054 7.7565 7.7571 8.0739 8.0750 8.3025 8.3033 8.3076 8.3084 11.0162 11.0164 11.2988 11.3009 k = 0.0333 0.5000-0.0000 ( 5902 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2121 -7.2121 -6.7055 -6.7055 -6.2947 -6.2945 -6.2929 -6.2928 0.6876 0.6888 1.0286 1.0291 1.3400 1.3409 1.7027 1.7037 2.0771 2.0828 2.0928 2.0956 2.1001 2.1011 2.3384 2.3389 2.4940 2.4945 2.5203 2.5213 3.2507 3.2509 3.2534 3.2545 3.5531 3.5532 3.7930 3.7996 3.9081 3.9201 3.9602 4.0127 4.1003 4.1056 4.1333 4.1534 4.2041 4.2387 4.2631 4.2773 4.5884 4.6118 4.6261 4.6425 5.0104 5.0281 5.0852 5.1038 5.1179 5.1256 5.8321 5.8434 5.8577 5.8585 7.5063 7.5091 7.7565 7.7578 8.0760 8.0782 8.3008 8.3017 8.3083 8.3106 11.0207 11.0212 11.3063 11.3105 k = 0.0500 0.5000-0.0000 ( 5892 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2095 -7.2094 -6.7044 -6.7044 -6.2976 -6.2973 -6.2939 -6.2938 0.6903 0.6920 1.0287 1.0294 1.3390 1.3404 1.7037 1.7053 2.0744 2.0827 2.0906 2.0938 2.0998 2.1020 2.3405 2.3412 2.4920 2.4924 2.5181 2.5199 3.2414 3.2415 3.2449 3.2470 3.5591 3.5593 3.7917 3.8011 3.9057 3.9221 3.9508 4.0277 4.0962 4.1034 4.1287 4.1632 4.2041 4.2514 4.2634 4.2841 4.5697 4.6103 4.6246 4.6396 5.0225 5.0429 5.0828 5.1092 5.1133 5.1283 5.8257 5.8427 5.8545 5.8555 7.5107 7.5149 7.7569 7.7588 8.0797 8.0830 8.2969 8.2979 8.3110 8.3149 11.0283 11.0291 11.3195 11.3257 k = 0.0667 0.5000-0.0000 ( 5892 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2058 -7.2057 -6.7029 -6.7029 -6.3016 -6.3012 -6.2953 -6.2952 0.6940 0.6963 1.0290 1.0299 1.3376 1.3396 1.7053 1.7075 2.0712 2.0816 2.0881 2.0912 2.0992 2.1029 2.3433 2.3443 2.4891 2.4892 2.5151 2.5181 3.2291 3.2292 3.2333 3.2366 3.5669 3.5672 3.7907 3.8024 3.9037 3.9222 3.9446 4.0425 4.0921 4.1009 4.1235 4.1749 4.2063 4.2543 4.2751 4.2929 4.5480 4.6056 4.6245 4.6348 5.0364 5.0555 5.0851 5.1074 5.1105 5.1393 5.8179 5.8401 5.8507 5.8521 7.5169 7.5225 7.7576 7.7601 8.0848 8.0892 8.2913 8.2926 8.3155 8.3207 11.0389 11.0399 11.3382 11.3464 k = 0.0833 0.5000-0.0000 ( 5896 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2011 -7.2009 -6.7010 -6.7010 -6.3067 -6.3063 -6.2970 -6.2969 0.6989 0.7018 1.0293 1.0304 1.3359 1.3383 1.7075 1.7102 2.0675 2.0795 2.0858 2.0880 2.0986 2.1037 2.3469 2.3482 2.4848 2.4856 2.5114 2.5160 3.2142 3.2144 3.2190 3.2236 3.5758 3.5763 3.7901 3.8035 3.9023 3.9194 3.9423 4.0567 4.0883 4.0987 4.1184 4.1879 4.2098 4.2524 4.2925 4.3041 4.5247 4.5963 4.6252 4.6310 5.0434 5.0635 5.0984 5.1014 5.1072 5.1603 5.8085 5.8347 5.8467 5.8494 7.5249 7.5318 7.7589 7.7619 8.0911 8.0966 8.2845 8.2861 8.3214 8.3278 11.0524 11.0536 11.3625 11.3726 k = 0.1000 0.5000-0.0000 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.1954 -7.1952 -6.6987 -6.6987 -6.3130 -6.3125 -6.2992 -6.2991 0.7050 0.7083 1.0297 1.0311 1.3338 1.3367 1.7104 1.7135 2.0635 2.0760 2.0837 2.0842 2.0981 2.1046 2.3513 2.3528 2.4793 2.4813 2.5070 2.5136 3.1970 3.1972 3.2027 3.2084 3.5855 3.5861 3.7900 3.8044 3.9015 3.9151 3.9428 4.0679 4.0867 4.0971 4.1139 4.2017 4.2141 4.2501 4.3114 4.3175 4.5008 4.5824 4.6266 4.6291 5.0414 5.0671 5.0921 5.1015 5.1261 5.1879 5.7977 5.8267 5.8431 5.8479 7.5344 7.5427 7.7608 7.7642 8.0981 8.1045 8.2771 8.2791 8.3286 8.3360 11.0686 11.0701 11.3921 11.4041 k = 0.1167 0.5000-0.0000 ( 5898 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7528 -31.7528 -31.7523 -31.7523 -7.1887 -7.1884 -6.6959 -6.6959 -6.3203 -6.3198 -6.3016 -6.3015 0.7120 0.7159 1.0302 1.0318 1.3312 1.3346 1.7140 1.7177 2.0592 2.0716 2.0798 2.0817 2.0976 2.1053 2.3563 2.3582 2.4726 2.4761 2.5021 2.5110 3.1774 3.1783 3.1848 3.1914 3.5955 3.5962 3.7904 3.8054 3.9015 3.9107 3.9447 4.0713 4.0920 4.0964 4.1104 4.2150 4.2192 4.2487 4.3311 4.3331 4.4769 4.5656 4.6285 4.6285 5.0350 5.0672 5.0832 5.0942 5.1592 5.2193 5.7854 5.8164 5.8404 5.8474 7.5454 7.5549 7.7635 7.7673 8.1052 8.1124 8.2698 8.2721 8.3368 8.3453 11.0875 11.0892 11.4270 11.4407 k = 0.1333 0.5000-0.0000 ( 5906 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7528 -31.7528 -31.7523 -31.7523 -7.1810 -7.1807 -6.6928 -6.6928 -6.3287 -6.3281 -6.3045 -6.3044 0.7201 0.7244 1.0308 1.0325 1.3282 1.3319 1.7184 1.7225 2.0545 2.0664 2.0751 2.0795 2.0972 2.1060 2.3619 2.3641 2.4649 2.4699 2.4969 2.5084 3.1560 3.1580 3.1656 3.1728 3.6054 3.6062 3.7913 3.8066 3.9021 3.9070 3.9471 4.0690 4.0963 4.0995 4.1096 4.2243 4.2253 4.2515 4.3503 4.3509 4.4533 4.5472 4.6285 4.6310 5.0263 5.0645 5.0732 5.0858 5.1954 5.2526 5.7718 5.8045 5.8393 5.8483 7.5574 7.5682 7.7672 7.7713 8.1114 8.1193 8.2636 8.2661 8.3459 8.3552 11.1089 11.1107 11.4669 11.4821 k = 0.1500 0.5000-0.0000 ( 5896 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7523 -31.7523 -7.1723 -7.1720 -6.6894 -6.6894 -6.3381 -6.3375 -6.3076 -6.3075 0.7292 0.7340 1.0315 1.0333 1.3245 1.3287 1.7236 1.7282 2.0497 2.0607 2.0702 2.0772 2.0970 2.1067 2.3682 2.3705 2.4562 2.4628 2.4917 2.5056 3.1332 3.1366 3.1453 3.1531 3.6150 3.6158 3.7927 3.8081 3.9034 3.9043 3.9499 4.0657 4.0970 4.0998 4.1165 4.2260 4.2329 4.2619 4.3689 4.3707 4.4307 4.5280 4.6289 4.6341 5.0160 5.0592 5.0624 5.0766 5.2328 5.2862 5.7570 5.7911 5.8405 5.8509 7.5703 7.5822 7.7721 7.7765 8.1156 8.1238 8.2600 8.2624 8.3557 8.3658 11.1325 11.1345 11.5115 11.5282 k = 0.1667 0.5000-0.0000 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7524 -31.7524 -7.1628 -7.1624 -6.6856 -6.6855 -6.3484 -6.3478 -6.3111 -6.3110 0.7393 0.7444 1.0321 1.0341 1.3202 1.3248 1.7297 1.7347 2.0447 2.0545 2.0651 2.0749 2.0968 2.1074 2.3748 2.3772 2.4466 2.4546 2.4864 2.5028 3.1093 3.1143 3.1241 3.1324 3.6241 3.6248 3.7946 3.8101 3.9023 3.9053 3.9530 4.0625 4.0971 4.0984 4.1255 4.2229 4.2420 4.2768 4.3885 4.3888 4.4104 4.5086 4.6295 4.6378 5.0044 5.0508 5.0512 5.0670 5.2700 5.3189 5.7412 5.7765 5.8447 5.8558 7.5836 7.5966 7.7784 7.7831 8.1166 8.1246 8.2601 8.2620 8.3660 8.3768 11.1581 11.1601 11.5606 11.5784 k = 0.1833 0.5000-0.0000 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7524 -31.7524 -7.1524 -7.1519 -6.6814 -6.6814 -6.3597 -6.3590 -6.3149 -6.3148 0.7502 0.7558 1.0329 1.0350 1.3153 1.3201 1.7368 1.7422 2.0394 2.0479 2.0600 2.0726 2.0968 2.1079 2.3817 2.3838 2.4366 2.4454 2.4813 2.5000 3.0848 3.0914 3.1021 3.1108 3.6324 3.6328 3.7968 3.8127 3.9011 3.9077 3.9566 4.0596 4.0942 4.1004 4.1338 4.2180 4.2527 4.2932 4.3844 4.4087 4.4135 4.4894 4.6302 4.6420 4.9918 5.0384 5.0406 5.0571 5.3060 5.3496 5.7246 5.7609 5.8527 5.8635 7.5971 7.6110 7.7863 7.7913 8.1137 8.1209 8.2648 8.2659 8.3766 8.3880 11.1855 11.1875 11.6137 11.6324 k = 0.2000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7524 -31.7524 -7.1411 -7.1406 -6.6770 -6.6770 -6.3718 -6.3711 -6.3189 -6.3188 0.7620 0.7679 1.0337 1.0359 1.3096 1.3147 1.7449 1.7506 2.0340 2.0409 2.0552 2.0705 2.0969 2.1085 2.3884 2.3893 2.4271 2.4357 2.4765 2.4973 3.0599 3.0681 3.0795 3.0886 3.6398 3.6399 3.7994 3.8161 3.9004 3.9103 3.9605 4.0567 4.0917 4.1029 4.1411 4.2121 4.2647 4.3100 4.3659 4.4292 4.4315 4.4706 4.6311 4.6468 4.9781 5.0252 5.0280 5.0467 5.3399 5.3775 5.7075 5.7444 5.8650 5.8746 7.6104 7.6249 7.7960 7.8013 8.1070 8.1132 8.2739 8.2739 8.3873 8.3992 11.2142 11.2162 11.6701 11.6892 k = 0.2167 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7524 -31.7524 -7.1291 -7.1286 -6.6723 -6.6723 -6.3848 -6.3840 -6.3232 -6.3231 0.7746 0.7808 1.0345 1.0368 1.3030 1.3084 1.7541 1.7602 2.0282 2.0338 2.0508 2.0686 2.0972 2.1090 2.3909 2.3938 2.4208 2.4266 2.4719 2.4947 3.0348 3.0447 3.0563 3.0658 3.6458 3.6467 3.8024 3.8201 3.9002 3.9132 3.9651 4.0537 4.0901 4.1058 4.1476 4.2054 4.2779 4.3264 4.3486 4.4470 4.4497 4.4553 4.6320 4.6522 4.9636 5.0114 5.0137 5.0352 5.3707 5.4020 5.6900 5.7274 5.8819 5.8896 7.6231 7.6380 7.8077 7.8135 8.0971 8.1022 8.2855 8.2865 8.3981 8.4103 11.2441 11.2460 11.7290 11.7479 k = 0.2333 0.5000-0.0000 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7524 -31.7524 -7.1163 -7.1158 -6.6674 -6.6674 -6.3984 -6.3976 -6.3277 -6.3276 0.7880 0.7943 1.0353 1.0377 1.2957 1.3012 1.7644 1.7709 2.0222 2.0265 2.0472 2.0671 2.0975 2.1095 2.3850 2.3940 2.4212 2.4220 2.4677 2.4926 3.0099 3.0213 3.0328 3.0426 3.6510 3.6527 3.8056 3.8247 3.9002 3.9160 3.9701 4.0502 4.0899 4.1090 4.1535 4.1981 4.2917 4.3294 4.3462 4.4339 4.4672 4.4715 4.6331 4.6581 4.9482 4.9970 4.9983 5.0226 5.3980 5.4227 5.6724 5.7099 5.9035 5.9087 7.6349 7.6500 7.8214 7.8278 8.0850 8.0891 8.2997 8.3015 8.4087 8.4212 11.2747 11.2764 11.7888 11.8063 k = 0.2500 0.5000-0.0000 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7524 -31.7524 -7.1029 -7.1023 -6.6623 -6.6623 -6.4128 -6.4119 -6.3324 -6.3323 0.8020 0.8085 1.0362 1.0386 1.2874 1.2930 1.7759 1.7827 2.0159 2.0191 2.0443 2.0660 2.0979 2.1100 2.3734 2.3858 2.4249 2.4262 2.4640 2.4910 2.9851 2.9981 3.0091 3.0191 3.6553 3.6580 3.8091 3.8298 3.9005 3.9186 3.9757 4.0459 4.0912 4.1122 4.1590 4.1902 4.3057 4.3160 4.3621 4.4179 4.4839 4.4917 4.6343 4.6644 4.9322 4.9819 4.9820 5.0088 5.4215 5.4397 5.6549 5.6922 5.9293 5.9319 7.6458 7.6607 7.8370 7.8441 8.0715 8.0748 8.3156 8.3181 8.4190 8.4317 11.3057 11.3072 11.8463 11.8605 k = 0.2667 0.5000-0.0000 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7529 -31.7529 -31.7524 -31.7524 -7.0889 -7.0883 -6.6570 -6.6570 -6.4277 -6.4268 -6.3373 -6.3372 0.8167 0.8233 1.0370 1.0394 1.2783 1.2838 1.7886 1.7956 2.0093 2.0117 2.0424 2.0654 2.0984 2.1104 2.3593 2.3728 2.4314 2.4323 2.4611 2.4903 2.9607 2.9752 2.9853 2.9955 3.6589 3.6627 3.8127 3.8352 3.9008 3.9207 3.9816 4.0409 4.0940 4.1152 4.1643 4.1820 4.3037 4.3191 4.3787 4.4037 4.4996 4.5116 4.6356 4.6709 4.9155 4.9646 4.9667 4.9939 5.4409 5.4532 5.6377 5.6744 5.9586 5.9588 7.6556 7.6701 7.8544 7.8622 8.0575 8.0599 8.3326 8.3355 8.4289 8.4416 11.3366 11.3378 11.8950 11.9029 k = 0.2833 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7530 -31.7530 -31.7525 -31.7525 -7.0744 -7.0738 -6.6516 -6.6516 -6.4431 -6.4422 -6.3423 -6.3422 0.8319 0.8386 1.0379 1.0402 1.2682 1.2736 1.8026 1.8098 2.0026 2.0044 2.0414 2.0653 2.0990 2.1108 2.3437 2.3578 2.4379 2.4380 2.4599 2.4912 2.9368 2.9528 2.9617 2.9719 3.6620 3.6668 3.8167 3.8407 3.9011 3.9223 3.9879 4.0355 4.0977 4.1175 4.1696 4.1739 4.2935 4.3301 4.3931 4.3953 4.5144 4.5309 4.6370 4.6774 4.8983 4.9466 4.9511 4.9782 5.4568 5.4638 5.6210 5.6568 5.9884 5.9908 7.6644 7.6783 7.8731 7.8818 8.0433 8.0449 8.3501 8.3533 8.4383 8.4509 11.3672 11.3680 11.9220 11.9226 k = 0.3000 0.5000-0.0000 ( 5914 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7530 -31.7530 -31.7525 -31.7525 -7.0595 -7.0589 -6.6462 -6.6462 -6.4589 -6.4580 -6.3473 -6.3472 0.8478 0.8544 1.0386 1.0410 1.2571 1.2624 1.8177 1.8251 1.9960 1.9973 2.0412 2.0656 2.0996 2.1111 2.3272 2.3414 2.4418 2.4423 2.4625 2.4939 2.9135 2.9308 2.9384 2.9486 3.6647 3.6704 3.8209 3.8463 3.9013 3.9234 3.9944 4.0299 4.1019 4.1182 4.1670 4.1751 4.2854 4.3352 4.3899 4.4117 4.5283 4.5494 4.6386 4.6837 4.8807 4.9280 4.9354 4.9617 5.4695 5.4720 5.6051 5.6396 6.0202 6.0245 7.6721 7.6853 7.8928 7.9024 8.0296 8.0303 8.3677 8.3710 8.4470 8.4594 11.3969 11.3974 11.9132 11.9191 k = 0.3167 0.5000-0.0000 ( 5916 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7530 -31.7530 -31.7525 -31.7525 -7.0443 -7.0437 -6.6408 -6.6408 -6.4750 -6.4740 -6.3524 -6.3523 0.8641 0.8706 1.0394 1.0417 1.2452 1.2502 1.8340 1.8416 1.9894 1.9904 2.0419 2.0664 2.1003 2.1114 2.3098 2.3240 2.4422 2.4448 2.4693 2.4988 2.8908 2.9095 2.9158 2.9256 3.6671 3.6735 3.8253 3.8518 3.9015 3.9239 4.0011 4.0244 4.1060 4.1159 4.1629 4.1810 4.2793 4.3319 4.3963 4.4279 4.5415 4.5669 4.6403 4.6893 4.8628 4.9090 4.9199 4.9449 5.4782 5.4795 5.5901 5.6229 6.0533 6.0589 7.6790 7.6913 7.9129 7.9234 8.0165 8.0167 8.3851 8.3885 8.4551 8.4672 11.4255 11.4256 11.8852 11.8920 k = 0.3333 0.5000-0.0000 ( 5932 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7530 -31.7530 -31.7525 -31.7525 -7.0289 -7.0283 -6.6354 -6.6354 -6.4911 -6.4902 -6.3574 -6.3573 0.8808 0.8872 1.0402 1.0423 1.2325 1.2371 1.8515 1.8591 1.9831 1.9837 2.0433 2.0676 2.1010 2.1116 2.2916 2.3057 2.4408 2.4457 2.4784 2.5056 2.8690 2.8888 2.8940 2.9033 3.6693 3.6762 3.8300 3.8571 3.9015 3.9238 4.0077 4.0192 4.1093 4.1100 4.1624 4.1874 4.2748 4.3234 4.4090 4.4440 4.5540 4.5835 4.6420 4.6940 4.8446 4.8896 4.9046 4.9279 5.4830 5.4872 5.5762 5.6068 6.0865 6.0931 7.6851 7.6965 7.9326 7.9443 8.0037 8.0053 8.4020 8.4052 8.4624 8.4740 11.4522 11.4526 11.8481 11.8541 k = 0.3500 0.5000-0.0000 ( 5916 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7530 -31.7530 -31.7525 -31.7525 -7.0136 -7.0129 -6.6302 -6.6302 -6.5072 -6.5063 -6.3623 -6.3622 0.8979 0.9041 1.0409 1.0429 1.2189 1.2231 1.8701 1.8777 1.9771 1.9776 2.0455 2.0692 2.1019 2.1118 2.2728 2.2867 2.4390 2.4454 2.4885 2.5138 2.8481 2.8690 2.8732 2.8818 3.6714 3.6786 3.8349 3.8622 3.9015 3.9233 4.0143 4.0145 4.1013 4.1116 4.1650 4.1944 4.2718 4.3133 4.4248 4.4600 4.5660 4.5990 4.6437 4.6974 4.8266 4.8702 4.8899 4.9112 5.4867 5.4932 5.5637 5.5916 6.1193 6.1262 7.6905 7.7009 7.9502 7.9635 7.9934 7.9968 8.4180 8.4211 8.4690 8.4800 11.4771 11.4778 11.8080 11.8129 k = 0.3667 0.5000-0.0000 ( 5916 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7530 -31.7530 -31.7525 -31.7525 -6.9984 -6.9978 -6.6252 -6.6251 -6.5231 -6.5222 -6.3671 -6.3670 0.9154 0.9212 1.0415 1.0435 1.2046 1.2083 1.8896 1.8972 1.9715 1.9719 2.0482 2.0708 2.1028 2.1119 2.2534 2.2670 2.4373 2.4443 2.4990 2.5227 2.8283 2.8501 2.8537 2.8614 3.6734 3.6806 3.8400 3.8670 3.9013 3.9222 4.0104 4.0208 4.0911 4.1124 4.1696 4.2018 4.2698 4.3030 4.4422 4.4758 4.5776 4.6133 4.6452 4.6987 4.8087 4.8511 4.8759 4.8950 5.4894 5.4977 5.5527 5.5774 6.1506 6.1575 7.6953 7.7046 7.9608 7.9724 7.9936 7.9958 8.4330 8.4358 8.4747 8.4850 11.4999 11.5009 11.7680 11.7719 k = 0.3833 0.5000-0.0000 ( 5920 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7531 -31.7531 -31.7525 -31.7525 -6.9837 -6.9831 -6.6204 -6.6204 -6.5384 -6.5375 -6.3715 -6.3715 0.9331 0.9386 1.0421 1.0439 1.1896 1.1928 1.9100 1.9175 1.9664 1.9667 2.0513 2.0726 2.1038 2.1119 2.2333 2.2466 2.4357 2.4429 2.5095 2.5318 2.8100 2.8323 2.8357 2.8422 3.6753 3.6823 3.8453 3.8713 3.9009 3.9206 4.0072 4.0271 4.0805 4.1118 4.1754 4.2095 4.2687 4.2932 4.4604 4.4916 4.5890 4.6260 4.6467 4.6977 4.7912 4.8326 4.8629 4.8796 5.4913 5.5011 5.5432 5.5644 6.1798 6.1864 7.6995 7.7077 7.9604 7.9665 8.0061 8.0088 8.4468 8.4491 8.4798 8.4891 11.5204 11.5217 11.7301 11.7330 k = 0.4000 0.5000-0.0000 ( 5920 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9696 -6.9691 -6.6161 -6.6160 -6.5530 -6.5521 -6.3757 -6.3756 0.9510 0.9561 1.0427 1.0443 1.1741 1.1766 1.9311 1.9381 1.9619 1.9625 2.0546 2.0742 2.1049 2.1119 2.2128 2.2258 2.4344 2.4412 2.5200 2.5407 2.7936 2.8158 2.8193 2.8244 3.6771 3.6836 3.8506 3.8753 3.9003 3.9187 4.0049 4.0329 4.0702 4.1097 4.1819 4.2169 4.2680 4.2840 4.4794 4.5074 4.6002 4.6356 4.6493 4.6937 4.7745 4.8150 4.8513 4.8655 5.4927 5.5036 5.5355 5.5526 6.2063 6.2124 7.7032 7.7103 7.9552 7.9588 8.0209 8.0254 8.4591 8.4610 8.4842 8.4923 11.5385 11.5400 11.6953 11.6975 k = 0.4167 0.5000-0.0000 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9566 -6.9561 -6.6123 -6.6122 -6.5663 -6.5655 -6.3794 -6.3793 0.9691 0.9736 1.0432 1.0447 1.1581 1.1600 1.9513 1.9542 1.9594 1.9639 2.0581 2.0756 2.1060 2.1118 2.1919 2.2045 2.4334 2.4395 2.5301 2.5490 2.7792 2.8011 2.8047 2.8082 3.6788 3.6847 3.8559 3.8787 3.8998 3.9165 4.0036 4.0374 4.0617 4.1064 4.1889 4.2238 4.2676 4.2757 4.4988 4.5230 4.6110 4.6381 4.6564 4.6866 4.7590 4.7988 4.8412 4.8531 5.4935 5.5051 5.5296 5.5423 6.2297 6.2350 7.7063 7.7123 7.9495 7.9519 8.0357 8.0404 8.4698 8.4710 8.4880 8.4947 11.5541 11.5556 11.6647 11.6662 k = 0.4333 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9450 -6.9446 -6.6091 -6.6089 -6.5781 -6.5774 -6.3826 -6.3825 0.9871 0.9910 1.0437 1.0450 1.1419 1.1430 1.9535 1.9536 1.9759 1.9831 2.0615 2.0767 2.1071 2.1114 2.1707 2.1831 2.4327 2.4379 2.5396 2.5562 2.7675 2.7880 2.7922 2.7939 3.6804 3.6853 3.8612 3.8812 3.8993 3.9140 4.0034 4.0380 4.0577 4.1020 4.1962 4.2295 4.2671 4.2685 4.5186 4.5384 4.6211 4.6353 4.6660 4.6768 4.7450 4.7837 4.8330 4.8426 5.4941 5.5058 5.5252 5.5337 6.2495 6.2539 7.7090 7.7139 7.9445 7.9461 8.0489 8.0533 8.4787 8.4791 8.4914 8.4964 11.5670 11.5684 11.6388 11.6398 k = 0.4500 0.5000-0.0000 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9353 -6.9349 -6.6067 -6.6065 -6.5878 -6.5871 -6.3851 -6.3851 1.0048 1.0080 1.0441 1.0453 1.1256 1.1261 1.9511 1.9512 1.9977 2.0043 2.0647 2.0774 2.1081 2.1108 2.1497 2.1618 2.4323 2.4364 2.5483 2.5618 2.7588 2.7765 2.7820 2.7824 3.6818 3.6857 3.8662 3.8827 3.8992 3.9114 4.0043 4.0332 4.0601 4.0968 4.2035 4.2329 4.2632 4.2665 4.5386 4.5535 4.6289 4.6293 4.6663 4.6747 4.7335 4.7696 4.8270 4.8342 5.4946 5.5053 5.5223 5.5271 6.2653 6.2687 7.7113 7.7149 7.9406 7.9416 8.0600 8.0635 8.4851 8.4856 8.4946 8.4976 11.5771 11.5784 11.6182 11.6188 k = 0.4667 0.5000-0.0000 ( 5896 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9279 -6.9276 -6.6054 -6.6052 -6.5946 -6.5940 -6.3871 -6.3870 1.0217 1.0240 1.0447 1.0458 1.1096 1.1097 1.9493 1.9494 2.0191 2.0246 2.0675 2.0776 2.1088 2.1097 2.1300 2.1416 2.4323 2.4351 2.5558 2.5654 2.7535 2.7665 2.7742 2.7745 3.6831 3.6858 3.8710 3.8828 3.8999 3.9087 4.0065 4.0264 4.0655 4.0910 4.2108 4.2331 4.2607 4.2655 4.5586 4.5683 4.6209 4.6288 4.6613 4.6802 4.7266 4.7565 4.8231 4.8280 5.4955 5.5038 5.5206 5.5228 6.2770 6.2793 7.7130 7.7155 7.9377 7.9384 8.0683 8.0708 8.4891 8.4903 8.4973 8.4986 11.5844 11.5854 11.6033 11.6036 k = 0.4833 0.5000-0.0000 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9232 -6.9231 -6.6056 -6.6054 -6.5978 -6.5975 -6.3882 -6.3882 1.0354 1.0363 1.0461 1.0473 1.0954 1.0959 1.9482 1.9482 2.0379 2.0413 2.0699 2.0769 2.1065 2.1072 2.1169 2.1250 2.4325 2.4340 2.5616 2.5666 2.7517 2.7586 2.7695 2.7697 3.6841 3.6855 3.8752 3.8814 3.9015 3.9061 4.0098 4.0199 4.0717 4.0847 4.2178 4.2298 4.2609 4.2641 4.5778 4.5820 4.6109 4.6173 4.6658 4.6796 4.7269 4.7443 4.8214 4.8239 5.4969 5.5014 5.5197 5.5205 6.2843 6.2855 7.7143 7.7155 7.9361 7.9364 8.0737 8.0750 8.4914 8.4924 8.4992 8.4995 11.5884 11.5891 11.5948 11.5948 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9216 -6.9216 -6.6060 -6.6060 -6.5984 -6.5984 -6.3886 -6.3886 1.0402 1.0402 1.0492 1.0492 1.0890 1.0890 1.9478 1.9478 2.0477 2.0477 2.0735 2.0735 2.1032 2.1032 2.1168 2.1168 2.4331 2.4331 2.5653 2.5653 2.7535 2.7535 2.7680 2.7680 3.6849 3.6849 3.8787 3.8787 3.9036 3.9036 4.0143 4.0143 4.0782 4.0782 4.2243 4.2243 4.2624 4.2624 4.5909 4.5909 4.6046 4.6046 4.6735 4.6735 4.7338 4.7338 4.8217 4.8217 5.4989 5.4989 5.5196 5.5196 6.2872 6.2872 7.7152 7.7152 7.9356 7.9356 8.0760 8.0760 8.4926 8.4926 8.4999 8.4999 11.5890 11.5890 11.5930 11.5930 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9216 -6.9216 -6.6060 -6.6060 -6.5984 -6.5984 -6.3886 -6.3886 1.0402 1.0402 1.0492 1.0492 1.0890 1.0890 1.9478 1.9478 2.0477 2.0477 2.0735 2.0735 2.1032 2.1032 2.1168 2.1168 2.4331 2.4331 2.5653 2.5653 2.7535 2.7535 2.7680 2.7680 3.6849 3.6849 3.8787 3.8787 3.9036 3.9036 4.0143 4.0143 4.0782 4.0782 4.2243 4.2243 4.2624 4.2624 4.5909 4.5909 4.6046 4.6046 4.6735 4.6735 4.7338 4.7338 4.8217 4.8217 5.4989 5.4989 5.5196 5.5196 6.2872 6.2872 7.7152 7.7152 7.9356 7.9356 8.0760 8.0760 8.4926 8.4926 8.4999 8.4999 11.5890 11.5890 11.5930 11.5930 k = 0.4881 0.4881-0.0000 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9233 -6.9231 -6.6054 -6.6053 -6.5979 -6.5976 -6.3882 -6.3882 1.0360 1.0363 1.0455 1.0468 1.0956 1.0961 1.9482 1.9482 2.0380 2.0409 2.0688 2.0778 2.1069 2.1071 2.1185 2.1235 2.4325 2.4340 2.5616 2.5666 2.7517 2.7584 2.7694 2.7700 3.6841 3.6855 3.8751 3.8814 3.9014 3.9061 4.0097 4.0200 4.0717 4.0848 4.2176 4.2299 4.2606 4.2643 4.5788 4.5805 4.6118 4.6169 4.6657 4.6796 4.7268 4.7445 4.8214 4.8239 5.4968 5.5015 5.5198 5.5204 6.2843 6.2855 7.7143 7.7155 7.9361 7.9364 8.0737 8.0750 8.4912 8.4926 8.4992 8.4996 11.5863 11.5866 11.5970 11.5973 k = 0.4762 0.4762-0.0000 ( 5892 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9281 -6.9278 -6.6037 -6.6035 -6.5962 -6.5956 -6.3870 -6.3870 1.0237 1.0253 1.0418 1.0428 1.1108 1.1111 1.9492 1.9494 2.0191 2.0238 2.0631 2.0793 2.1105 2.1163 2.1317 2.1351 2.4323 2.4352 2.5562 2.5655 2.7532 2.7637 2.7743 2.7776 3.6831 3.6858 3.8707 3.8834 3.8996 3.9088 4.0063 4.0266 4.0657 4.0909 4.2103 4.2340 4.2587 4.2672 4.5598 4.5655 4.6235 4.6279 4.6607 4.6801 4.7268 4.7570 4.8231 4.8281 5.4953 5.5045 5.5209 5.5221 6.2768 6.2792 7.7130 7.7155 7.9378 7.9384 8.0682 8.0707 8.4869 8.4904 8.4981 8.4996 11.5743 11.5748 11.6137 11.6145 k = 0.4643 0.4643-0.0000 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9359 -6.9355 -6.6011 -6.6008 -6.5931 -6.5922 -6.3851 -6.3850 1.0087 1.0111 1.0374 1.0381 1.1291 1.1293 1.9503 1.9513 1.9970 2.0034 2.0571 2.0774 2.1165 2.1256 2.1478 2.1497 2.4322 2.4367 2.5502 2.5625 2.7565 2.7680 2.7834 2.7910 3.6818 3.6857 3.8657 3.8845 3.8980 3.9113 4.0038 4.0334 4.0611 4.0962 4.2021 4.2358 4.2562 4.2718 4.5399 4.5497 4.6281 4.6339 4.6644 4.6743 4.7343 4.7709 4.8266 4.8340 5.4943 5.5077 5.5231 5.5244 6.2650 6.2685 7.7112 7.7149 7.9406 7.9417 8.0598 8.0634 8.4793 8.4846 8.4982 8.5005 11.5544 11.5551 11.6418 11.6428 k = 0.4524 0.4524-0.0000 ( 5914 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9464 -6.9459 -6.5978 -6.5974 -6.5886 -6.5874 -6.3824 -6.3823 0.9929 0.9960 1.0316 1.0321 1.1488 1.1497 1.9494 1.9532 1.9742 1.9840 2.0513 2.0738 2.1249 2.1344 2.1637 2.1650 2.4325 2.4385 2.5448 2.5588 2.7606 2.7725 2.7967 2.8081 3.6804 3.6854 3.8603 3.8852 3.8966 3.9135 4.0022 4.0381 4.0602 4.1004 4.1935 4.2350 4.2535 4.2788 4.5197 4.5335 4.6203 4.6416 4.6658 4.6740 4.7467 4.7862 4.8320 4.8415 5.4939 5.5111 5.5262 5.5275 6.2491 6.2536 7.7090 7.7139 7.9445 7.9461 8.0487 8.0532 8.4687 8.4756 8.4993 8.5021 11.5276 11.5285 11.6802 11.6814 k = 0.4405 0.4405-0.0000 ( 5920 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9593 -6.9588 -6.5939 -6.5934 -6.5828 -6.5814 -6.3791 -6.3790 0.9770 0.9806 1.0241 1.0246 1.1699 1.1713 1.9394 1.9436 1.9628 1.9735 2.0460 2.0697 2.1348 2.1433 2.1783 2.1792 2.4330 2.4408 2.5410 2.5556 2.7653 2.7777 2.8136 2.8276 3.6788 3.6847 3.8548 3.8856 3.8952 3.9153 4.0013 4.0381 4.0653 4.1034 4.1843 4.2320 4.2505 4.2881 4.4997 4.5171 4.6100 4.6426 4.6606 4.6837 4.7619 4.8029 4.8391 4.8504 5.4940 5.5149 5.5301 5.5312 6.2294 6.2349 7.7064 7.7125 7.9493 7.9516 8.0356 8.0405 8.4554 8.4638 8.5008 8.5040 11.4947 11.4957 11.7281 11.7291 k = 0.4286 0.4286-0.0000 ( 5928 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9743 -6.9737 -6.5894 -6.5888 -6.5760 -6.5744 -6.3753 -6.3751 0.9609 0.9649 1.0151 1.0156 1.1922 1.1941 1.9187 1.9194 1.9664 1.9740 2.0411 2.0654 2.1456 2.1523 2.1911 2.1917 2.4339 2.4436 2.5396 2.5539 2.7707 2.7837 2.8331 2.8488 3.6773 3.6838 3.8493 3.8857 3.8938 3.9167 4.0011 4.0354 4.0741 4.1051 4.1747 4.2271 4.2476 4.2990 4.4800 4.5007 4.5989 4.6339 4.6627 4.6917 4.7789 4.8208 4.8477 4.8606 5.4945 5.5190 5.5344 5.5354 6.2065 6.2128 7.7035 7.7107 7.9547 7.9582 8.0212 8.0258 8.4400 8.4498 8.5024 8.5060 11.4564 11.4575 11.7842 11.7845 k = 0.4167 0.4167-0.0000 ( 5928 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7530 -31.7530 -31.7525 -31.7525 -6.9910 -6.9904 -6.5843 -6.5835 -6.5684 -6.5666 -6.3710 -6.3708 0.9446 0.9490 1.0046 1.0051 1.2155 1.2180 1.8934 1.8940 1.9724 1.9788 2.0367 2.0614 2.1571 2.1616 2.2017 2.2019 2.4353 2.4468 2.5412 2.5545 2.7767 2.7905 2.8545 2.8712 3.6757 3.6827 3.8438 3.8857 3.8923 3.9176 4.0013 4.0322 4.0836 4.1056 4.1649 4.2206 4.2452 4.3113 4.4611 4.4843 4.5875 4.6218 4.6665 4.6977 4.7972 4.8397 4.8580 4.8717 5.4952 5.5238 5.5387 5.5402 6.1808 6.1878 7.7002 7.7085 7.9594 7.9653 8.0067 8.0098 8.4227 8.4338 8.5041 8.5079 11.4134 11.4146 11.8460 11.8466 k = 0.4048 0.4048-0.0000 ( 5930 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7530 -31.7530 -31.7525 -31.7525 -7.0092 -7.0086 -6.5786 -6.5777 -6.5601 -6.5583 -6.3663 -6.3661 0.9280 0.9327 0.9925 0.9930 1.2399 1.2429 1.8667 1.8679 1.9798 1.9854 2.0328 2.0575 2.1693 2.1713 2.2098 2.2100 2.4370 2.4505 2.5463 2.5579 2.7835 2.7980 2.8772 2.8943 3.6743 3.6813 3.8384 3.8856 3.8907 3.9181 4.0020 4.0293 4.0924 4.1049 4.1550 4.2127 4.2440 4.3240 4.4436 4.4682 4.5763 4.6086 4.6698 4.7017 4.8164 4.8581 4.8708 4.8836 5.4958 5.5292 5.5428 5.5454 6.1531 6.1605 7.6967 7.7061 7.9603 7.9715 7.9944 7.9961 8.4040 8.4162 8.5056 8.5096 11.3663 11.3675 11.9112 11.9132 k = 0.3929 0.3929-0.0000 ( 5930 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7530 -31.7530 -31.7525 -31.7525 -7.0286 -7.0280 -6.5722 -6.5712 -6.5514 -6.5495 -6.3614 -6.3611 0.9111 0.9160 0.9790 0.9795 1.2652 1.2688 1.8397 1.8412 1.9882 1.9932 2.0295 2.0538 2.1812 2.1819 2.2155 2.2161 2.4392 2.4547 2.5549 2.5645 2.7910 2.8063 2.9008 2.9181 3.6730 3.6797 3.8330 3.8855 3.8889 3.9184 4.0030 4.0268 4.0989 4.1034 4.1452 4.2036 4.2448 4.3359 4.4287 4.4523 4.5651 4.5949 4.6725 4.7039 4.8360 4.8734 4.8882 4.8964 5.4960 5.5351 5.5462 5.5511 6.1240 6.1317 7.6930 7.7034 7.9515 7.9663 7.9903 7.9949 8.3842 8.3975 8.5068 8.5110 11.3155 11.3167 11.9774 11.9811 k = 0.3810 0.3810-0.0000 ( 5936 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7530 -31.7530 -31.7525 -31.7525 -7.0491 -7.0485 -6.5652 -6.5640 -6.5424 -6.5404 -6.3563 -6.3560 0.8937 0.8988 0.9640 0.9646 1.2915 1.2955 1.8125 1.8141 1.9976 2.0015 2.0268 2.0504 2.1913 2.1949 2.2195 2.2204 2.4419 2.4595 2.5670 2.5743 2.7992 2.8152 2.9250 2.9421 3.6719 3.6778 3.8275 3.8853 3.8870 3.9184 4.0043 4.0248 4.1013 4.1021 4.1357 4.1932 4.2481 4.3440 4.4190 4.4368 4.5542 4.5810 4.6745 4.7046 4.8556 4.8861 4.9094 4.9103 5.4952 5.5409 5.5494 5.5572 6.0943 6.1021 7.6892 7.7005 7.9357 7.9491 7.9983 8.0011 8.3637 8.3779 8.5076 8.5119 11.2616 11.2626 12.0407 12.0465 k = 0.3690 0.3690-0.0000 ( 5936 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7530 -31.7530 -31.7525 -31.7525 -7.0703 -7.0697 -6.5576 -6.5563 -6.5330 -6.5310 -6.3511 -6.3508 0.8758 0.8811 0.9476 0.9484 1.3185 1.3230 1.7853 1.7867 2.0078 2.0093 2.0257 2.0471 2.2013 2.2077 2.2227 2.2240 2.4452 2.4647 2.5823 2.5872 2.8081 2.8247 2.9496 2.9663 3.6710 3.6758 3.8221 3.8849 3.8851 3.9182 4.0058 4.0232 4.0988 4.1013 4.1267 4.1818 4.2544 4.3443 4.4183 4.4220 4.5435 4.5670 4.6761 4.7041 4.8743 4.8980 4.9257 4.9322 5.4930 5.5435 5.5547 5.5640 6.0648 6.0725 7.6853 7.6974 7.9173 7.9297 8.0087 8.0100 8.3431 8.3580 8.5078 8.5123 11.2047 11.2055 12.0964 12.1041 k = 0.3571 0.3571-0.0000 ( 5930 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7529 -31.7529 -31.7525 -31.7525 -7.0921 -7.0916 -6.5494 -6.5480 -6.5235 -6.5214 -6.3460 -6.3457 0.8574 0.8627 0.9300 0.9308 1.3463 1.3511 1.7580 1.7593 2.0135 2.0185 2.0288 2.0440 2.2101 2.2174 2.2271 2.2303 2.4489 2.4704 2.6004 2.6030 2.8176 2.8349 2.9743 2.9904 3.6703 3.6737 3.8166 3.8828 3.8849 3.9181 4.0073 4.0220 4.0962 4.0967 4.1184 4.1694 4.2632 4.3365 4.4083 4.4268 4.5328 4.5528 4.6775 4.7029 4.8914 4.9095 4.9432 4.9559 5.4885 5.5415 5.5630 5.5716 6.0364 6.0438 7.6814 7.6944 7.8981 7.9098 8.0198 8.0201 8.3226 8.3380 8.5074 8.5119 11.1451 11.1457 12.1073 12.1174 k = 0.3452 0.3452-0.0000 ( 5934 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7529 -31.7529 -31.7525 -31.7525 -7.1144 -7.1139 -6.5407 -6.5392 -6.5137 -6.5116 -6.3410 -6.3406 0.8384 0.8438 0.9112 0.9121 1.3746 1.3799 1.7308 1.7319 2.0132 2.0293 2.0364 2.0410 2.2160 2.2213 2.2349 2.2426 2.4532 2.4766 2.6210 2.6214 2.8277 2.8455 2.9989 3.0145 3.6698 3.6713 3.8111 3.8805 3.8846 3.9180 4.0087 4.0211 4.0887 4.0934 4.1106 4.1563 4.2731 4.3239 4.3963 4.4407 4.5222 4.5387 4.6787 4.7010 4.9062 4.9205 4.9633 4.9804 5.4812 5.5358 5.5729 5.5800 6.0098 6.0167 7.6777 7.6913 7.8787 7.8899 8.0304 8.0312 8.3029 8.3184 8.5063 8.5109 11.0831 11.0834 12.0588 12.0692 k = 0.3333 0.3333-0.0000 ( 5932 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7525 -31.7525 -7.1371 -7.1366 -6.5315 -6.5299 -6.5038 -6.5016 -6.3361 -6.3357 0.8189 0.8242 0.8913 0.8923 1.4035 1.4090 1.7038 1.7047 2.0114 2.0380 2.0397 2.0450 2.2200 2.2238 2.2461 2.2576 2.4579 2.4831 2.6420 2.6437 2.8384 2.8567 3.0234 3.0382 3.6687 3.6694 3.8057 3.8782 3.8842 3.9181 4.0098 4.0203 4.0782 4.0907 4.1036 4.1429 4.2821 4.3095 4.3874 4.4566 4.5115 4.5250 4.6802 4.6990 4.9189 4.9309 4.9859 5.0057 5.4705 5.5262 5.5839 5.5894 5.9857 5.9921 7.6742 7.6882 7.8595 7.8702 8.0406 8.0424 8.2844 8.2998 8.5044 8.5091 11.0187 11.0188 12.0107 12.0210 k = 0.3214 0.3214-0.0000 ( 5918 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7525 -31.7525 -7.1598 -7.1594 -6.5218 -6.5201 -6.4937 -6.4916 -6.3315 -6.3310 0.7988 0.8040 0.8704 0.8715 1.4326 1.4384 1.6771 1.6776 2.0092 2.0352 2.0490 2.0530 2.2246 2.2272 2.2592 2.2737 2.4632 2.4901 2.6647 2.6682 2.8496 2.8683 3.0476 3.0617 3.6659 3.6689 3.8005 3.8759 3.8837 3.9185 4.0103 4.0195 4.0654 4.0878 4.0978 4.1297 4.2878 4.2945 4.3837 4.4712 4.5005 4.5136 4.6819 4.6971 4.9296 4.9407 5.0106 5.0316 5.4561 5.5127 5.5959 5.5998 5.9645 5.9705 7.6709 7.6854 7.8407 7.8509 8.0500 8.0531 8.2678 8.2825 8.5017 8.5064 10.9519 10.9522 11.9636 11.9736 k = 0.3095 0.3095-0.0000 ( 5914 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7528 -31.7528 -31.7524 -31.7524 -7.1827 -7.1823 -6.5117 -6.5100 -6.4835 -6.4814 -6.3271 -6.3266 0.7783 0.7834 0.8486 0.8497 1.4619 1.4677 1.6509 1.6510 2.0068 2.0323 2.0566 2.0594 2.2310 2.2327 2.2733 2.2904 2.4689 2.4972 2.6890 2.6942 2.8614 2.8804 3.0713 3.0846 3.6628 3.6682 3.7957 3.8735 3.8828 3.9195 4.0098 4.0185 4.0508 4.0844 4.0933 4.1177 4.2796 4.2880 4.3867 4.4764 4.4892 4.5116 4.6841 4.6956 4.9389 4.9498 5.0369 5.0582 5.4380 5.4951 5.6086 5.6111 5.9465 5.9521 7.6679 7.6827 7.8224 7.8320 8.0579 8.0626 8.2537 8.2673 8.4982 8.5028 10.8831 10.8837 11.9179 11.9275 k = 0.2976 0.2976-0.0000 ( 5912 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7528 -31.7528 -31.7524 -31.7524 -7.2055 -7.2051 -6.5012 -6.4995 -6.4732 -6.4711 -6.3230 -6.3224 0.7573 0.7623 0.8260 0.8272 1.4911 1.4966 1.6249 1.6256 2.0043 2.0293 2.0621 2.0637 2.2401 2.2409 2.2884 2.3077 2.4750 2.5046 2.7147 2.7215 2.8737 2.8929 3.0945 3.1070 3.6593 3.6670 3.7917 3.8711 3.8817 3.9210 4.0075 4.0173 4.0348 4.0801 4.0903 4.1083 4.2649 4.2826 4.3960 4.4675 4.4774 4.5236 4.6869 4.6946 4.9469 4.9581 5.0646 5.0855 5.4164 5.4736 5.6219 5.6231 5.9316 5.9369 7.6654 7.6802 7.8046 7.8138 8.0637 8.0703 8.2430 8.2549 8.4938 8.4984 10.8123 10.8133 11.8739 11.8829 k = 0.2857 0.2857-0.0000 ( 5912 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7528 -31.7528 -31.7524 -31.7524 -7.2281 -7.2278 -6.4905 -6.4887 -6.4629 -6.4608 -6.3192 -6.3186 0.7360 0.7408 0.8027 0.8040 1.5192 1.5236 1.6002 1.6024 2.0017 2.0263 2.0651 2.0658 2.2521 2.2522 2.3042 2.3255 2.4815 2.5122 2.7418 2.7499 2.8865 2.9059 3.1170 3.1286 3.6555 3.6650 3.7888 3.8684 3.8803 3.9233 4.0026 4.0146 4.0188 4.0749 4.0888 4.1022 4.2508 4.2734 4.4090 4.4532 4.4658 4.5404 4.6904 4.6945 4.9540 4.9658 5.0935 5.1136 5.3918 5.4487 5.6356 5.6357 5.9196 5.9248 7.6632 7.6780 7.7876 7.7962 8.0668 8.0756 8.2362 8.2459 8.4885 8.4931 10.7398 10.7412 11.8320 11.8402 k = 0.2738 0.2738-0.0000 ( 5924 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7527 -31.7527 -31.7524 -31.7524 -7.2505 -7.2502 -6.4795 -6.4776 -6.4526 -6.4505 -6.3157 -6.3151 0.7145 0.7191 0.7789 0.7803 1.5417 1.5418 1.5815 1.5884 1.9991 2.0233 2.0657 2.0657 2.2665 2.2667 2.3206 2.3436 2.4883 2.5198 2.7698 2.7792 2.8999 2.9193 3.1388 3.1495 3.6512 3.6618 3.7873 3.8655 3.8787 3.9262 3.9944 3.9985 4.0151 4.0701 4.0887 4.0990 4.2374 4.2621 4.4219 4.4375 4.4561 4.5580 4.6947 4.6953 4.9604 4.9727 5.1235 5.1423 5.3647 5.4210 5.6486 5.6496 5.9099 5.9151 7.6614 7.6759 7.7712 7.7794 8.0670 8.0780 8.2337 8.2410 8.4825 8.4870 10.6656 10.6673 11.7922 11.7997 k = 0.2619 0.2619-0.0000 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7527 -31.7527 -31.7524 -31.7524 -7.2725 -7.2723 -6.4683 -6.4664 -6.4422 -6.4402 -6.3126 -6.3120 0.6928 0.6972 0.7547 0.7561 1.5344 1.5372 1.5899 1.6001 1.9964 2.0203 2.0639 2.0642 2.2833 2.2836 2.3377 2.3621 2.4953 2.5275 2.7989 2.8093 2.9138 2.9332 3.1596 3.1696 3.6465 3.6574 3.7876 3.8622 3.8767 3.9299 3.9798 3.9830 4.0135 4.0669 4.0899 4.0975 4.2250 4.2498 4.4211 4.4244 4.4578 4.5756 4.6973 4.6999 4.9661 4.9789 5.1545 5.1718 5.3360 5.3912 5.6617 5.6636 5.9023 5.9074 7.6601 7.6742 7.7557 7.7633 8.0647 8.0774 8.2351 8.2401 8.4756 8.4800 10.5899 10.5920 11.7548 11.7614 k = 0.2500 0.2500-0.0000 ( 5914 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7527 -31.7527 -31.7524 -31.7524 -7.2941 -7.2939 -6.4570 -6.4550 -6.4319 -6.4300 -6.3098 -6.3091 0.6712 0.6753 0.7302 0.7317 1.5138 1.5159 1.6153 1.6250 1.9937 2.0171 2.0607 2.0612 2.3022 2.3024 2.3552 2.3808 2.5026 2.5352 2.8287 2.8399 2.9283 2.9475 3.1795 3.1887 3.6411 3.6515 3.7898 3.8579 3.8741 3.9340 3.9609 3.9694 4.0121 4.0654 4.0921 4.0969 4.2137 4.2372 4.4043 4.4140 4.4727 4.5927 4.7003 4.7061 4.9714 4.9846 5.1863 5.2015 5.3064 5.3599 5.6748 5.6775 5.8960 5.9010 7.6591 7.6726 7.7409 7.7481 8.0606 8.0745 8.2397 8.2428 8.4681 8.4724 10.5129 10.5152 11.7199 11.7256 k = 0.2381 0.2381-0.0000 ( 5898 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7526 -31.7526 -31.7524 -31.7524 -7.3152 -7.3150 -6.4455 -6.4436 -6.4217 -6.4198 -6.3073 -6.3067 0.6496 0.6534 0.7056 0.7071 1.4911 1.4926 1.6428 1.6522 1.9910 2.0140 2.0564 2.0569 2.3224 2.3225 2.3732 2.3996 2.5101 2.5428 2.8591 2.8710 2.9434 2.9623 3.1984 3.2068 3.6352 3.6442 3.7937 3.8524 3.8708 3.9354 3.9459 3.9550 4.0109 4.0650 4.0953 4.0968 4.2039 4.2245 4.3874 4.3997 4.4915 4.6092 4.7045 4.7134 4.9763 4.9897 5.2188 5.2295 5.2787 5.3280 5.6876 5.6911 5.8907 5.8956 7.6584 7.6711 7.7270 7.7336 8.0559 8.0702 8.2465 8.2483 8.4600 8.4641 10.4347 10.4372 11.6875 11.6923 k = 0.2262 0.2262-0.0000 ( 5898 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7526 -31.7526 -31.7524 -31.7524 -7.3357 -7.3355 -6.4341 -6.4322 -6.4116 -6.4097 -6.3051 -6.3045 0.6282 0.6318 0.6810 0.6826 1.4682 1.4694 1.6703 1.6795 1.9882 2.0108 2.0515 2.0518 2.3433 2.3439 2.3914 2.4183 2.5177 2.5503 2.8898 2.9023 2.9591 2.9777 3.2161 3.2238 3.6286 3.6357 3.7993 3.8448 3.8655 3.9217 3.9412 3.9478 4.0099 4.0649 4.0971 4.0990 4.1958 4.2121 4.3704 4.3840 4.5116 4.6251 4.7098 4.7217 4.9809 4.9941 5.2340 5.2508 5.2752 5.2969 5.6999 5.7041 5.8859 5.8906 7.6578 7.6695 7.7139 7.7200 8.0514 8.0655 8.2548 8.2556 8.4513 8.4553 10.3554 10.3580 11.6577 11.6616 k = 0.2143 0.2143-0.0000 ( 5894 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7526 -31.7526 -31.7524 -31.7524 -7.3555 -7.3554 -6.4228 -6.4209 -6.4017 -6.3998 -6.3033 -6.3026 0.6071 0.6105 0.6566 0.6581 1.4456 1.4466 1.6973 1.7063 1.9855 2.0076 2.0460 2.0461 2.3646 2.3658 2.4098 2.4369 2.5254 2.5575 2.9209 2.9338 2.9756 2.9936 3.2327 3.2396 3.6215 3.6261 3.8059 3.8346 3.8565 3.9075 3.9294 3.9540 4.0094 4.0643 4.0977 4.1033 4.1896 4.2000 4.3536 4.3679 4.5324 4.6403 4.7161 4.7311 4.9851 4.9981 5.2078 5.2574 5.2921 5.3033 5.7115 5.7164 5.8813 5.8857 7.6573 7.6677 7.7016 7.7073 8.0481 8.0614 8.2637 8.2639 8.4422 8.4460 10.2752 10.2779 11.6306 11.6337 k = 0.2024 0.2024-0.0000 ( 5896 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7525 -31.7525 -31.7523 -31.7523 -7.3747 -7.3746 -6.4115 -6.4097 -6.3919 -6.3901 -6.3017 -6.3011 0.5865 0.5897 0.6324 0.6340 1.4237 1.4244 1.7236 1.7324 1.9828 2.0043 2.0401 2.0404 2.3860 2.3878 2.4282 2.4552 2.5331 2.5645 2.9519 2.9652 2.9930 3.0100 3.2481 3.2543 3.6136 3.6157 3.8110 3.8236 3.8423 3.8978 3.9204 3.9611 4.0091 4.0626 4.0989 4.1079 4.1854 4.1885 4.3369 4.3514 4.5536 4.6548 4.7233 4.7414 4.9891 5.0014 5.1786 5.2277 5.3244 5.3357 5.7223 5.7277 5.8767 5.8807 7.6566 7.6657 7.6902 7.6954 8.0465 8.0588 8.2726 8.2728 8.4328 8.4364 10.1943 10.1970 11.6062 11.6084 k = 0.1905 0.1905-0.0000 ( 5892 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7525 -31.7525 -31.7523 -31.7523 -7.3930 -7.3929 -6.4005 -6.3987 -6.3824 -6.3807 -6.3004 -6.2998 0.5665 0.5694 0.6087 0.6102 1.4024 1.4030 1.7489 1.7576 1.9801 2.0011 2.0339 2.0346 2.4071 2.4097 2.4466 2.4730 2.5408 2.5713 2.9825 2.9964 3.0114 3.0270 3.2623 3.2678 3.6047 3.6053 3.8003 3.8235 3.8257 3.8921 3.9145 3.9685 4.0094 4.0594 4.1011 4.1128 4.1777 4.1832 4.3205 4.3351 4.5752 4.6688 4.7314 4.7525 4.9928 5.0041 5.1498 5.1967 5.3594 5.3693 5.7320 5.7381 5.8719 5.8754 7.6555 7.6632 7.6796 7.6843 8.0473 8.0582 8.2811 8.2816 8.4232 8.4266 10.1128 10.1155 11.5844 11.5858 k = 0.1786 0.1786-0.0000 ( 5894 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7525 -31.7525 -31.7523 -31.7523 -7.4105 -7.4105 -6.3897 -6.3879 -6.3732 -6.3715 -6.2993 -6.2987 0.5471 0.5497 0.5855 0.5871 1.3820 1.3825 1.7733 1.7818 1.9775 1.9979 2.0278 2.0288 2.4278 2.4312 2.4648 2.4902 2.5485 2.5777 3.0121 3.0271 3.0315 3.0447 3.2752 3.2802 3.5932 3.5963 3.7810 3.8017 3.8341 3.8890 3.9112 3.9758 4.0103 4.0547 4.1041 4.1176 4.1678 4.1828 4.3046 4.3189 4.5972 4.6823 4.7402 4.7644 4.9962 5.0059 5.1225 5.1664 5.3949 5.4033 5.7406 5.7471 5.8668 5.8698 7.6540 7.6602 7.6700 7.6741 8.0509 8.0603 8.2892 8.2899 8.4136 8.4168 10.0311 10.0336 11.5654 11.5660 k = 0.1667 0.1667-0.0000 ( 5886 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7525 -31.7525 -31.7523 -31.7523 -7.4272 -7.4271 -6.3792 -6.3775 -6.3643 -6.3627 -6.2984 -6.2979 0.5285 0.5309 0.5631 0.5646 1.3625 1.3629 1.7965 1.8047 1.9750 1.9946 2.0218 2.0233 2.4478 2.4520 2.4827 2.5067 2.5561 2.5838 3.0391 3.0547 3.0573 3.0632 3.2871 3.2914 3.5813 3.5868 3.7591 3.7782 3.8429 3.8872 3.9103 3.9827 4.0119 4.0489 4.1079 4.1222 4.1591 4.1838 4.2891 4.3033 4.6195 4.6956 4.7496 4.7769 4.9990 5.0062 5.0974 5.1375 5.4306 5.4377 5.7478 5.7548 5.8614 5.8637 7.6519 7.6563 7.6614 7.6647 8.0575 8.0653 8.2966 8.2974 8.4040 8.4070 9.9492 9.9516 11.5489 11.5489 k = 0.1548 0.1548-0.0000 ( 5906 PWs) bands (ev): -58.1291 -58.1291 -32.5754 -32.5754 -31.7524 -31.7524 -31.7523 -31.7523 -7.4429 -7.4428 -6.3691 -6.3675 -6.3558 -6.3542 -6.2978 -6.2972 0.5107 0.5129 0.5415 0.5430 1.3440 1.3443 1.8185 1.8264 1.9725 1.9914 2.0160 2.0178 2.4668 2.4719 2.5002 2.5223 2.5637 2.5895 3.0627 3.0814 3.0817 3.0873 3.2977 3.3015 3.5690 3.5768 3.7355 3.7535 3.8512 3.8860 3.9114 3.9887 4.0142 4.0424 4.1122 4.1260 4.1521 4.1860 4.2740 4.2882 4.6421 4.7085 4.7595 4.7898 5.0009 5.0041 5.0757 5.1104 5.4661 5.4719 5.7536 5.7609 5.8557 5.8574 7.6491 7.6508 7.6545 7.6562 8.0672 8.0735 8.3031 8.3039 8.3947 8.3974 9.8676 9.8698 11.5345 11.5351 k = 0.1429 0.1429-0.0000 ( 5898 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7524 -31.7524 -31.7523 -31.7523 -7.4576 -7.4575 -6.3595 -6.3580 -6.3476 -6.3462 -6.2973 -6.2967 0.4939 0.4959 0.5209 0.5223 1.3265 1.3267 1.8392 1.8467 1.9702 1.9882 2.0106 2.0128 2.4849 2.4907 2.5171 2.5370 2.5714 2.5949 3.0851 3.1015 3.1097 3.1160 3.3073 3.3105 3.5567 3.5663 3.7109 3.7281 3.8587 3.8853 3.9145 3.9936 4.0173 4.0356 4.1169 4.1283 4.1476 4.1889 4.2597 4.2741 4.6647 4.7212 4.7698 4.8030 4.9980 5.0012 5.0595 5.0863 5.5012 5.5058 5.7579 5.7654 5.8499 5.8508 7.6441 7.6454 7.6487 7.6493 8.0802 8.0850 8.3086 8.3094 8.3857 8.3882 9.7865 9.7885 11.5226 11.5238 k = 0.1310 0.1310-0.0000 ( 5900 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7524 -31.7524 -31.7523 -31.7523 -7.4712 -7.4712 -6.3503 -6.3490 -6.3400 -6.3386 -6.2969 -6.2964 0.4781 0.4799 0.5014 0.5028 1.3102 1.3103 1.8584 1.8656 1.9680 1.9850 2.0057 2.0080 2.5017 2.5081 2.5334 2.5506 2.5789 2.5999 3.1075 3.1218 3.1380 3.1438 3.3158 3.3186 3.5442 3.5554 3.6855 3.7021 3.8649 3.8848 3.9192 3.9973 4.0206 4.0288 4.1216 4.1284 4.1463 4.1924 4.2459 4.2611 4.6872 4.7336 4.7803 4.8162 4.9867 4.9987 5.0500 5.0664 5.5355 5.5390 5.7606 5.7682 5.8439 5.8443 7.6376 7.6402 7.6430 7.6442 8.0963 8.0999 8.3131 8.3138 8.3771 8.3794 9.7064 9.7081 11.5132 11.5148 k = 0.1190 0.1190-0.0000 ( 5900 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7524 -31.7524 -31.7523 -31.7523 -7.4839 -7.4838 -6.3418 -6.3406 -6.3328 -6.3315 -6.2967 -6.2961 0.4634 0.4651 0.4832 0.4845 1.2950 1.2952 1.8762 1.8829 1.9660 1.9818 2.0013 2.0037 2.5173 2.5240 2.5488 2.5631 2.5865 2.6045 3.1304 3.1427 3.1656 3.1707 3.3234 3.3256 3.5317 3.5441 3.6596 3.6757 3.8698 3.8845 3.9255 4.0001 4.0223 4.0235 4.1264 4.1272 4.1473 4.1961 4.2328 4.2495 4.7092 4.7455 4.7909 4.8293 4.9719 4.9913 5.0456 5.0529 5.5685 5.5711 5.7618 5.7692 5.8380 5.8382 7.6317 7.6342 7.6383 7.6389 8.1154 8.1179 8.3165 8.3170 8.3692 8.3713 9.6277 9.6291 11.5061 11.5081 k = 0.1071 0.1071-0.0000 ( 5904 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.4954 -7.4954 -6.3339 -6.3328 -6.3262 -6.3250 -6.2965 -6.2960 0.4500 0.4514 0.4663 0.4675 1.2811 1.2812 1.8923 1.8985 1.9640 1.9785 1.9976 1.9999 2.5314 2.5381 2.5632 2.5746 2.5939 2.6087 3.1539 3.1643 3.1925 3.1964 3.3300 3.3318 3.5191 3.5325 3.6333 3.6490 3.8736 3.8842 3.9328 4.0022 4.0163 4.0255 4.1264 4.1309 4.1488 4.2000 4.2204 4.2396 4.7303 4.7570 4.8018 4.8421 4.9561 4.9790 5.0443 5.0462 5.5999 5.6017 5.7616 5.7686 5.8323 5.8327 7.6264 7.6287 7.6336 7.6337 8.1371 8.1387 8.3188 8.3193 8.3619 8.3638 9.5509 9.5520 11.5011 11.5034 k = 0.0952 0.0952-0.0000 ( 5904 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.5058 -7.5058 -6.3267 -6.3258 -6.3201 -6.3190 -6.2964 -6.2959 0.4378 0.4390 0.4509 0.4520 1.2685 1.2686 1.9067 1.9123 1.9623 1.9753 1.9945 1.9967 2.5441 2.5502 2.5766 2.5852 2.6011 2.6126 3.1780 3.1865 3.2182 3.2209 3.3357 3.3372 3.5065 3.5205 3.6068 3.6220 3.8765 3.8840 3.9408 4.0039 4.0110 4.0262 4.1267 4.1351 4.1499 4.2037 4.2089 4.2317 4.7498 4.7676 4.8128 4.8543 4.9410 4.9640 5.0440 5.0443 5.6291 5.6303 5.7600 5.7664 5.8273 5.8279 7.6217 7.6238 7.6285 7.6289 8.1610 8.1620 8.3201 8.3204 8.3555 8.3573 9.4767 9.4775 11.4980 11.5005 k = 0.0833 0.0833-0.0000 ( 5904 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.5150 -7.5150 -6.3203 -6.3196 -6.3146 -6.3135 -6.2963 -6.2959 0.4268 0.4279 0.4371 0.4381 1.2573 1.2573 1.9194 1.9244 1.9607 1.9722 1.9921 1.9940 2.5552 2.5604 2.5887 2.5950 2.6079 2.6161 3.2026 3.2092 3.2429 3.2442 3.3406 3.3418 3.4938 3.5081 3.5803 3.5948 3.8787 3.8839 3.9490 4.0051 4.0065 4.0255 4.1282 4.1389 4.1500 4.1977 4.2076 4.2258 4.7668 4.7771 4.8242 4.8657 4.9276 4.9488 5.0440 5.0451 5.6558 5.6564 5.7574 5.7629 5.8233 5.8239 7.6177 7.6195 7.6236 7.6243 8.1866 8.1870 8.3206 8.3208 8.3500 8.3516 9.4059 9.4065 11.4966 11.4991 k = 0.0714 0.0714-0.0000 ( 5903 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.5230 -7.5230 -6.3148 -6.3142 -6.3097 -6.3087 -6.2963 -6.2958 0.4173 0.4182 0.4249 0.4258 1.2474 1.2475 1.9303 1.9346 1.9594 1.9692 1.9905 1.9920 2.5648 2.5688 2.5994 2.6039 2.6140 2.6193 3.2278 3.2323 3.2662 3.2663 3.3448 3.3457 3.4812 3.4954 3.5538 3.5675 3.8805 3.8838 3.9573 4.0029 4.0058 4.0237 4.1306 4.1421 4.1492 4.1877 4.2109 4.2221 4.7805 4.7853 4.8362 4.8759 4.9165 4.9349 5.0451 5.0461 5.6793 5.6795 5.7540 5.7587 5.8204 5.8208 7.6143 7.6158 7.6191 7.6199 8.2129 8.2131 8.3204 8.3205 8.3456 8.3470 9.3395 9.3399 11.4965 11.4989 k = 0.0595 0.0595-0.0000 ( 5909 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7522 -31.7522 -7.5299 -7.5299 -6.3101 -6.3097 -6.3054 -6.3046 -6.2962 -6.2958 0.4091 0.4099 0.4145 0.4153 1.2390 1.2390 1.9392 1.9428 1.9583 1.9664 1.9896 1.9907 2.5728 2.5754 2.6086 2.6118 2.6193 2.6223 3.2532 3.2558 3.2868 3.2882 3.3482 3.3489 3.4687 3.4825 3.5275 3.5403 3.8817 3.8837 3.9655 4.0003 4.0060 4.0211 4.1335 4.1447 4.1479 4.1785 4.2138 4.2200 4.7904 4.7920 4.8488 4.8846 4.9079 4.9229 5.0466 5.0473 5.6990 5.6991 5.7504 5.7540 5.8187 5.8190 7.6115 7.6127 7.6151 7.6159 8.2389 8.2389 8.3199 8.3200 8.3420 8.3432 9.2787 9.2790 11.4975 11.4997 k = 0.0476 0.0476-0.0000 ( 5921 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7522 -31.7522 -7.5355 -7.5355 -6.3064 -6.3061 -6.3018 -6.3011 -6.2960 -6.2956 0.4024 0.4030 0.4059 0.4065 1.2321 1.2321 1.9462 1.9490 1.9575 1.9639 1.9894 1.9901 2.5792 2.5807 2.6164 2.6185 2.6236 2.6249 3.2787 3.2794 3.3059 3.3086 3.3509 3.3514 3.4564 3.4694 3.5016 3.5133 3.8826 3.8836 3.9733 3.9986 4.0056 4.0179 4.1366 4.1465 4.1466 4.1702 4.2162 4.2193 4.7967 4.7969 4.8614 4.8916 4.9019 4.9134 5.0480 5.0485 5.7146 5.7149 5.7468 5.7495 5.8182 5.8184 7.6092 7.6102 7.6117 7.6124 8.2628 8.2629 8.3199 8.3200 8.3394 8.3403 9.2250 9.2251 11.4992 11.5017 k = 0.0357 0.0357-0.0000 ( 5915 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7522 -31.7522 -31.7522 -31.7522 -7.5399 -7.5399 -6.3036 -6.3035 -6.2989 -6.2983 -6.2958 -6.2954 0.3972 0.3977 0.3992 0.3996 1.2267 1.2267 1.9513 1.9533 1.9570 1.9618 1.9897 1.9900 2.5840 2.5846 2.6225 2.6239 2.6269 2.6272 3.3029 3.3039 3.3232 3.3269 3.3530 3.3534 3.4449 3.4564 3.4766 3.4869 3.8832 3.8837 3.9807 3.9978 4.0046 4.0142 4.1394 4.1456 4.1478 4.1629 4.2181 4.2194 4.8002 4.8003 4.8731 4.8965 4.8982 4.9063 5.0493 5.0496 5.7261 5.7264 5.7436 5.7456 5.8188 5.8189 7.6075 7.6082 7.6090 7.6096 8.2823 8.2824 8.3216 8.3217 8.3374 8.3382 9.1800 9.1801 11.5018 11.5038 k = 0.0238 0.0238-0.0000 ( 5935 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7522 -31.7522 -31.7522 -31.7522 -7.5431 -7.5431 -6.3019 -6.3018 -6.2967 -6.2964 -6.2954 -6.2951 0.3935 0.3938 0.3944 0.3947 1.2227 1.2227 1.9547 1.9560 1.9569 1.9600 1.9903 1.9904 2.5872 2.5874 2.6269 2.6277 2.6290 2.6291 3.3254 3.3277 3.3382 3.3422 3.3545 3.3549 3.4347 3.4440 3.4533 3.4617 3.8835 3.8837 3.9877 3.9979 4.0032 4.0099 4.1420 4.1456 4.1483 4.1566 4.2194 4.2197 4.8020 4.8021 4.8832 4.8963 4.8989 4.9015 5.0503 5.0504 5.7337 5.7340 5.7412 5.7424 5.8200 5.8200 7.6063 7.6068 7.6070 7.6074 8.2944 8.2944 8.3265 8.3266 8.3362 8.3367 9.1459 9.1459 11.5021 11.5040 k = 0.0119 0.0119-0.0000 ( 5907 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7522 -31.7522 -31.7522 -31.7522 -7.5449 -7.5449 -6.3009 -6.3009 -6.2954 -6.2952 -6.2950 -6.2949 0.3913 0.3914 0.3915 0.3917 1.2204 1.2204 1.9567 1.9571 1.9573 1.9586 1.9907 1.9908 2.5891 2.5892 2.6297 2.6301 2.6302 2.6304 3.3447 3.3474 3.3497 3.3525 3.3555 3.3560 3.4281 3.4337 3.4347 3.4402 3.8838 3.8838 3.9941 3.9987 4.0016 4.0053 4.1445 4.1465 4.1482 4.1515 4.2202 4.2203 4.8029 4.8029 4.8911 4.8959 4.8981 4.8993 5.0510 5.0510 5.7380 5.7382 5.7397 5.7403 5.8211 5.8211 7.6057 7.6059 7.6059 7.6061 8.2993 8.2993 8.3326 8.3327 8.3355 8.3357 9.1244 9.1244 11.5022 11.5029 k = 0.0000 0.0000 0.0000 ( 5887 PWs) bands (ev): -58.1290 -58.1290 -32.5753 -32.5753 -31.7522 -31.7522 -31.7522 -31.7522 -7.5456 -7.5456 -6.3006 -6.3006 -6.2949 -6.2949 -6.2949 -6.2949 0.3906 0.3906 0.3906 0.3906 1.2197 1.2197 1.9576 1.9576 1.9576 1.9576 1.9909 1.9909 2.5898 2.5898 2.6308 2.6308 2.6308 2.6308 3.3545 3.3545 3.3545 3.3545 3.3573 3.3573 3.4280 3.4280 3.4280 3.4280 3.8838 3.8838 4.0000 4.0000 4.0000 4.0000 4.1476 4.1476 4.1476 4.1476 4.2206 4.2206 4.8032 4.8032 4.8965 4.8965 4.8965 4.8965 5.0513 5.0513 5.7394 5.7394 5.7394 5.7394 5.8215 5.8215 7.6056 7.6056 7.6056 7.6056 8.3005 8.3005 8.3353 8.3353 8.3353 8.3353 9.1170 9.1170 11.5020 11.5020 k = 0.0000 0.0000 0.0000 ( 5887 PWs) bands (ev): -58.1290 -58.1290 -32.5753 -32.5753 -31.7522 -31.7522 -31.7522 -31.7522 -7.5456 -7.5456 -6.3006 -6.3006 -6.2949 -6.2949 -6.2949 -6.2949 0.3906 0.3906 0.3906 0.3906 1.2197 1.2197 1.9576 1.9576 1.9576 1.9576 1.9909 1.9909 2.5898 2.5898 2.6308 2.6308 2.6308 2.6308 3.3545 3.3545 3.3545 3.3545 3.3573 3.3573 3.4280 3.4280 3.4280 3.4280 3.8838 3.8838 4.0000 4.0000 4.0000 4.0000 4.1476 4.1476 4.1476 4.1476 4.2206 4.2206 4.8032 4.8032 4.8965 4.8965 4.8965 4.8965 5.0513 5.0513 5.7394 5.7394 5.7394 5.7394 5.8215 5.8215 7.6056 7.6056 7.6056 7.6056 8.3005 8.3005 8.3353 8.3353 8.3353 8.3353 9.1170 9.1170 11.5020 11.5020 k = 0.0098 0.0098 0.0098 ( 5899 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7522 -31.7522 -31.7522 -31.7522 -7.5449 -7.5449 -6.3009 -6.3009 -6.2953 -6.2951 -6.2951 -6.2950 0.3914 0.3915 0.3915 0.3916 1.2205 1.2205 1.9569 1.9571 1.9571 1.9587 1.9907 1.9907 2.5892 2.5892 2.6297 2.6302 2.6302 2.6303 3.3460 3.3494 3.3494 3.3502 3.3550 3.3550 3.4301 3.4342 3.4342 3.4392 3.8838 3.8838 3.9939 4.0002 4.0002 4.0054 4.1445 4.1473 4.1473 4.1517 4.2203 4.2203 4.8029 4.8029 4.8907 4.8972 4.8972 4.8993 5.0510 5.0510 5.7380 5.7380 5.7398 5.7404 5.8211 5.8211 7.6057 7.6059 7.6059 7.6061 8.2993 8.2993 8.3325 8.3325 8.3355 8.3358 9.1245 9.1245 11.5026 11.5026 k = 0.0196 0.0196 0.0196 ( 5929 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7522 -31.7522 -31.7522 -31.7522 -7.5430 -7.5430 -6.3017 -6.3017 -6.2964 -6.2959 -6.2959 -6.2958 0.3939 0.3941 0.3941 0.3944 1.2228 1.2228 1.9555 1.9555 1.9565 1.9600 1.9903 1.9903 2.5873 2.5873 2.6272 2.6283 2.6286 2.6286 3.3306 3.3351 3.3351 3.3353 3.3511 3.3511 3.4431 3.4487 3.4487 3.4575 3.8836 3.8836 3.9872 4.0007 4.0007 4.0101 4.1428 4.1466 4.1466 4.1568 4.2195 4.2195 4.8020 4.8020 4.8822 4.8991 4.8994 4.8994 5.0503 5.0503 5.7334 5.7334 5.7414 5.7427 5.8200 5.8200 7.6065 7.6069 7.6069 7.6073 8.2941 8.2941 8.3264 8.3264 8.3364 8.3369 9.1463 9.1463 11.5046 11.5050 k = 0.0294 0.0294 0.0294 ( 5923 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7522 -31.7522 -31.7522 -31.7522 -7.5398 -7.5398 -6.3032 -6.3032 -6.2980 -6.2972 -6.2971 -6.2971 0.3982 0.3985 0.3985 0.3990 1.2268 1.2268 1.9526 1.9526 1.9565 1.9618 1.9898 1.9898 2.5843 2.5843 2.6232 2.6248 2.6259 2.6259 3.3128 3.3159 3.3172 3.3172 3.3450 3.3450 3.4614 3.4671 3.4671 3.4790 3.8834 3.8834 3.9799 4.0016 4.0016 4.0139 4.1424 4.1454 4.1454 4.1629 4.2186 4.2186 4.8000 4.8000 4.8709 4.8962 4.9036 4.9036 5.0494 5.0494 5.7251 5.7251 5.7442 5.7463 5.8190 5.8190 7.6080 7.6087 7.6087 7.6092 8.2811 8.2811 8.3220 8.3220 8.3379 8.3387 9.1809 9.1809 11.5071 11.5073 k = 0.0392 0.0392 0.0392 ( 5923 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.5353 -7.5353 -6.3052 -6.3052 -6.3003 -6.2992 -6.2988 -6.2988 0.4043 0.4047 0.4047 0.4052 1.2323 1.2323 1.9481 1.9481 1.9568 1.9638 1.9895 1.9895 2.5800 2.5800 2.6178 2.6198 2.6221 2.6221 3.2940 3.2949 3.2979 3.2979 3.3365 3.3365 3.4818 3.4870 3.4870 3.5018 3.8832 3.8832 3.9722 4.0028 4.0028 4.0167 4.1435 4.1438 4.1438 4.1699 4.2174 4.2174 4.7964 4.7964 4.8574 4.8908 4.9106 4.9106 5.0483 5.0483 5.7123 5.7123 5.7480 5.7509 5.8188 5.8188 7.6102 7.6111 7.6111 7.6117 8.2603 8.2603 8.3213 8.3213 8.3401 8.3411 9.2263 9.2263 11.5107 11.5108 k = 0.0490 0.0490 0.0490 ( 5905 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.5296 -7.5296 -6.3077 -6.3077 -6.3032 -6.3019 -6.3009 -6.3009 0.4120 0.4125 0.4125 0.4132 1.2393 1.2393 1.9419 1.9419 1.9574 1.9662 1.9896 1.9896 2.5746 2.5746 2.6109 2.6133 2.6175 2.6175 3.2734 3.2752 3.2781 3.2781 3.3257 3.3257 3.5034 3.5075 3.5075 3.5251 3.8828 3.8828 3.9641 4.0043 4.0043 4.0186 4.1418 4.1418 4.1460 4.1776 4.2162 4.2162 4.7907 4.7907 4.8418 4.8832 4.9205 4.9205 5.0472 5.0472 5.6947 5.6947 5.7525 5.7565 5.8198 5.8198 7.6131 7.6143 7.6143 7.6150 8.2347 8.2347 8.3229 8.3229 8.3428 8.3440 9.2804 9.2804 11.5154 11.5155 k = 0.0588 0.0588 0.0588 ( 5899 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.5226 -7.5226 -6.3109 -6.3109 -6.3066 -6.3050 -6.3035 -6.3035 0.4214 0.4219 0.4219 0.4229 1.2478 1.2478 1.9337 1.9337 1.9584 1.9689 1.9903 1.9903 2.5678 2.5678 2.6025 2.6054 2.6119 2.6119 3.2519 3.2564 3.2583 3.2583 3.3125 3.3125 3.5256 3.5281 3.5281 3.5486 3.8823 3.8823 3.9556 4.0059 4.0059 4.0194 4.1395 4.1395 4.1500 4.1859 4.2150 4.2150 4.7829 4.7829 4.8246 4.8737 4.9334 4.9334 5.0462 5.0462 5.6723 5.6723 5.7576 5.7626 5.8220 5.8220 7.6167 7.6181 7.6181 7.6189 8.2069 8.2069 8.3258 8.3258 8.3461 8.3475 9.3411 9.3411 11.5218 11.5218 k = 0.0686 0.0686 0.0686 ( 5899 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.5144 -7.5144 -6.3146 -6.3146 -6.3107 -6.3088 -6.3064 -6.3064 0.4323 0.4330 0.4330 0.4341 1.2577 1.2577 1.9237 1.9237 1.9597 1.9719 1.9915 1.9915 2.5598 2.5598 2.5927 2.5960 2.6054 2.6054 3.2306 3.2379 3.2385 3.2385 3.2969 3.2969 3.5482 3.5488 3.5488 3.5720 3.8817 3.8817 3.9468 4.0076 4.0076 4.0194 4.1368 4.1368 4.1553 4.1948 4.2140 4.2140 4.7734 4.7734 4.8063 4.8627 4.9487 4.9487 5.0457 5.0457 5.6455 5.6455 5.7630 5.7692 5.8252 5.8252 7.6210 7.6226 7.6226 7.6235 8.1785 8.1785 8.3295 8.3295 8.3497 8.3513 9.4069 9.4069 11.5300 11.5300 k = 0.0784 0.0784 0.0784 ( 5893 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.5050 -7.5050 -6.3189 -6.3189 -6.3152 -6.3131 -6.3097 -6.3097 0.4448 0.4455 0.4455 0.4468 1.2690 1.2690 1.9119 1.9119 1.9614 1.9752 1.9933 1.9933 2.5505 2.5505 2.5816 2.5851 2.5982 2.5982 3.2097 3.2191 3.2191 3.2197 3.2791 3.2791 3.5693 3.5693 3.5710 3.5954 3.8809 3.8809 3.9376 4.0092 4.0092 4.0186 4.1338 4.1338 4.1617 4.2042 4.2135 4.2135 4.7625 4.7625 4.7872 4.8507 4.9655 4.9655 5.0468 5.0468 5.6149 5.6149 5.7684 5.7760 5.8290 5.8290 7.6260 7.6278 7.6278 7.6288 8.1506 8.1506 8.3338 8.3338 8.3538 8.3555 9.4764 9.4764 11.5403 11.5404 k = 0.0882 0.0882 0.0882 ( 5899 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.4944 -7.4944 -6.3238 -6.3238 -6.3203 -6.3180 -6.3134 -6.3134 0.4587 0.4594 0.4594 0.4610 1.2816 1.2816 1.8982 1.8982 1.9633 1.9787 1.9954 1.9954 2.5399 2.5399 2.5691 2.5728 2.5902 2.5902 3.1894 3.2001 3.2001 3.2020 3.2591 3.2591 3.5895 3.5895 3.5940 3.6184 3.8800 3.8800 3.9281 4.0106 4.0106 4.0171 4.1308 4.1308 4.1692 4.2134 4.2134 4.2141 4.7507 4.7507 4.7678 4.8381 4.9816 4.9816 5.0510 5.0510 5.5807 5.5807 5.7737 5.7827 5.8331 5.8331 7.6317 7.6337 7.6337 7.6347 8.1238 8.1238 8.3385 8.3385 8.3582 8.3600 9.5483 9.5483 11.5532 11.5532 k = 0.0980 0.0980 0.0980 ( 5908 PWs) bands (ev): -58.1291 -58.1291 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.4826 -7.4826 -6.3291 -6.3291 -6.3258 -6.3233 -6.3174 -6.3174 0.4739 0.4746 0.4746 0.4765 1.2953 1.2953 1.8829 1.8829 1.9655 1.9825 1.9980 1.9980 2.5281 2.5281 2.5554 2.5592 2.5817 2.5817 3.1696 3.1815 3.1815 3.1848 3.2371 3.2371 3.6092 3.6092 3.6171 3.6411 3.8789 3.8789 3.9184 4.0117 4.0117 4.0151 4.1277 4.1277 4.1775 4.2139 4.2139 4.2242 4.7384 4.7384 4.7486 4.8252 4.9939 4.9939 5.0613 5.0613 5.5437 5.5437 5.7788 5.7891 5.8372 5.8372 7.6381 7.6403 7.6403 7.6414 8.0989 8.0989 8.3437 8.3437 8.3629 8.3647 9.6215 9.6215 11.5689 11.5689 k = 0.1078 0.1078 0.1078 ( 5893 PWs) bands (ev): -58.1290 -58.1290 -32.5753 -32.5753 -31.7523 -31.7523 -31.7523 -31.7523 -7.4697 -7.4697 -6.3349 -6.3349 -6.3318 -6.3291 -6.3218 -6.3218 0.4904 0.4911 0.4911 0.4932 1.3102 1.3102 1.8661 1.8661 1.9680 1.9865 2.0010 2.0010 2.5151 2.5151 2.5405 2.5444 2.5726 2.5726 3.1504 3.1635 3.1635 3.1680 3.2130 3.2130 3.6285 3.6285 3.6402 3.6632 3.8778 3.8778 3.9086 4.0123 4.0123 4.0130 4.1249 4.1249 4.1863 4.2154 4.2154 4.2347 4.7262 4.7262 4.7299 4.8126 5.0002 5.0002 5.0796 5.0796 5.5041 5.5041 5.7834 5.7952 5.8413 5.8413 7.6452 7.6475 7.6475 7.6486 8.0760 8.0760 8.3491 8.3491 8.3677 8.3696 9.6950 9.6950 11.5871 11.5871 k = 0.1176 0.1176 0.1176 ( 5887 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7524 -31.7524 -31.7524 -31.7524 -7.4557 -7.4557 -6.3412 -6.3412 -6.3383 -6.3353 -6.3265 -6.3265 0.5079 0.5087 0.5087 0.5111 1.3260 1.3260 1.8477 1.8477 1.9709 1.9908 2.0043 2.0043 2.5010 2.5010 2.5246 2.5283 2.5631 2.5631 3.1319 3.1460 3.1460 3.1517 3.1872 3.1872 3.6471 3.6471 3.6632 3.6847 3.8766 3.8766 3.8986 4.0106 4.0123 4.0123 4.1222 4.1222 4.1956 4.2177 4.2177 4.2452 4.7122 4.7143 4.7143 4.8004 5.0015 5.0015 5.1047 5.1047 5.4625 5.4625 5.7877 5.8008 5.8451 5.8451 7.6529 7.6554 7.6554 7.6566 8.0556 8.0556 8.3548 8.3548 8.3728 8.3746 9.7680 9.7680 11.6051 11.6051 k = 0.1275 0.1275 0.1275 ( 5878 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7524 -31.7524 -31.7524 -31.7524 -7.4407 -7.4407 -6.3479 -6.3479 -6.3451 -6.3420 -6.3314 -6.3314 0.5264 0.5272 0.5272 0.5299 1.3426 1.3426 1.8280 1.8280 1.9739 1.9952 2.0078 2.0078 2.4858 2.4858 2.5078 2.5113 2.5531 2.5531 3.1140 3.1290 3.1290 3.1359 3.1597 3.1597 3.6649 3.6649 3.6861 3.7055 3.8753 3.8753 3.8886 4.0082 4.0117 4.0117 4.1197 4.1197 4.2051 4.2209 4.2209 4.2558 4.6958 4.7030 4.7030 4.7891 4.9998 4.9998 5.1342 5.1342 5.4191 5.4191 5.7914 5.8059 5.8486 5.8486 7.6613 7.6638 7.6638 7.6651 8.0378 8.0378 8.3607 8.3607 8.3779 8.3797 9.8396 9.8396 11.6218 11.6221 k = 0.1373 0.1373 0.1373 ( 5884 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7524 -31.7524 -31.7524 -31.7524 -7.4246 -7.4246 -6.3550 -6.3550 -6.3523 -6.3490 -6.3367 -6.3367 0.5457 0.5465 0.5465 0.5495 1.3598 1.3598 1.8070 1.8070 1.9772 1.9998 2.0116 2.0116 2.4697 2.4697 2.4902 2.4934 2.5428 2.5428 3.0968 3.1124 3.1124 3.1205 3.1309 3.1309 3.6819 3.6819 3.7086 3.7253 3.8738 3.8738 3.8785 4.0060 4.0105 4.0105 4.1176 4.1176 4.2145 4.2251 4.2251 4.2663 4.6810 4.6927 4.6927 4.7788 4.9962 4.9962 5.1667 5.1667 5.3746 5.3746 5.7946 5.8104 5.8518 5.8518 7.6704 7.6729 7.6729 7.6742 8.0227 8.0227 8.3668 8.3668 8.3832 8.3849 9.9092 9.9092 11.6388 11.6390 k = 0.1471 0.1471 0.1471 ( 5887 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7524 -31.7524 -31.7524 -31.7524 -7.4075 -7.4075 -6.3625 -6.3625 -6.3599 -6.3564 -6.3422 -6.3422 0.5657 0.5665 0.5665 0.5698 1.3775 1.3775 1.7849 1.7849 1.9807 2.0046 2.0155 2.0155 2.4530 2.4530 2.4719 2.4747 2.5322 2.5322 3.0803 3.0947 3.0947 3.1025 3.1025 3.1056 3.6978 3.6978 3.7309 3.7440 3.8686 3.8723 3.8723 4.0041 4.0088 4.0088 4.1157 4.1157 4.2237 4.2303 4.2303 4.2766 4.6681 4.6834 4.6834 4.7697 4.9913 4.9913 5.2014 5.2014 5.3293 5.3293 5.7974 5.8143 5.8546 5.8546 7.6800 7.6824 7.6824 7.6839 8.0104 8.0104 8.3730 8.3730 8.3886 8.3901 9.9759 9.9759 11.6563 11.6564 k = 0.1569 0.1569 0.1569 ( 5887 PWs) bands (ev): -58.1290 -58.1290 -32.5754 -32.5754 -31.7524 -31.7524 -31.7524 -31.7524 -7.3894 -7.3894 -6.3702 -6.3702 -6.3677 -6.3641 -6.3479 -6.3479 0.5862 0.5870 0.5870 0.5907 1.3952 1.3952 1.7620 1.7620 1.9844 2.0094 2.0197 2.0197 2.4357 2.4357 2.4532 2.4555 2.5213 2.5213 3.0644 3.0673 3.0673 3.0833 3.0833 3.0911 3.7125 3.7125 3.7526 3.7616 3.8590 3.8709 3.8709 4.0027 4.0068 4.0068 4.1140 4.1140 4.2324 4.2363 4.2363 4.2866 4.6574 4.6754 4.6754 4.7622 4.9853 4.9853 5.2365 5.2365 5.2850 5.2850 5.7999 5.8178 5.8571 5.8571 7.6902 7.6925 7.6925 7.6941 8.0011 8.0011 8.3794 8.3794 8.3941 8.3955 10.0393 10.0393 11.6743 11.6752 k = 0.1667 0.1667 0.1667 ( 5893 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7525 -31.7525 -31.7525 -31.7525 -7.3705 -7.3705 -6.3783 -6.3783 -6.3758 -6.3721 -6.3539 -6.3539 0.6071 0.6078 0.6078 0.6119 1.4126 1.4126 1.7386 1.7386 1.9882 2.0143 2.0239 2.0239 2.4180 2.4180 2.4343 2.4360 2.5103 2.5103 3.0355 3.0355 3.0492 3.0683 3.0683 3.0770 3.7259 3.7259 3.7736 3.7777 3.8498 3.8695 3.8695 4.0021 4.0047 4.0047 4.1126 4.1126 4.2405 4.2432 4.2432 4.2962 4.6489 4.6688 4.6688 4.7562 4.9782 4.9782 5.2326 5.2326 5.2810 5.2810 5.8021 5.8209 5.8594 5.8594 7.7009 7.7031 7.7031 7.7047 7.9946 7.9946 8.3860 8.3860 8.3998 8.4009 10.0989 10.0989 11.6926 11.6931 k = 0.1765 0.1765 0.1765 ( 5887 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7525 -31.7525 -31.7525 -31.7525 -7.3507 -7.3507 -6.3866 -6.3866 -6.3841 -6.3803 -6.3601 -6.3601 0.6281 0.6288 0.6288 0.6333 1.4290 1.4290 1.7152 1.7152 1.9922 2.0192 2.0282 2.0282 2.4003 2.4003 2.4154 2.4165 2.4991 2.4991 3.0027 3.0027 3.0345 3.0543 3.0543 3.0633 3.7379 3.7379 3.7924 3.7935 3.8416 3.8682 3.8682 4.0023 4.0026 4.0026 4.1112 4.1112 4.2478 4.2507 4.2507 4.3053 4.6429 4.6635 4.6635 4.7518 4.9699 4.9699 5.1883 5.1883 5.3192 5.3192 5.8042 5.8237 5.8617 5.8617 7.7120 7.7140 7.7140 7.7158 7.9911 7.9911 8.3927 8.3927 8.4057 8.4064 10.1544 10.1544 11.7110 11.7113 k = 0.1863 0.1863 0.1863 ( 5887 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7525 -31.7525 -31.7525 -31.7525 -7.3301 -7.3301 -6.3950 -6.3950 -6.3927 -6.3887 -6.3665 -6.3665 0.6491 0.6498 0.6498 0.6547 1.4438 1.4438 1.6924 1.6924 1.9962 2.0241 2.0325 2.0325 2.3828 2.3828 2.3967 2.3972 2.4878 2.4878 2.9697 2.9697 3.0204 3.0408 3.0408 3.0500 3.7484 3.7484 3.8054 3.8101 3.8366 3.8673 3.8673 4.0008 4.0008 4.0035 4.1101 4.1101 4.2542 4.2588 4.2588 4.3138 4.6393 4.6595 4.6595 4.7491 4.9604 4.9604 5.1431 5.1431 5.3601 5.3601 5.8063 5.8264 5.8640 5.8640 7.7235 7.7253 7.7253 7.7272 7.9905 7.9905 8.3998 8.3998 8.4118 8.4122 10.2055 10.2055 11.7292 11.7315 k = 0.1961 0.1961 0.1961 ( 5893 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7525 -31.7525 -31.7525 -31.7525 -7.3088 -7.3088 -6.4037 -6.4037 -6.4013 -6.3973 -6.3730 -6.3730 0.6698 0.6705 0.6705 0.6758 1.4554 1.4554 1.6716 1.6716 2.0004 2.0289 2.0368 2.0368 2.3657 2.3657 2.3782 2.3785 2.4764 2.4764 2.9366 2.9366 3.0069 3.0279 3.0279 3.0369 3.7571 3.7571 3.8150 3.8168 3.8430 3.8668 3.8668 3.9992 3.9992 4.0058 4.1089 4.1089 4.2595 4.2671 4.2671 4.3216 4.6380 4.6568 4.6568 4.7479 4.9493 4.9493 5.0988 5.0988 5.4022 5.4022 5.8088 5.8293 5.8666 5.8666 7.7353 7.7368 7.7368 7.7388 7.9928 7.9928 8.4071 8.4071 8.4181 8.4181 10.2522 10.2522 11.7466 11.7473 k = 0.2059 0.2059 0.2059 ( 5893 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7526 -31.7526 -31.7526 -31.7526 -7.2868 -7.2868 -6.4124 -6.4124 -6.4101 -6.4060 -6.3797 -6.3797 0.6902 0.6908 0.6908 0.6966 1.4622 1.4622 1.6545 1.6545 2.0045 2.0336 2.0411 2.0411 2.3492 2.3492 2.3601 2.3610 2.4651 2.4651 2.9039 2.9039 2.9938 3.0155 3.0155 3.0242 3.7640 3.7640 3.8103 3.8266 3.8589 3.8669 3.8669 3.9981 3.9981 4.0092 4.1078 4.1078 4.2638 4.2755 4.2755 4.3287 4.6389 4.6551 4.6551 4.7483 4.9361 4.9361 5.0566 5.0566 5.4453 5.4453 5.8118 5.8325 5.8697 5.8697 7.7474 7.7486 7.7486 7.7507 7.9979 7.9979 8.4147 8.4147 8.4243 8.4248 10.2945 10.2945 11.7632 11.7647 k = 0.2157 0.2157 0.2157 ( 5899 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7526 -31.7526 -31.7526 -31.7526 -7.2641 -7.2641 -6.4213 -6.4213 -6.4190 -6.4148 -6.3865 -6.3865 0.7099 0.7104 0.7104 0.7167 1.4618 1.4618 1.6430 1.6430 2.0087 2.0382 2.0452 2.0452 2.3337 2.3337 2.3428 2.3444 2.4537 2.4537 2.8718 2.8718 2.9812 3.0035 3.0035 3.0117 3.7691 3.7691 3.8041 3.8350 3.8676 3.8676 3.8761 3.9973 3.9973 4.0136 4.1068 4.1068 4.2672 4.2839 4.2839 4.3350 4.6416 4.6540 4.6540 4.7499 4.9200 4.9200 5.0176 5.0176 5.4893 5.4893 5.8156 5.8362 5.8735 5.8735 7.7596 7.7605 7.7605 7.7626 8.0057 8.0057 8.4227 8.4227 8.4309 8.4319 10.3326 10.3326 11.7778 11.7784 k = 0.2255 0.2255 0.2255 ( 5893 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7526 -31.7526 -31.7526 -31.7526 -7.2410 -7.2410 -6.4302 -6.4302 -6.4279 -6.4237 -6.3934 -6.3934 0.7288 0.7293 0.7293 0.7360 1.4530 1.4530 1.6385 1.6385 2.0129 2.0426 2.0492 2.0492 2.3194 2.3194 2.3269 2.3290 2.4425 2.4425 2.8408 2.8408 2.9690 2.9919 2.9919 2.9996 3.7726 3.7726 3.7981 3.8421 3.8691 3.8691 3.8931 3.9970 3.9970 4.0188 4.1059 4.1059 4.2696 4.2922 4.2922 4.3406 4.6458 4.6534 4.6534 4.7525 4.8998 4.8998 4.9834 4.9834 5.5339 5.5339 5.8204 5.8408 5.8782 5.8782 7.7719 7.7724 7.7724 7.7747 8.0162 8.0162 8.4311 8.4311 8.4379 8.4394 10.3666 10.3666 11.7905 11.7911 k = 0.2353 0.2353 0.2353 ( 5902 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7526 -31.7526 -31.7526 -31.7526 -7.2173 -7.2173 -6.4391 -6.4391 -6.4368 -6.4326 -6.4004 -6.4004 0.7467 0.7471 0.7471 0.7543 1.4361 1.4361 1.6402 1.6402 2.0171 2.0468 2.0531 2.0531 2.3065 2.3065 2.3123 2.3149 2.4314 2.4314 2.8112 2.8112 2.9572 2.9808 2.9808 2.9876 3.7745 3.7745 3.7927 3.8481 3.8712 3.8712 3.9095 3.9970 3.9970 4.0246 4.1050 4.1050 4.2712 4.3002 4.3002 4.3455 4.6512 4.6523 4.6523 4.7559 4.8747 4.8747 4.9553 4.9553 5.5789 5.5789 5.8265 5.8466 5.8842 5.8842 7.7841 7.7844 7.7844 7.7866 8.0293 8.0293 8.4400 8.4400 8.4453 8.4473 10.3968 10.3968 11.7999 11.8009 k = 0.2451 0.2451 0.2451 ( 5893 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7527 -31.7527 -31.7527 -31.7527 -7.1932 -7.1932 -6.4480 -6.4480 -6.4457 -6.4415 -6.4074 -6.4074 0.7635 0.7637 0.7637 0.7715 1.4131 1.4131 1.6464 1.6464 2.0213 2.0508 2.0568 2.0568 2.2952 2.2952 2.2994 2.3024 2.4204 2.4204 2.7834 2.7834 2.9459 2.9700 2.9700 2.9760 3.7753 3.7753 3.7881 3.8535 3.8739 3.8739 3.9251 3.9973 3.9973 4.0308 4.1043 4.1043 4.2723 4.3078 4.3078 4.3497 4.6502 4.6502 4.6572 4.7597 4.8464 4.8464 4.9325 4.9325 5.6243 5.6243 5.8343 5.8537 5.8917 5.8917 7.7963 7.7963 7.7964 7.7985 8.0448 8.0448 8.4493 8.4493 8.4532 8.4558 10.4234 10.4234 11.8055 11.8058 k = 0.2549 0.2549 0.2549 ( 5890 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7527 -31.7527 -31.7527 -31.7527 -7.1688 -7.1688 -6.4569 -6.4569 -6.4545 -6.4503 -6.4146 -6.4146 0.7788 0.7790 0.7790 0.7872 1.3858 1.3858 1.6547 1.6547 2.0256 2.0547 2.0604 2.0604 2.2856 2.2856 2.2883 2.2915 2.4096 2.4096 2.7578 2.7578 2.9349 2.9596 2.9596 2.9646 3.7752 3.7752 3.7842 3.8583 3.8770 3.8770 3.9398 3.9978 3.9978 4.0372 4.1035 4.1035 4.2728 4.3149 4.3149 4.3532 4.6458 4.6458 4.6634 4.7636 4.8178 4.8178 4.9130 4.9130 5.6699 5.6699 5.8439 5.8626 5.9009 5.9009 7.8081 7.8081 7.8084 7.8103 8.0627 8.0627 8.4591 8.4591 8.4616 8.4648 10.4469 10.4469 11.8060 11.8061 k = 0.2647 0.2647 0.2647 ( 5887 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7527 -31.7527 -31.7527 -31.7527 -7.1441 -7.1441 -6.4657 -6.4657 -6.4633 -6.4591 -6.4217 -6.4217 0.7927 0.7927 0.7927 0.8014 1.3558 1.3558 1.6636 1.6636 2.0299 2.0584 2.0640 2.0640 2.2777 2.2777 2.2789 2.2823 2.3991 2.3991 2.7346 2.7346 2.9243 2.9496 2.9496 2.9535 3.7744 3.7744 3.7813 3.8630 3.8804 3.8804 3.9537 3.9984 3.9984 4.0435 4.1028 4.1028 4.2730 4.3215 4.3215 4.3562 4.6377 4.6377 4.6693 4.7671 4.7919 4.7919 4.8952 4.8952 5.7155 5.7155 5.8555 5.8733 5.9122 5.9122 7.8196 7.8196 7.8203 7.8218 8.0827 8.0827 8.4694 8.4694 8.4705 8.4744 10.4674 10.4674 11.8004 11.8015 k = 0.2745 0.2745 0.2745 ( 5887 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7527 -31.7527 -31.7527 -31.7527 -7.1192 -7.1192 -6.4743 -6.4743 -6.4719 -6.4678 -6.4289 -6.4289 0.8048 0.8048 0.8050 0.8140 1.3240 1.3240 1.6719 1.6719 2.0344 2.0622 2.0677 2.0677 2.2714 2.2715 2.2715 2.2749 2.3888 2.3888 2.7143 2.7143 2.9142 2.9399 2.9399 2.9426 3.7732 3.7732 3.7792 3.8676 3.8840 3.8840 3.9667 3.9990 3.9990 4.0496 4.1021 4.1021 4.2731 4.3277 4.3277 4.3587 4.6247 4.6247 4.6746 4.7699 4.7708 4.7708 4.8781 4.8781 5.7609 5.7609 5.8694 5.8862 5.9257 5.9257 7.8310 7.8310 7.8319 7.8330 8.1048 8.1048 8.4800 8.4802 8.4802 8.4845 10.4854 10.4854 11.7876 11.7877 k = 0.2843 0.2843 0.2843 ( 5881 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7528 -31.7528 -31.7528 -31.7528 -7.0942 -7.0942 -6.4829 -6.4829 -6.4804 -6.4763 -6.4362 -6.4362 0.8153 0.8153 0.8156 0.8248 1.2911 1.2911 1.6789 1.6789 2.0391 2.0662 2.0715 2.0715 2.2656 2.2670 2.2670 2.2692 2.3789 2.3789 2.6971 2.6971 2.9044 2.9305 2.9305 2.9320 3.7719 3.7719 3.7781 3.8723 3.8876 3.8876 3.9789 3.9996 3.9996 4.0553 4.1014 4.1014 4.2731 4.3334 4.3334 4.3608 4.6065 4.6065 4.6788 4.7552 4.7552 4.7718 4.8611 4.8611 5.8059 5.8059 5.8858 5.9015 5.9416 5.9416 7.8422 7.8422 7.8432 7.8440 8.1288 8.1288 8.4900 8.4914 8.4914 8.4951 10.5010 10.5010 11.7665 11.7677 k = 0.2941 0.2941 0.2941 ( 5881 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7528 -31.7528 -31.7528 -31.7528 -7.0692 -7.0692 -6.4912 -6.4912 -6.4887 -6.4847 -6.4434 -6.4434 0.8240 0.8240 0.8245 0.8339 1.2577 1.2577 1.6841 1.6841 2.0441 2.0705 2.0757 2.0757 2.2614 2.2639 2.2639 2.2651 2.3693 2.3693 2.6833 2.6833 2.8949 2.9215 2.9215 2.9217 3.7705 3.7705 3.7779 3.8773 3.8913 3.8913 3.9903 4.0000 4.0000 4.0605 4.1007 4.1007 4.2731 4.3386 4.3386 4.3626 4.5843 4.5843 4.6818 4.7440 4.7440 4.7723 4.8440 4.8440 5.8503 5.8503 5.9047 5.9192 5.9603 5.9603 7.8530 7.8530 7.8543 7.8548 8.1545 8.1545 8.5004 8.5030 8.5030 8.5061 10.5145 10.5145 11.7370 11.7373 k = 0.3039 0.3039 0.3039 ( 5881 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7528 -31.7528 -31.7528 -31.7528 -7.0442 -7.0442 -6.4994 -6.4994 -6.4967 -6.4928 -6.4507 -6.4507 0.8309 0.8309 0.8317 0.8411 1.2239 1.2239 1.6872 1.6872 2.0496 2.0753 2.0804 2.0804 2.2586 2.2622 2.2622 2.2625 2.3601 2.3601 2.6729 2.6729 2.8859 2.9117 2.9128 2.9128 3.7691 3.7691 3.7787 3.8827 3.8951 3.8951 4.0002 4.0002 4.0009 4.0651 4.0998 4.0998 4.2734 4.3434 4.3434 4.3640 4.5599 4.5599 4.6832 4.7356 4.7356 4.7713 4.8268 4.8268 5.8938 5.8938 5.9261 5.9395 5.9818 5.9818 7.8636 7.8636 7.8650 7.8652 8.1816 8.1816 8.5113 8.5149 8.5149 8.5175 10.5263 10.5263 11.6975 11.6977 k = 0.3137 0.3137 0.3137 ( 5896 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7529 -31.7529 -31.7529 -31.7529 -7.0193 -7.0193 -6.5073 -6.5073 -6.5046 -6.5008 -6.4580 -6.4580 0.8361 0.8361 0.8371 0.8466 1.1902 1.1902 1.6880 1.6880 2.0555 2.0806 2.0857 2.0857 2.2569 2.2612 2.2616 2.2616 2.3514 2.3514 2.6661 2.6661 2.8773 2.9021 2.9044 2.9044 3.7678 3.7678 3.7804 3.8883 3.8988 3.8988 4.0002 4.0002 4.0106 4.0689 4.0988 4.0988 4.2739 4.3477 4.3477 4.3653 4.5350 4.5350 4.6830 4.7285 4.7285 4.7685 4.8094 4.8094 5.9359 5.9359 5.9500 5.9622 6.0064 6.0064 7.8740 7.8740 7.8754 7.8754 8.2101 8.2101 8.5224 8.5269 8.5269 8.5292 10.5364 10.5364 11.6496 11.6497 k = 0.3235 0.3235 0.3235 ( 5878 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7529 -31.7529 -31.7529 -31.7529 -6.9946 -6.9946 -6.5149 -6.5149 -6.5122 -6.5085 -6.4652 -6.4652 0.8397 0.8397 0.8410 0.8504 1.1568 1.1568 1.6865 1.6865 2.0621 2.0868 2.0917 2.0917 2.2562 2.2610 2.2618 2.2618 2.3433 2.3433 2.6627 2.6627 2.8692 2.8928 2.8965 2.8965 3.7666 3.7666 3.7832 3.8944 3.9026 3.9026 3.9998 3.9998 4.0197 4.0722 4.0976 4.0976 4.2748 4.3517 4.3517 4.3665 4.5107 4.5107 4.6811 4.7215 4.7215 4.7640 4.7919 4.7919 5.9764 5.9764 5.9764 5.9873 6.0342 6.0342 7.8842 7.8842 7.8854 7.8856 8.2397 8.2397 8.5338 8.5391 8.5391 8.5410 10.5452 10.5452 11.5933 11.5939 k = 0.3333 0.3333 0.3333 ( 5890 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7529 -31.7529 -31.7529 -31.7529 -6.9703 -6.9703 -6.5223 -6.5223 -6.5195 -6.5159 -6.4725 -6.4725 0.8417 0.8417 0.8433 0.8526 1.1239 1.1239 1.6827 1.6827 2.0693 2.0936 2.0984 2.0984 2.2563 2.2617 2.2626 2.2626 2.3356 2.3356 2.6626 2.6626 2.8615 2.8839 2.8888 2.8888 3.7655 3.7655 3.7868 3.9009 3.9063 3.9063 3.9990 3.9990 4.0279 4.0745 4.0961 4.0961 4.2762 4.3553 4.3553 4.3675 4.4880 4.4880 4.6774 4.7138 4.7138 4.7576 4.7742 4.7742 6.0049 6.0147 6.0149 6.0149 6.0652 6.0652 7.8942 7.8942 7.8951 7.8956 8.2701 8.2701 8.5452 8.5513 8.5513 8.5528 10.5528 10.5528 11.5297 11.5300 k = 0.3431 0.3431 0.3431 ( 5884 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7529 -31.7529 -31.7529 -31.7529 -6.9463 -6.9463 -6.5294 -6.5294 -6.5264 -6.5230 -6.4798 -6.4798 0.8423 0.8423 0.8442 0.8533 1.0918 1.0918 1.6769 1.6769 2.0771 2.1013 2.1058 2.1058 2.2568 2.2632 2.2638 2.2638 2.3286 2.3286 2.6656 2.6656 2.8542 2.8754 2.8816 2.8816 3.7646 3.7646 3.7914 3.9078 3.9100 3.9100 3.9978 3.9978 4.0355 4.0762 4.0943 4.0943 4.2780 4.3584 4.3584 4.3685 4.4676 4.4676 4.6721 4.7052 4.7052 4.7494 4.7567 4.7567 6.0353 6.0440 6.0515 6.0515 6.0988 6.0988 7.9040 7.9040 7.9048 7.9054 8.3012 8.3012 8.5566 8.5632 8.5632 8.5645 10.5595 10.5595 11.4601 11.4604 k = 0.3529 0.3529 0.3529 ( 5890 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7529 -31.7529 -31.7529 -31.7529 -6.9227 -6.9227 -6.5361 -6.5361 -6.5331 -6.5298 -6.4871 -6.4871 0.8416 0.8416 0.8438 0.8526 1.0605 1.0605 1.6693 1.6693 2.0854 2.1097 2.1140 2.1140 2.2577 2.2650 2.2650 2.2652 2.3223 2.3223 2.6712 2.6712 2.8475 2.8673 2.8748 2.8748 3.7637 3.7637 3.7969 3.9137 3.9137 3.9150 3.9960 3.9960 4.0423 4.0771 4.0922 4.0922 4.2805 4.3611 4.3611 4.3695 4.4500 4.4500 4.6653 4.6951 4.6951 4.7393 4.7393 4.7395 6.0673 6.0750 6.0869 6.0869 6.1340 6.1340 7.9138 7.9138 7.9144 7.9150 8.3325 8.3325 8.5678 8.5748 8.5748 8.5759 10.5652 10.5652 11.3856 11.3869 k = 0.3627 0.3627 0.3627 ( 5899 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7530 -31.7530 -31.7530 -31.7530 -6.8997 -6.8997 -6.5426 -6.5426 -6.5394 -6.5363 -6.4945 -6.4945 0.8399 0.8399 0.8424 0.8509 1.0303 1.0303 1.6603 1.6603 2.0943 2.1189 2.1227 2.1227 2.2587 2.2661 2.2661 2.2675 2.3168 2.3168 2.6793 2.6793 2.8412 2.8596 2.8685 2.8685 3.7628 3.7628 3.8033 3.9174 3.9174 3.9224 3.9937 3.9937 4.0485 4.0772 4.0898 4.0898 4.2836 4.3631 4.3631 4.3706 4.4356 4.4356 4.6570 4.6835 4.6835 4.7223 4.7223 4.7279 6.1005 6.1073 6.1216 6.1216 6.1697 6.1697 7.9235 7.9235 7.9240 7.9246 8.3640 8.3640 8.5785 8.5859 8.5859 8.5868 10.5703 10.5703 11.3087 11.3108 k = 0.3725 0.3725 0.3725 ( 5899 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7530 -31.7530 -31.7530 -31.7530 -6.8772 -6.8772 -6.5486 -6.5486 -6.5453 -6.5424 -6.5018 -6.5018 0.8373 0.8373 0.8402 0.8482 1.0014 1.0014 1.6502 1.6502 2.1037 2.1286 2.1320 2.1320 2.2597 2.2667 2.2667 2.2700 2.3124 2.3124 2.6892 2.6892 2.8354 2.8525 2.8625 2.8625 3.7618 3.7618 3.8104 3.9211 3.9211 3.9299 3.9908 3.9908 4.0540 4.0766 4.0872 4.0872 4.2875 4.3644 4.3644 4.3718 4.4248 4.4248 4.6475 4.6704 4.6704 4.7057 4.7057 4.7149 6.1345 6.1404 6.1559 6.1559 6.2051 6.2051 7.9332 7.9332 7.9336 7.9342 8.3953 8.3953 8.5888 8.5964 8.5964 8.5971 10.5749 10.5749 11.2308 11.2334 k = 0.3824 0.3824 0.3824 ( 5899 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7530 -31.7530 -31.7530 -31.7530 -6.8555 -6.8555 -6.5543 -6.5543 -6.5509 -6.5482 -6.5092 -6.5092 0.8340 0.8340 0.8372 0.8448 0.9740 0.9740 1.6393 1.6393 2.1134 2.1388 2.1416 2.1416 2.2605 2.2667 2.2667 2.2724 2.3088 2.3088 2.7005 2.7005 2.8302 2.8458 2.8571 2.8571 3.7608 3.7608 3.8183 3.9247 3.9247 3.9374 3.9874 3.9874 4.0588 4.0754 4.0846 4.0846 4.2920 4.3649 4.3649 4.3733 4.4179 4.4179 4.6370 4.6560 4.6560 4.6895 4.6895 4.7005 6.1689 6.1740 6.1898 6.1898 6.2394 6.2394 7.9430 7.9430 7.9432 7.9439 8.4260 8.4260 8.5983 8.6060 8.6060 8.6065 10.5790 10.5790 11.1530 11.1563 k = 0.3922 0.3922 0.3922 ( 5911 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7530 -31.7530 -31.7530 -31.7530 -6.8345 -6.8345 -6.5596 -6.5596 -6.5561 -6.5535 -6.5167 -6.5167 0.8301 0.8301 0.8337 0.8408 0.9481 0.9481 1.6281 1.6281 2.1234 2.1494 2.1515 2.1515 2.2610 2.2660 2.2660 2.2746 2.3063 2.3063 2.7129 2.7129 2.8254 2.8396 2.8521 2.8521 3.7596 3.7596 3.8270 3.9282 3.9282 3.9447 3.9834 3.9834 4.0630 4.0736 4.0819 4.0819 4.2974 4.3646 4.3646 4.3748 4.4146 4.4146 4.6257 4.6406 4.6406 4.6736 4.6736 4.6851 6.2030 6.2074 6.2230 6.2230 6.2724 6.2724 7.9528 7.9528 7.9529 7.9535 8.4559 8.4559 8.6070 8.6146 8.6146 8.6150 10.5827 10.5827 11.0768 11.0805 k = 0.4020 0.4020 0.4020 ( 5911 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7530 -31.7530 -31.7530 -31.7530 -6.8143 -6.8143 -6.5645 -6.5645 -6.5608 -6.5585 -6.5242 -6.5242 0.8260 0.8260 0.8299 0.8365 0.9240 0.9240 1.6167 1.6167 2.1336 2.1602 2.1614 2.1614 2.2612 2.2648 2.2648 2.2765 2.3046 2.3046 2.7259 2.7259 2.8212 2.8339 2.8476 2.8476 3.7582 3.7582 3.8363 3.9317 3.9317 3.9516 3.9790 3.9790 4.0665 4.0714 4.0794 4.0794 4.3035 4.3642 4.3642 4.3767 4.4145 4.4145 4.6138 4.6246 4.6246 4.6579 4.6579 4.6688 6.2365 6.2402 6.2552 6.2552 6.3036 6.3036 7.9626 7.9626 7.9627 7.9632 8.4847 8.4847 8.6147 8.6223 8.6223 8.6225 10.5860 10.5860 11.0033 11.0073 k = 0.4118 0.4118 0.4118 ( 5902 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7950 -6.7950 -6.5689 -6.5689 -6.5651 -6.5630 -6.5317 -6.5317 0.8216 0.8216 0.8260 0.8320 0.9017 0.9017 1.6056 1.6056 2.1438 2.1710 2.1713 2.1713 2.2608 2.2631 2.2631 2.2779 2.3034 2.3034 2.7389 2.7389 2.8175 2.8288 2.8437 2.8437 3.7567 3.7567 3.8461 3.9350 3.9350 3.9578 3.9744 3.9744 4.0691 4.0695 4.0771 4.0771 4.3105 4.3641 4.3641 4.3788 4.4167 4.4167 4.6016 4.6083 4.6083 4.6423 4.6423 4.6519 6.2689 6.2720 6.2859 6.2859 6.3330 6.3330 7.9724 7.9724 7.9724 7.9728 8.5121 8.5121 8.6214 8.6288 8.6288 8.6288 10.5892 10.5892 10.9335 10.9376 k = 0.4216 0.4216 0.4216 ( 5911 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7767 -6.7767 -6.5729 -6.5729 -6.5690 -6.5671 -6.5393 -6.5393 0.8173 0.8173 0.8221 0.8275 0.8814 0.8814 1.5950 1.5950 2.1540 2.1808 2.1808 2.1818 2.2599 2.2612 2.2612 2.2787 2.3025 2.3025 2.7518 2.7518 2.8143 2.8242 2.8403 2.8403 3.7549 3.7549 3.8564 3.9380 3.9380 3.9630 3.9697 3.9697 4.0667 4.0718 4.0752 4.0752 4.3181 4.3648 4.3648 4.3810 4.4206 4.4206 4.5894 4.5922 4.5922 4.6267 4.6267 4.6346 6.2995 6.3020 6.3146 6.3146 6.3602 6.3602 7.9820 7.9820 7.9820 7.9824 8.5376 8.5376 8.6270 8.6340 8.6341 8.6341 10.5921 10.5921 10.8684 10.8725 k = 0.4314 0.4314 0.4314 ( 5905 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7595 -6.7595 -6.5765 -6.5765 -6.5724 -6.5708 -6.5469 -6.5469 0.8130 0.8130 0.8183 0.8231 0.8633 0.8633 1.5851 1.5851 2.1641 2.1899 2.1899 2.1923 2.2584 2.2594 2.2594 2.2789 2.3016 2.3016 2.7639 2.7639 2.8116 2.8201 2.8375 2.8375 3.7531 3.7531 3.8671 3.9406 3.9406 3.9654 3.9654 3.9669 4.0647 4.0735 4.0736 4.0736 4.3265 4.3665 4.3665 4.3834 4.4259 4.4259 4.5765 4.5765 4.5774 4.6113 4.6113 4.6173 6.3279 6.3300 6.3409 6.3409 6.3851 6.3851 7.9914 7.9914 7.9914 7.9916 8.5611 8.5611 8.6315 8.6379 8.6383 8.6383 10.5947 10.5947 10.8088 10.8129 k = 0.4412 0.4412 0.4412 ( 5905 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7435 -6.7435 -6.5797 -6.5797 -6.5754 -6.5740 -6.5544 -6.5544 0.8090 0.8090 0.8148 0.8189 0.8475 0.8475 1.5761 1.5761 2.1739 2.1984 2.1984 2.2025 2.2564 2.2579 2.2579 2.2783 2.3006 2.3006 2.7750 2.7750 2.8093 2.8166 2.8353 2.8353 3.7511 3.7511 3.8781 3.9427 3.9427 3.9615 3.9615 3.9690 4.0633 4.0723 4.0723 4.0745 4.3356 4.3691 4.3691 4.3859 4.4323 4.4323 4.5615 4.5615 4.5660 4.5960 4.5960 4.6003 6.3537 6.3554 6.3643 6.3643 6.4076 6.4076 8.0003 8.0003 8.0003 8.0005 8.5821 8.5821 8.6350 8.6407 8.6414 8.6414 10.5971 10.5971 10.7557 10.7594 k = 0.4510 0.4510 0.4510 ( 5911 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7288 -6.7288 -6.5825 -6.5825 -6.5779 -6.5767 -6.5617 -6.5617 0.8053 0.8053 0.8117 0.8152 0.8340 0.8340 1.5682 1.5682 2.1834 2.2059 2.2059 2.2121 2.2538 2.2568 2.2568 2.2769 2.2994 2.2994 2.7846 2.7846 2.8075 2.8135 2.8337 2.8337 3.7491 3.7491 3.8892 3.9440 3.9440 3.9587 3.9587 3.9692 4.0626 4.0713 4.0713 4.0750 4.3450 4.3724 4.3724 4.3883 4.4396 4.4396 4.5476 4.5476 4.5554 4.5812 4.5812 4.5839 6.3763 6.3777 6.3844 6.3844 6.4273 6.4273 8.0085 8.0085 8.0085 8.0086 8.6004 8.6004 8.6376 8.6426 8.6435 8.6435 10.5993 10.5993 10.7095 10.7129 k = 0.4608 0.4608 0.4608 ( 5902 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7158 -6.7158 -6.5848 -6.5848 -6.5800 -6.5790 -6.5686 -6.5686 0.8020 0.8020 0.8092 0.8119 0.8231 0.8231 1.5616 1.5616 2.1926 2.2122 2.2122 2.2208 2.2509 2.2563 2.2563 2.2747 2.2980 2.2980 2.7925 2.7925 2.8062 2.8109 2.8329 2.8329 3.7473 3.7473 3.9003 3.9442 3.9442 3.9571 3.9571 3.9672 4.0629 4.0706 4.0706 4.0749 4.3546 4.3761 4.3761 4.3903 4.4475 4.4475 4.5350 4.5350 4.5461 4.5670 4.5670 4.5688 6.3955 6.3965 6.4012 6.4012 6.4440 6.4440 8.0158 8.0158 8.0158 8.0158 8.6158 8.6158 8.6395 8.6436 8.6449 8.6449 10.6010 10.6010 10.6710 10.6739 k = 0.4706 0.4706 0.4706 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7047 -6.7047 -6.5868 -6.5868 -6.5815 -6.5808 -6.5747 -6.5747 0.7990 0.7990 0.8071 0.8092 0.8148 0.8148 1.5564 1.5564 2.2013 2.2172 2.2172 2.2277 2.2484 2.2564 2.2564 2.2716 2.2965 2.2965 2.7984 2.7984 2.8053 2.8088 2.8328 2.8328 3.7457 3.7457 3.9113 3.9435 3.9435 3.9567 3.9567 3.9633 4.0640 4.0701 4.0701 4.0742 4.3640 4.3798 4.3798 4.3915 4.4558 4.4558 4.5242 4.5242 4.5386 4.5539 4.5539 4.5554 6.4108 6.4115 6.4142 6.4142 6.4573 6.4573 8.0218 8.0218 8.0218 8.0218 8.6280 8.6280 8.6408 8.6439 8.6458 8.6458 10.6024 10.6024 10.6407 10.6429 k = 0.4804 0.4804 0.4804 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.6960 -6.6960 -6.5885 -6.5885 -6.5826 -6.5821 -6.5795 -6.5795 0.7965 0.7965 0.8058 0.8072 0.8092 0.8092 1.5525 1.5525 2.2094 2.2207 2.2207 2.2307 2.2486 2.2569 2.2569 2.2677 2.2951 2.2951 2.8023 2.8023 2.8048 2.8071 2.8331 2.8331 3.7445 3.7445 3.9220 3.9426 3.9426 3.9568 3.9568 3.9575 4.0656 4.0698 4.0698 4.0730 4.3728 4.3831 4.3831 4.3915 4.4639 4.4639 4.5155 4.5155 4.5333 4.5428 4.5428 4.5443 6.4220 6.4224 6.4236 6.4236 6.4671 6.4671 8.0263 8.0264 8.0264 8.0264 8.6366 8.6366 8.6417 8.6438 8.6464 8.6464 10.6030 10.6030 10.6188 10.6204 k = 0.4902 0.4902 0.4902 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.6904 -6.6904 -6.5899 -6.5899 -6.5832 -6.5830 -6.5824 -6.5824 0.7948 0.7948 0.8051 0.8058 0.8060 0.8060 1.5502 1.5502 2.2168 2.2227 2.2227 2.2285 2.2524 2.2575 2.2575 2.2630 2.2941 2.2941 2.8045 2.8045 2.8048 2.8059 2.8336 2.8336 3.7437 3.7437 3.9322 3.9419 3.9419 3.9502 3.9571 3.9571 4.0676 4.0697 4.0697 4.0715 4.3803 4.3853 4.3853 4.3899 4.4704 4.4704 4.5095 4.5095 4.5309 4.5348 4.5348 4.5363 6.4288 6.4290 6.4293 6.4293 6.4731 6.4731 8.0292 8.0292 8.0292 8.0292 8.6416 8.6416 8.6424 8.6435 8.6470 8.6470 10.6026 10.6026 10.6058 10.6065 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.6884 -6.6884 -6.5905 -6.5905 -6.5833 -6.5833 -6.5833 -6.5833 0.7941 0.7941 0.8050 0.8050 0.8050 0.8050 1.5494 1.5494 2.2233 2.2233 2.2233 2.2233 2.2577 2.2577 2.2577 2.2577 2.2937 2.2937 2.8051 2.8051 2.8051 2.8051 2.8338 2.8338 3.7434 3.7434 3.9416 3.9416 3.9416 3.9416 3.9572 3.9572 4.0696 4.0696 4.0696 4.0696 4.3861 4.3861 4.3861 4.3861 4.4732 4.4732 4.5072 4.5072 4.5318 4.5318 4.5318 4.5318 6.4311 6.4311 6.4311 6.4311 6.4751 6.4751 8.0301 8.0301 8.0301 8.0301 8.6430 8.6430 8.6430 8.6430 8.6474 8.6474 10.6017 10.6017 10.6017 10.6017 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.6884 -6.6884 -6.5905 -6.5905 -6.5833 -6.5833 -6.5833 -6.5833 0.7941 0.7941 0.8050 0.8050 0.8050 0.8050 1.5494 1.5494 2.2233 2.2233 2.2233 2.2233 2.2577 2.2577 2.2577 2.2577 2.2937 2.2937 2.8051 2.8051 2.8051 2.8051 2.8338 2.8338 3.7434 3.7434 3.9416 3.9416 3.9416 3.9416 3.9572 3.9572 4.0696 4.0696 4.0696 4.0696 4.3861 4.3861 4.3861 4.3861 4.4732 4.4732 4.5072 4.5072 4.5318 4.5318 4.5318 4.5318 6.4311 6.4311 6.4311 6.4311 6.4751 6.4751 8.0301 8.0301 8.0301 8.0301 8.6430 8.6430 8.6430 8.6430 8.6474 8.6474 10.6017 10.6017 10.6017 10.6017 k = 0.4881 0.5000 0.4881 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.6904 -6.6904 -6.5899 -6.5899 -6.5833 -6.5831 -6.5824 -6.5823 0.7948 0.7948 0.8051 0.8058 0.8059 0.8061 1.5502 1.5502 2.2171 2.2212 2.2242 2.2283 2.2525 2.2562 2.2588 2.2628 2.2941 2.2941 2.8044 2.8047 2.8047 2.8058 2.8336 2.8336 3.7437 3.7437 3.9326 3.9395 3.9441 3.9498 3.9571 3.9571 4.0677 4.0691 4.0702 4.0714 4.3804 4.3842 4.3864 4.3898 4.4703 4.4708 4.5088 4.5099 4.5310 4.5344 4.5347 4.5366 6.4286 6.4288 6.4295 6.4296 6.4732 6.4732 8.0286 8.0286 8.0297 8.0297 8.6414 8.6419 8.6424 8.6434 8.6468 8.6471 10.6029 10.6032 10.6053 10.6060 k = 0.4762 0.5000 0.4762 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.6958 -6.6958 -6.5888 -6.5887 -6.5828 -6.5823 -6.5792 -6.5790 0.7965 0.7966 0.8060 0.8073 0.8086 0.8090 1.5525 1.5525 2.2098 2.2182 2.2230 2.2313 2.2477 2.2551 2.2590 2.2673 2.2951 2.2953 2.8023 2.8030 2.8046 2.8068 2.8331 2.8331 3.7445 3.7445 3.9229 3.9380 3.9468 3.9566 3.9567 3.9575 4.0658 4.0688 4.0708 4.0730 4.3724 4.3815 4.3844 4.3922 4.4638 4.4660 4.5107 4.5171 4.5341 4.5406 4.5431 4.5460 6.4211 6.4214 6.4246 6.4249 6.4673 6.4674 8.0243 8.0243 8.0285 8.0285 8.6362 8.6378 8.6417 8.6435 8.6460 8.6467 10.6056 10.6067 10.6148 10.6153 k = 0.4643 0.5000 0.4643 ( 5906 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7042 -6.7042 -6.5881 -6.5878 -6.5816 -6.5809 -6.5740 -6.5736 0.7990 0.7991 0.8080 0.8098 0.8134 0.8141 1.5562 1.5563 2.2018 2.2144 2.2193 2.2320 2.2432 2.2557 2.2583 2.2711 2.2965 2.2972 2.7988 2.7998 2.8046 2.8079 2.8326 2.8327 3.7456 3.7458 3.9126 3.9370 3.9489 3.9561 3.9571 3.9636 4.0641 4.0685 4.0714 4.0743 4.3626 4.3782 4.3804 4.3931 4.4570 4.4616 4.5116 4.5264 4.5413 4.5494 4.5559 4.5586 6.4085 6.4092 6.4165 6.4169 6.4579 6.4583 8.0173 8.0174 8.0265 8.0265 8.6273 8.6300 8.6408 8.6429 8.6454 8.6464 10.6093 10.6112 10.6284 10.6284 k = 0.4524 0.5000 0.4524 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7149 -6.7148 -6.5878 -6.5875 -6.5795 -6.5786 -6.5673 -6.5668 0.8016 0.8019 0.8114 0.8135 0.8205 0.8214 1.5614 1.5615 2.1931 2.2099 2.2129 2.2311 2.2383 2.2567 2.2583 2.2744 2.2983 2.2996 2.7937 2.7951 2.8047 2.8090 2.8327 2.8328 3.7471 3.7475 3.9021 3.9365 3.9495 3.9553 3.9580 3.9693 4.0630 4.0683 4.0720 4.0754 4.3517 4.3745 4.3751 4.3923 4.4521 4.4589 4.5122 4.5360 4.5515 4.5617 4.5707 4.5731 6.3910 6.3921 6.4051 6.4057 6.4454 6.4461 8.0081 8.0083 8.0237 8.0237 8.6152 8.6188 8.6394 8.6418 8.6449 8.6458 10.6141 10.6167 10.6465 10.6469 k = 0.4405 0.5000 0.4405 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7272 -6.7271 -6.5879 -6.5877 -6.5764 -6.5754 -6.5597 -6.5591 0.8041 0.8049 0.8162 0.8184 0.8298 0.8310 1.5680 1.5681 2.1839 2.2046 2.2049 2.2293 2.2327 2.2542 2.2620 2.2772 2.3003 2.3023 2.7868 2.7886 2.8047 2.8098 2.8337 2.8337 3.7488 3.7494 3.8914 3.9363 3.9487 3.9544 3.9592 3.9749 4.0625 4.0683 4.0724 4.0763 4.3403 4.3693 4.3704 4.3895 4.4499 4.4582 4.5131 4.5452 4.5636 4.5772 4.5867 4.5885 6.3688 6.3703 6.3904 6.3912 6.4303 6.4314 7.9971 7.9975 8.0201 8.0202 8.6000 8.6044 8.6375 8.6400 8.6438 8.6446 10.6204 10.6237 10.6696 10.6702 k = 0.4286 0.5000 0.4286 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7409 -6.7407 -6.5884 -6.5882 -6.5725 -6.5714 -6.5516 -6.5509 0.8065 0.8079 0.8223 0.8244 0.8412 0.8427 1.5758 1.5759 2.1742 2.1952 2.1994 2.2250 2.2283 2.2509 2.2661 2.2797 2.3025 2.3050 2.7782 2.7803 2.8046 2.8105 2.8357 2.8359 3.7505 3.7514 3.8809 3.9364 3.9470 3.9537 3.9594 3.9807 4.0628 4.0683 4.0725 4.0772 4.3290 4.3633 4.3663 4.3850 4.4503 4.4594 4.5149 4.5544 4.5768 4.5953 4.6035 4.6044 6.3422 6.3441 6.3725 6.3736 6.4128 6.4144 7.9848 7.9854 8.0157 8.0158 8.5819 8.5871 8.6348 8.6375 8.6419 8.6426 10.6284 10.6323 10.6976 10.6984 k = 0.4167 0.5000 0.4167 ( 5912 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7555 -6.7553 -6.5892 -6.5890 -6.5678 -6.5666 -6.5431 -6.5424 0.8089 0.8109 0.8295 0.8316 0.8547 0.8563 1.5848 1.5850 2.1641 2.1850 2.1934 2.2179 2.2253 2.2470 2.2702 2.2819 2.3047 2.3077 2.7678 2.7703 2.8045 2.8111 2.8388 2.8394 3.7522 3.7531 3.8708 3.9365 3.9447 3.9533 3.9583 3.9871 4.0638 4.0686 4.0723 4.0782 4.3181 4.3577 4.3624 4.3797 4.4526 4.4621 4.5178 4.5640 4.5902 4.6146 4.6205 4.6210 6.3118 6.3140 6.3517 6.3530 6.3932 6.3952 7.9715 7.9724 8.0105 8.0108 8.5613 8.5671 8.6311 8.6342 8.6389 8.6397 10.6382 10.6426 10.7304 10.7314 k = 0.4048 0.5000 0.4048 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7530 -31.7530 -6.7711 -6.7708 -6.5902 -6.5901 -6.5625 -6.5611 -6.5345 -6.5337 0.8114 0.8140 0.8376 0.8398 0.8701 0.8718 1.5947 1.5951 2.1537 2.1743 2.1872 2.2099 2.2221 2.2426 2.2742 2.2839 2.3072 2.3105 2.7559 2.7586 2.8047 2.8119 2.8430 2.8439 3.7535 3.7543 3.8616 3.9361 3.9418 3.9537 3.9562 3.9940 4.0651 4.0692 4.0717 4.0794 4.3080 4.3524 4.3591 4.3744 4.4560 4.4658 4.5222 4.5743 4.6033 4.6326 4.6389 4.6391 6.2782 6.2806 6.3282 6.3296 6.3717 6.3740 7.9579 7.9591 8.0045 8.0050 8.5386 8.5449 8.6264 8.6298 8.6347 8.6357 10.6498 10.6547 10.7678 10.7688 k = 0.3929 0.5000 0.3929 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7530 -31.7530 -6.7873 -6.7870 -6.5916 -6.5914 -6.5564 -6.5550 -6.5258 -6.5249 0.8139 0.8170 0.8466 0.8488 0.8872 0.8890 1.6055 1.6060 2.1431 2.1632 2.1806 2.2014 2.2185 2.2376 2.2780 2.2857 2.3100 2.3133 2.7426 2.7455 2.8053 2.8130 2.8481 2.8493 3.7543 3.7543 3.8535 3.9353 3.9382 3.9537 3.9549 4.0011 4.0663 4.0707 4.0710 4.0806 4.2988 4.3478 4.3566 4.3698 4.4599 4.4697 4.5283 4.5853 4.6156 4.6474 4.6578 4.6607 6.2420 6.2446 6.3024 6.3039 6.3482 6.3507 7.9440 7.9456 7.9978 7.9985 8.5139 8.5205 8.6204 8.6243 8.6292 8.6305 10.6632 10.6686 10.8096 10.8106 k = 0.3810 0.5000 0.3810 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7530 -31.7530 -6.8041 -6.8038 -6.5932 -6.5931 -6.5497 -6.5482 -6.5169 -6.5160 0.8164 0.8200 0.8563 0.8586 0.9059 0.9077 1.6169 1.6177 2.1322 2.1519 2.1736 2.1923 2.2146 2.2322 2.2815 2.2874 2.3133 2.3162 2.7279 2.7310 2.8064 2.8148 2.8540 2.8555 3.7528 3.7545 3.8472 3.9336 3.9338 3.9517 3.9568 4.0083 4.0669 4.0700 4.0729 4.0818 4.2908 4.3439 4.3550 4.3662 4.4639 4.4737 4.5363 4.5970 4.6268 4.6603 4.6771 4.6840 6.2040 6.2065 6.2746 6.2761 6.3228 6.3253 7.9303 7.9323 7.9903 7.9913 8.4877 8.4945 8.6131 8.6176 8.6225 8.6239 10.6785 10.6843 10.8555 10.8566 k = 0.3690 0.5000 0.3690 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7530 -31.7530 -6.8215 -6.8211 -6.5952 -6.5951 -6.5424 -6.5408 -6.5080 -6.5070 0.8188 0.8229 0.8666 0.8690 0.9259 0.9278 1.6288 1.6298 2.1214 2.1405 2.1665 2.1829 2.2104 2.2265 2.2848 2.2891 2.3170 2.3195 2.7122 2.7154 2.8084 2.8173 2.8607 2.8624 3.7493 3.7537 3.8427 3.9283 3.9318 3.9505 3.9594 4.0153 4.0672 4.0689 4.0756 4.0831 4.2840 4.3409 4.3546 4.3637 4.4676 4.4773 4.5460 4.6095 4.6364 4.6717 4.6970 4.7080 6.1648 6.1671 6.2452 6.2467 6.2956 6.2979 7.9169 7.9194 7.9819 7.9834 8.4604 8.4672 8.6046 8.6095 8.6144 8.6161 10.6956 10.7017 10.9053 10.9064 k = 0.3571 0.5000 0.3571 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7531 -31.7531 -31.7530 -31.7530 -6.8392 -6.8387 -6.5976 -6.5975 -6.5346 -6.5329 -6.4991 -6.4980 0.8210 0.8256 0.8774 0.8799 0.9471 0.9490 1.6409 1.6422 2.1105 2.1291 2.1593 2.1733 2.2059 2.2206 2.2878 2.2909 2.3215 2.3231 2.6955 2.6987 2.8112 2.8206 2.8682 2.8699 3.7440 3.7519 3.8402 3.9223 3.9296 3.9503 3.9623 4.0217 4.0675 4.0679 4.0784 4.0844 4.2785 4.3389 4.3553 4.3625 4.4710 4.4806 4.5573 4.6226 4.6444 4.6813 4.7174 4.7327 6.1251 6.1269 6.2147 6.2159 6.2667 6.2685 7.9039 7.9069 7.9727 7.9747 8.4324 8.4390 8.5948 8.6000 8.6051 8.6068 10.7144 10.7207 10.9589 10.9600 k = 0.3452 0.5000 0.3452 ( 5892 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7531 -31.7531 -31.7529 -31.7529 -6.8572 -6.8567 -6.6002 -6.6002 -6.5262 -6.5244 -6.4900 -6.4889 0.8229 0.8279 0.8885 0.8911 0.9693 0.9711 1.6529 1.6546 2.0997 2.1178 2.1520 2.1637 2.2012 2.2145 2.2909 2.2930 2.3265 2.3271 2.6780 2.6812 2.8152 2.8249 2.8762 2.8780 3.7370 3.7490 3.8393 3.9161 3.9271 3.9513 3.9653 4.0274 4.0670 4.0677 4.0812 4.0858 4.2745 4.3380 4.3572 4.3626 4.4739 4.4838 4.5697 4.6364 4.6507 4.6889 4.7381 4.7578 6.0853 6.0864 6.1833 6.1843 6.2362 6.2373 7.8915 7.8949 7.9626 7.9653 8.4041 8.4104 8.5838 8.5890 8.5946 8.5962 10.7346 10.7411 11.0159 11.0170 k = 0.3333 0.5000 0.3333 ( 5888 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7530 -31.7530 -31.7529 -31.7529 -6.8754 -6.8749 -6.6032 -6.6032 -6.5174 -6.5155 -6.4809 -6.4797 0.8245 0.8299 0.8998 0.9026 0.9924 0.9940 1.6647 1.6669 2.0891 2.1067 2.1447 2.1540 2.1962 2.2082 2.2943 2.2957 2.3316 2.3322 2.6599 2.6630 2.8202 2.8303 2.8848 2.8866 3.7288 3.7450 3.8396 3.9098 3.9246 3.9535 3.9681 4.0322 4.0664 4.0678 4.0838 4.0874 4.2719 4.3381 4.3603 4.3639 4.4761 4.4868 4.5828 4.6508 4.6554 4.6946 4.7591 4.7832 6.0460 6.0461 6.1514 6.1519 6.2044 6.2045 7.8797 7.8836 7.9515 7.9550 8.3761 8.3817 8.5716 8.5767 8.5831 8.5843 10.7560 10.7627 11.0761 11.0772 k = 0.3214 0.5000 0.3214 ( 5896 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7530 -31.7530 -31.7529 -31.7529 -6.8938 -6.8933 -6.6066 -6.6065 -6.5081 -6.5061 -6.4717 -6.4705 0.8255 0.8313 0.9113 0.9141 1.0160 1.0174 1.6760 1.6786 2.0788 2.0959 2.1375 2.1445 2.1912 2.2019 2.2980 2.2991 2.3366 2.3384 2.6413 2.6443 2.8265 2.8367 2.8941 2.8957 3.7199 3.7399 3.8404 3.9035 3.9219 3.9568 3.9704 4.0359 4.0662 4.0678 4.0862 4.0891 4.2708 4.3393 4.3641 4.3665 4.4776 4.4900 4.5957 4.6590 4.6653 4.6983 4.7803 4.8088 6.0062 6.0075 6.1193 6.1193 6.1702 6.1717 7.8686 7.8729 7.9392 7.9437 8.3487 8.3533 8.5584 8.5629 8.5707 8.5711 10.7785 10.7853 11.1392 11.1403 k = 0.3095 0.5000 0.3095 ( 5896 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7530 -31.7530 -31.7528 -31.7528 -6.9122 -6.9117 -6.6102 -6.6102 -6.4984 -6.4963 -6.4624 -6.4612 0.8260 0.8321 0.9227 0.9256 1.0400 1.0412 1.6865 1.6897 2.0688 2.0854 2.1305 2.1353 2.1860 2.1955 2.3025 2.3034 2.3420 2.3451 2.6224 2.6252 2.8341 2.8443 2.9038 2.9053 3.7106 3.7339 3.8416 3.8974 3.9192 3.9612 3.9719 4.0385 4.0664 4.0676 4.0885 4.0911 4.2711 4.3413 4.3686 4.3705 4.4784 4.4933 4.6071 4.6627 4.6790 4.7011 4.8015 4.8344 5.9670 5.9701 6.0865 6.0875 6.1348 6.1384 7.8581 7.8629 7.9258 7.9314 8.3225 8.3259 8.5441 8.5477 8.5569 8.5577 10.8017 10.8085 11.2049 11.2061 k = 0.2976 0.5000 0.2976 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7530 -31.7530 -31.7528 -31.7528 -6.9307 -6.9301 -6.6142 -6.6142 -6.4883 -6.4862 -6.4531 -6.4519 0.8257 0.8322 0.9339 0.9370 1.0641 1.0650 1.6961 1.6998 2.0592 2.0755 2.1237 2.1264 2.1808 2.1892 2.3079 2.3087 2.3480 2.3522 2.6033 2.6059 2.8431 2.8531 2.9141 2.9154 3.7013 3.7271 3.8427 3.8916 3.9165 3.9666 3.9725 4.0400 4.0668 4.0670 4.0906 4.0938 4.2729 4.3442 4.3733 4.3757 4.4783 4.4970 4.6145 4.6690 4.6871 4.7077 4.8227 4.8600 5.9283 5.9336 6.0540 6.0562 6.0986 6.1051 7.8483 7.8535 7.9109 7.9179 8.2978 8.2998 8.5287 8.5313 8.5420 8.5440 10.8253 10.8321 11.2730 11.2742 k = 0.2857 0.5000 0.2857 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7530 -31.7530 -31.7528 -31.7528 -6.9490 -6.9485 -6.6184 -6.6184 -6.4780 -6.4758 -6.4438 -6.4425 0.8248 0.8316 0.9448 0.9480 1.0882 1.0888 1.7046 1.7090 2.0503 2.0661 2.1173 2.1181 2.1755 2.1830 2.3142 2.3152 2.3545 2.3598 2.5844 2.5866 2.8534 2.8630 2.9250 2.9259 3.6922 3.7197 3.8436 3.8859 3.9139 3.9719 3.9729 4.0404 4.0661 4.0676 4.0926 4.0973 4.2760 4.3478 4.3778 4.3822 4.4774 4.5011 4.6157 4.6804 4.6860 4.7217 4.8438 4.8854 5.8900 5.8981 6.0219 6.0257 6.0622 6.0724 7.8391 7.8447 7.8947 7.9031 8.2751 8.2754 8.5121 8.5137 8.5267 8.5299 10.8491 10.8557 11.3430 11.3444 k = 0.2738 0.5000 0.2738 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7530 -31.7530 -31.7528 -31.7528 -6.9673 -6.9667 -6.6229 -6.6229 -6.4674 -6.4652 -6.4344 -6.4331 0.8230 0.8301 0.9554 0.9586 1.1120 1.1122 1.7119 1.7170 2.0420 2.0574 2.1104 2.1113 2.1703 2.1769 2.3216 2.3228 2.3615 2.3677 2.5656 2.5675 2.8652 2.8743 2.9363 2.9369 3.6835 3.7120 3.8441 3.8805 3.9114 3.9701 3.9800 4.0396 4.0648 4.0684 4.0947 4.1018 4.2802 4.3519 4.3817 4.3898 4.4757 4.5055 4.6111 4.6800 4.6966 4.7390 4.8646 4.9105 5.8516 5.8629 5.9908 5.9964 6.0264 6.0410 7.8305 7.8365 7.8770 7.8868 8.2532 8.2546 8.4943 8.4951 8.5113 8.5156 10.8727 10.8792 11.4147 11.4163 k = 0.2619 0.5000 0.2619 ( 5902 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7530 -31.7530 -31.7527 -31.7527 -6.9853 -6.9847 -6.6276 -6.6276 -6.4566 -6.4544 -6.4250 -6.4237 0.8204 0.8277 0.9654 0.9686 1.1351 1.1354 1.7180 1.7237 2.0344 2.0496 2.1035 2.1059 2.1650 2.1710 2.3299 2.3314 2.3691 2.3760 2.5472 2.5487 2.8783 2.8867 2.9482 2.9484 3.6752 3.7040 3.8441 3.8752 3.9090 3.9671 3.9878 4.0377 4.0634 4.0692 4.0968 4.1074 4.2856 4.3563 4.3845 4.3982 4.4731 4.5100 4.6025 4.6709 4.7163 4.7578 4.8851 4.9351 5.8127 5.8276 5.9609 5.9682 5.9922 6.0114 7.8226 7.8288 7.8579 7.8691 8.2334 8.2367 8.4755 8.4757 8.4960 8.5011 10.8958 10.9021 11.4878 11.4896 k = 0.2500 0.5000 0.2500 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7530 -31.7530 -31.7527 -31.7527 -7.0030 -7.0024 -6.6324 -6.6324 -6.4457 -6.4435 -6.4157 -6.4144 0.8169 0.8243 0.9748 0.9781 1.1573 1.1580 1.7229 1.7292 2.0277 2.0426 2.0973 2.1010 2.1599 2.1652 2.3391 2.3410 2.3771 2.3845 2.5293 2.5304 2.8930 2.9004 2.9604 2.9606 3.6676 3.6959 3.8435 3.8701 3.9067 3.9631 3.9960 4.0346 4.0620 4.0698 4.0990 4.1139 4.2919 4.3610 4.3861 4.4073 4.4699 4.5142 4.5915 4.6595 4.7386 4.7776 4.9051 4.9592 5.7726 5.7915 5.9328 5.9407 5.9611 5.9841 7.8151 7.8217 7.8374 7.8500 8.2163 8.2213 8.4557 8.4558 8.4809 8.4866 10.9182 10.9242 11.5617 11.5640 k = 0.2381 0.5000 0.2381 ( 5916 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7530 -31.7530 -31.7527 -31.7527 -7.0204 -7.0198 -6.6374 -6.6374 -6.4347 -6.4325 -6.4064 -6.4051 0.8125 0.8200 0.9835 0.9868 1.1785 1.1797 1.7266 1.7334 2.0221 2.0367 2.0919 2.0966 2.1548 2.1596 2.3490 2.3512 2.3857 2.3933 2.5121 2.5127 2.9090 2.9154 2.9728 2.9735 3.6605 3.6879 3.8423 3.8652 3.9047 3.9583 4.0046 4.0303 4.0608 4.0703 4.1012 4.1213 4.2988 4.3659 4.3862 4.4161 4.4666 4.5172 4.5795 4.6460 4.7629 4.7984 4.9245 4.9825 5.7309 5.7537 5.9068 5.9133 5.9348 5.9596 7.8082 7.8144 7.8165 7.8296 8.2017 8.2084 8.4353 8.4356 8.4660 8.4722 10.9396 10.9453 11.6362 11.6389 k = 0.2262 0.5000 0.2262 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7529 -31.7529 -31.7526 -31.7526 -7.0373 -7.0367 -6.6425 -6.6425 -6.4238 -6.4216 -6.3972 -6.3959 0.8073 0.8148 0.9914 0.9947 1.1986 1.2003 1.7292 1.7364 2.0175 2.0319 2.0873 2.0929 2.1499 2.1543 2.3593 2.3618 2.3947 2.4023 2.4958 2.4958 2.9264 2.9316 2.9859 2.9871 3.6542 3.6800 3.8403 3.8604 3.9029 3.9529 4.0134 4.0249 4.0599 4.0707 4.1035 4.1293 4.3061 4.3709 4.3848 4.4237 4.4642 4.5173 4.5689 4.6310 4.7890 4.8200 4.9433 5.0051 5.6875 5.7140 5.8832 5.8864 5.9136 5.9380 7.7930 7.8010 7.8088 7.8092 8.1898 8.1980 8.4148 8.4151 8.4515 8.4580 10.9598 10.9651 11.7107 11.7141 k = 0.2143 0.5000 0.2143 ( 5898 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7529 -31.7529 -31.7526 -31.7526 -7.0538 -7.0532 -6.6476 -6.6476 -6.4128 -6.4107 -6.3882 -6.3869 0.8012 0.8087 0.9986 1.0018 1.2175 1.2196 1.7309 1.7383 2.0141 2.0284 2.0836 2.0898 2.1451 2.1492 2.3698 2.3725 2.4042 2.4115 2.4799 2.4806 2.9451 2.9491 2.9994 3.0012 3.6486 3.6723 3.8376 3.8558 3.9015 3.9471 4.0186 4.0223 4.0593 4.0711 4.1060 4.1376 4.3135 4.3759 4.3821 4.4274 4.4651 4.5120 4.5627 4.6147 4.8163 4.8422 4.9614 5.0265 5.6424 5.6722 5.8612 5.8620 5.8966 5.9195 7.7698 7.7843 7.7972 7.8035 8.1802 8.1898 8.3944 8.3947 8.4374 8.4441 10.9785 10.9834 11.7846 11.7890 k = 0.2024 0.5000 0.2024 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7529 -31.7529 -31.7526 -31.7526 -7.0697 -7.0691 -6.6528 -6.6527 -6.4020 -6.3999 -6.3793 -6.3781 0.7944 0.8018 1.0049 1.0081 1.2350 1.2375 1.7315 1.7392 2.0119 2.0261 2.0807 2.0873 2.1404 2.1443 2.3800 2.3830 2.4138 2.4205 2.4654 2.4669 2.9650 2.9676 3.0135 3.0159 3.6435 3.6649 3.8340 3.8513 3.9004 3.9412 4.0115 4.0311 4.0589 4.0715 4.1085 4.1459 4.3204 4.3780 4.3804 4.4257 4.4709 4.5010 4.5619 4.5977 4.8445 4.8650 4.9786 5.0468 5.5959 5.6285 5.8384 5.8432 5.8831 5.9041 7.7463 7.7616 7.7915 7.7983 8.1726 8.1834 8.3746 8.3747 8.4238 8.4305 10.9957 11.0001 11.8570 11.8630 k = 0.1905 0.5000 0.1905 ( 5924 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7529 -31.7529 -31.7525 -31.7525 -7.0850 -7.0845 -6.6579 -6.6578 -6.3914 -6.3893 -6.3706 -6.3694 0.7869 0.7942 1.0103 1.0134 1.2510 1.2539 1.7314 1.7392 2.0111 2.0252 2.0786 2.0853 2.1358 2.1397 2.3893 2.3928 2.4230 2.4290 2.4528 2.4554 2.9860 2.9872 3.0282 3.0312 3.6390 3.6576 3.8296 3.8469 3.8995 3.9354 4.0039 4.0397 4.0587 4.0718 4.1110 4.1541 4.3260 4.3728 4.3842 4.4200 4.4803 4.4873 4.5645 4.5806 4.8732 4.8879 4.9948 5.0655 5.5484 5.5835 5.8185 5.8271 5.8724 5.8914 7.7227 7.7383 7.7866 7.7934 8.1667 8.1785 8.3555 8.3556 8.4107 8.4174 11.0111 11.0150 11.9254 11.9344 k = 0.1786 0.5000 0.1786 ( 5920 PWs) bands (ev): -58.1290 -58.1290 -32.5757 -32.5757 -31.7529 -31.7529 -31.7525 -31.7525 -7.0997 -7.0992 -6.6629 -6.6629 -6.3810 -6.3790 -6.3622 -6.3611 0.7788 0.7859 1.0150 1.0180 1.2654 1.2687 1.7306 1.7383 2.0116 2.0257 2.0772 2.0840 2.1315 2.1354 2.3966 2.4010 2.4295 2.4347 2.4455 2.4493 3.0078 3.0079 3.0435 3.0472 3.6349 3.6505 3.8245 3.8426 3.8990 3.9300 3.9960 4.0480 4.0588 4.0724 4.1136 4.1619 4.3291 4.3667 4.3862 4.4128 4.4742 4.4914 4.5642 4.5687 4.9018 4.9109 5.0100 5.0826 5.5003 5.5374 5.8017 5.8138 5.8643 5.8813 7.6994 7.7150 7.7822 7.7890 8.1619 8.1744 8.3376 8.3379 8.3982 8.4049 11.0246 11.0279 11.9678 11.9762 k = 0.1667 0.5000 0.1667 ( 5930 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7525 -31.7525 -7.1137 -7.1132 -6.6678 -6.6678 -6.3710 -6.3690 -6.3541 -6.3530 0.7703 0.7772 1.0188 1.0217 1.2783 1.2818 1.7292 1.7368 2.0134 2.0275 2.0765 2.0830 2.1273 2.1313 2.3997 2.4049 2.4297 2.4352 2.4492 2.4531 3.0292 3.0304 3.0593 3.0637 3.6311 3.6435 3.8188 3.8384 3.8988 3.9252 3.9879 4.0558 4.0593 4.0730 4.1160 4.1689 4.3284 4.3593 4.3847 4.4063 4.4644 4.5028 4.5498 4.5737 4.9297 4.9336 5.0241 5.0976 5.4518 5.4908 5.7881 5.8034 5.8582 5.8733 7.6767 7.6920 7.7782 7.7849 8.1576 8.1706 8.3215 8.3220 8.3864 8.3929 11.0362 11.0389 11.9121 11.9202 k = 0.1548 0.5000 0.1548 ( 5902 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7524 -31.7524 -7.1269 -7.1264 -6.6725 -6.6725 -6.3612 -6.3593 -6.3463 -6.3453 0.7616 0.7681 1.0220 1.0247 1.2897 1.2934 1.7274 1.7346 2.0165 2.0306 2.0764 2.0826 2.1234 2.1275 2.3972 2.4014 2.4330 2.4377 2.4577 2.4609 3.0511 3.0534 3.0757 3.0809 3.6275 3.6367 3.8128 3.8343 3.8989 3.9213 3.9800 4.0594 4.0642 4.0739 4.1181 4.1752 4.3239 4.3497 4.3781 4.4017 4.4602 4.5125 4.5404 4.5792 4.9558 4.9565 5.0372 5.1103 5.4036 5.4442 5.7780 5.7961 5.8539 5.8672 7.6547 7.6696 7.7746 7.7812 8.1533 8.1665 8.3078 8.3085 8.3753 8.3816 11.0457 11.0478 11.8381 11.8492 k = 0.1429 0.5000 0.1429 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7524 -31.7524 -7.1393 -7.1389 -6.6771 -6.6771 -6.3520 -6.3502 -6.3389 -6.3379 0.7526 0.7588 1.0244 1.0270 1.2996 1.3034 1.7251 1.7319 2.0207 2.0348 2.0767 2.0825 2.1197 2.1240 2.3910 2.3938 2.4399 2.4433 2.4666 2.4693 3.0734 3.0766 3.0926 3.0987 3.6236 3.6297 3.8068 3.8302 3.8989 3.9184 3.9721 4.0602 4.0714 4.0748 4.1194 4.1802 4.3163 4.3371 4.3680 4.3966 4.4621 4.5157 4.5416 4.5850 4.9771 4.9813 5.0490 5.1205 5.3559 5.3979 5.7714 5.7920 5.8511 5.8626 7.6337 7.6480 7.7714 7.7777 8.1483 8.1613 8.2971 8.2977 8.3649 8.3710 11.0531 11.0546 11.7646 11.7770 k = 0.1310 0.5000 0.1310 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7524 -31.7524 -7.1509 -7.1505 -6.6814 -6.6814 -6.3432 -6.3415 -6.3320 -6.3310 0.7437 0.7495 1.0262 1.0287 1.3080 1.3118 1.7226 1.7289 2.0259 2.0399 2.0775 2.0827 2.1162 2.1208 2.3836 2.3856 2.4477 2.4501 2.4752 2.4774 3.0958 3.0995 3.1099 3.1170 3.6192 3.6226 3.8011 3.8263 3.8987 3.9168 3.9646 4.0611 4.0759 4.0785 4.1198 4.1839 4.3067 4.3221 4.3563 4.3887 4.4691 4.5149 4.5518 4.5911 4.9974 5.0038 5.0597 5.1281 5.3093 5.3524 5.7684 5.7911 5.8494 5.8592 7.6138 7.6274 7.7685 7.7746 8.1423 8.1547 8.2896 8.2901 8.3553 8.3611 11.0584 11.0593 11.6934 11.7064 k = 0.1190 0.5000 0.1190 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7529 -31.7529 -31.7524 -31.7524 -7.1616 -7.1612 -6.6855 -6.6855 -6.3349 -6.3333 -6.3254 -6.3246 0.7350 0.7404 1.0275 1.0297 1.3151 1.3189 1.7199 1.7257 2.0319 2.0458 2.0786 2.0832 2.1129 2.1178 2.3762 2.3777 2.4554 2.4571 2.4831 2.4850 3.1180 3.1219 3.1276 3.1357 3.6142 3.6153 3.7961 3.8224 3.8984 3.9167 3.9576 4.0621 4.0773 4.0853 4.1189 4.1860 4.2960 4.3060 4.3440 4.3772 4.4798 4.5165 4.5647 4.5971 5.0164 5.0233 5.0694 5.1327 5.2642 5.3080 5.7688 5.7932 5.8486 5.8567 7.5953 7.6079 7.7660 7.7717 8.1350 8.1465 8.2855 8.2856 8.3465 8.3519 11.0614 11.0618 11.6255 11.6387 k = 0.1071 0.5000 0.1071 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7528 -31.7528 -31.7523 -31.7523 -7.1714 -7.1710 -6.6893 -6.6892 -6.3273 -6.3258 -6.3194 -6.3186 0.7266 0.7315 1.0284 1.0304 1.3211 1.3247 1.7171 1.7223 2.0385 2.0522 2.0800 2.0839 2.1099 2.1151 2.3692 2.3704 2.4628 2.4638 2.4904 2.4921 3.1397 3.1435 3.1456 3.1547 3.6076 3.6083 3.7922 3.8188 3.8980 3.9179 3.9512 4.0630 4.0790 4.0920 4.1165 4.1866 4.2838 4.2912 4.3318 4.3629 4.4930 4.5215 4.5782 4.6032 5.0340 5.0394 5.0784 5.1342 5.2214 5.2651 5.7724 5.7980 5.8486 5.8550 7.5781 7.5898 7.7638 7.7691 8.1267 8.1371 8.2839 8.2842 8.3386 8.3435 11.0620 11.0622 11.5620 11.5752 k = 0.0952 0.5000 0.0952 ( 5894 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7528 -31.7528 -31.7523 -31.7523 -7.1803 -7.1799 -6.6927 -6.6927 -6.3203 -6.3189 -6.3139 -6.3132 0.7186 0.7230 1.0289 1.0307 1.3260 1.3293 1.7143 1.7189 2.0454 2.0588 2.0816 2.0849 2.1071 2.1126 2.3627 2.3637 2.4697 2.4701 2.4969 2.4986 3.1604 3.1637 3.1640 3.1737 3.5996 3.6014 3.7895 3.8153 3.8978 3.9204 3.9454 4.0633 4.0809 4.0986 4.1127 4.1854 4.2690 4.2803 4.3200 4.3468 4.5080 4.5293 4.5917 4.6091 5.0500 5.0519 5.0868 5.1319 5.1822 5.2242 5.7786 5.8048 5.8491 5.8538 7.5625 7.5731 7.7619 7.7668 8.1178 8.1270 8.2844 8.2851 8.3315 8.3359 11.0601 11.0608 11.5039 11.5167 k = 0.0833 0.5000 0.0833 ( 5896 PWs) bands (ev): -58.1290 -58.1290 -32.5756 -32.5756 -31.7528 -31.7528 -31.7523 -31.7523 -7.1881 -7.1878 -6.6958 -6.6958 -6.3140 -6.3128 -6.3090 -6.3083 0.7113 0.7152 1.0291 1.0307 1.3299 1.3330 1.7116 1.7156 2.0523 2.0652 2.0832 2.0861 2.1047 2.1103 2.3569 2.3578 2.4757 2.4758 2.5027 2.5043 3.1794 3.1821 3.1832 3.1920 3.5912 3.5934 3.7880 3.8121 3.8981 3.9239 3.9401 4.0624 4.0832 4.1047 4.1085 4.1826 4.2535 4.2726 4.3086 4.3299 4.5240 4.5390 4.6048 4.6144 5.0609 5.0642 5.0945 5.1216 5.1519 5.1859 5.7869 5.8130 5.8501 5.8530 7.5485 7.5579 7.7604 7.7647 8.1087 8.1167 8.2867 8.2875 8.3253 8.3291 11.0561 11.0571 11.4523 11.4644 k = 0.0714 0.5000 0.0714 ( 5914 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.1950 -7.1948 -6.6986 -6.6986 -6.3084 -6.3074 -6.3046 -6.3041 0.7046 0.7080 1.0291 1.0305 1.3330 1.3358 1.7091 1.7125 2.0588 2.0711 2.0850 2.0876 2.1027 2.1082 2.3517 2.3525 2.4807 2.4812 2.5077 2.5092 3.1969 3.1999 3.2011 3.2090 3.5827 3.5848 3.7876 3.8091 3.8989 3.9285 3.9354 4.0587 4.0859 4.1032 4.1124 4.1782 4.2387 4.2672 4.2971 4.3136 4.5408 4.5499 4.6168 4.6190 5.0669 5.0761 5.0975 5.1002 5.1377 5.1516 5.7965 5.8218 5.8515 5.8526 7.5363 7.5445 7.7591 7.7629 8.1000 8.1068 8.2898 8.2907 8.3201 8.3232 11.0502 11.0514 11.4079 11.4190 k = 0.0595 0.5000 0.0595 ( 5906 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2009 -7.2006 -6.7009 -6.7009 -6.3037 -6.3028 -6.3008 -6.3004 0.6989 0.7017 1.0290 1.0302 1.3355 1.3379 1.7070 1.7098 2.0647 2.0762 2.0868 2.0893 2.1012 2.1063 2.3472 2.3480 2.4851 2.4859 2.5119 2.5134 3.2131 3.2163 3.2175 3.2243 3.5741 3.5759 3.7882 3.8064 3.9003 3.9312 3.9342 4.0514 4.0890 4.1012 4.1188 4.1725 4.2256 4.2638 4.2843 4.3000 4.5578 4.5614 4.6227 4.6275 5.0668 5.0702 5.0892 5.0989 5.1272 5.1302 5.8066 5.8303 5.8525 5.8531 7.5259 7.5328 7.7580 7.7613 8.0921 8.0978 8.2935 8.2942 8.3157 8.3181 11.0429 11.0441 11.3712 11.3810 k = 0.0476 0.5000 0.0476 ( 5890 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2057 -7.2055 -6.7029 -6.7029 -6.2997 -6.2990 -6.2977 -6.2974 0.6941 0.6964 1.0289 1.0298 1.3374 1.3394 1.7051 1.7074 2.0698 2.0800 2.0888 2.0913 2.1002 2.1046 2.3435 2.3442 2.4888 2.4897 2.5155 2.5168 3.2278 3.2305 3.2320 3.2372 3.5661 3.5672 3.7895 3.8040 3.9024 3.9275 3.9413 4.0405 4.0925 4.1016 4.1250 4.1660 4.2149 4.2623 4.2694 4.2902 4.5730 4.5746 4.6252 4.6359 5.0425 5.0669 5.0861 5.0971 5.1220 5.1241 5.8162 5.8375 5.8530 5.8550 7.5175 7.5230 7.7573 7.7599 8.0853 8.0898 8.2971 8.2974 8.3123 8.3139 11.0349 11.0360 11.3424 11.3505 k = 0.0357 0.5000 0.0357 ( 5894 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2094 -7.2093 -6.7044 -6.7044 -6.2966 -6.2961 -6.2952 -6.2950 0.6903 0.6920 1.0287 1.0294 1.3389 1.3404 1.7037 1.7053 2.0739 2.0821 2.0909 2.0935 2.0999 2.1030 2.3406 2.3412 2.4918 2.4926 2.5183 2.5193 3.2403 3.2423 3.2440 3.2475 3.5589 3.5595 3.7910 3.8018 3.9050 3.9240 3.9498 4.0272 4.0964 4.1034 4.1302 4.1590 4.2076 4.2538 4.2622 4.2828 4.5841 4.5903 4.6264 4.6414 5.0231 5.0493 5.0833 5.1023 5.1196 5.1234 5.8248 5.8420 5.8548 5.8571 7.5109 7.5151 7.7568 7.7588 8.0799 8.0833 8.3000 8.3003 8.3100 8.3106 11.0270 11.0279 11.3211 11.3273 k = 0.0238 0.5000 0.0238 ( 5902 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2121 -7.2120 -6.7055 -6.7055 -6.2944 -6.2940 -6.2934 -6.2932 0.6877 0.6888 1.0286 1.0291 1.3399 1.3409 1.7027 1.7037 2.0770 2.0827 2.0930 2.0954 2.1001 2.1015 2.3385 2.3389 2.4940 2.4946 2.5203 2.5211 3.2502 3.2512 3.2529 3.2547 3.5531 3.5533 3.7928 3.7999 3.9079 3.9206 3.9598 4.0128 4.1003 4.1055 4.1342 4.1520 4.2050 4.2390 4.2633 4.2770 4.5942 4.6034 4.6271 4.6434 5.0102 5.0300 5.0856 5.1021 5.1192 5.1246 5.8317 5.8433 5.8575 5.8590 7.5064 7.5092 7.7565 7.7578 8.0760 8.0783 8.3017 8.3026 8.3084 8.3087 11.0205 11.0211 11.3068 11.3110 k = 0.0119 0.5000 0.0119 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2137 -7.2137 -6.7062 -6.7062 -6.2931 -6.2929 -6.2922 -6.2921 0.6862 0.6867 1.0286 1.0288 1.3406 1.3411 1.7021 1.7027 2.0794 2.0823 2.0947 2.0964 2.1003 2.1005 2.3373 2.3375 2.4954 2.4957 2.5216 2.5220 3.2567 3.2570 3.2582 3.2588 3.5493 3.5494 3.7945 3.7980 3.9109 3.9173 3.9714 3.9983 4.1039 4.1069 4.1373 4.1458 4.2076 4.2257 4.2654 4.2722 4.6027 4.6102 4.6301 4.6415 5.0045 5.0151 5.0891 5.0982 5.1215 5.1248 5.8369 5.8426 5.8599 5.8604 7.5040 7.5054 7.7565 7.7571 8.0739 8.0750 8.3026 8.3034 8.3076 8.3082 11.0162 11.0164 11.2989 11.3010 k = 0.0000 0.5000-0.0000 ( 5910 PWs) bands (ev): -58.1290 -58.1290 -32.5755 -32.5755 -31.7528 -31.7528 -31.7523 -31.7523 -7.2142 -7.2142 -6.7064 -6.7064 -6.2926 -6.2926 -6.2917 -6.2917 0.6859 0.6859 1.0286 1.0286 1.3410 1.3410 1.7021 1.7021 2.0811 2.0811 2.0960 2.0960 2.1003 2.1003 2.3369 2.3369 2.4959 2.4959 2.5222 2.5222 3.2595 3.2595 3.2596 3.2596 3.5480 3.5480 3.7962 3.7962 3.9141 3.9141 3.9843 3.9843 4.1063 4.1063 4.1409 4.1409 4.2149 4.2149 4.2684 4.2684 4.6087 4.6087 4.6363 4.6363 5.0063 5.0063 5.0935 5.0935 5.1237 5.1237 5.8404 5.8404 5.8609 5.8609 7.5036 7.5036 7.7567 7.7567 8.0735 8.0735 8.3031 8.3031 8.3079 8.3079 11.0147 11.0147 11.2970 11.2970 k = 0.5000 0.5000-0.0000 ( 5912 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9216 -6.9216 -6.6060 -6.6060 -6.5984 -6.5984 -6.3886 -6.3886 1.0402 1.0402 1.0492 1.0492 1.0890 1.0890 1.9478 1.9478 2.0477 2.0477 2.0735 2.0735 2.1032 2.1032 2.1168 2.1168 2.4331 2.4331 2.5653 2.5653 2.7535 2.7535 2.7680 2.7680 3.6849 3.6849 3.8787 3.8787 3.9036 3.9036 4.0143 4.0143 4.0782 4.0782 4.2243 4.2243 4.2624 4.2624 4.5909 4.5909 4.6046 4.6046 4.6735 4.6735 4.7338 4.7338 4.8217 4.8217 5.4989 5.4989 5.5196 5.5196 6.2872 6.2872 7.7152 7.7152 7.9356 7.9356 8.0760 8.0760 8.4926 8.4926 8.4999 8.4999 11.5890 11.5890 11.5930 11.5930 k = 0.5000 0.5000 0.0167 ( 5892 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9212 -6.9212 -6.6059 -6.6059 -6.5983 -6.5983 -6.3889 -6.3889 1.0395 1.0395 1.0484 1.0484 1.0881 1.0881 1.9448 1.9448 2.0497 2.0497 2.0738 2.0738 2.1037 2.1037 2.1172 2.1172 2.4329 2.4329 2.5665 2.5665 2.7537 2.7537 2.7682 2.7682 3.6854 3.6854 3.8790 3.8790 3.9033 3.9033 4.0145 4.0145 4.0784 4.0784 4.2232 4.2232 4.2615 4.2615 4.5900 4.5900 4.6044 4.6044 4.6735 4.6735 4.7333 4.7333 4.8218 4.8218 5.5010 5.5010 5.5228 5.5228 6.2876 6.2876 7.7144 7.7144 7.9385 7.9385 8.0759 8.0759 8.4932 8.4932 8.5004 8.5004 11.5864 11.5864 11.5904 11.5904 k = 0.5000 0.5000 0.0333 ( 5892 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7525 -31.7525 -6.9200 -6.9200 -6.6058 -6.6058 -6.5982 -6.5982 -6.3898 -6.3898 1.0372 1.0372 1.0462 1.0462 1.0856 1.0856 1.9363 1.9363 2.0548 2.0548 2.0748 2.0748 2.1051 2.1051 2.1185 2.1185 2.4321 2.4321 2.5700 2.5700 2.7541 2.7541 2.7687 2.7687 3.6866 3.6866 3.8797 3.8797 3.9023 3.9023 4.0152 4.0152 4.0788 4.0788 4.2200 4.2200 4.2588 4.2588 4.5874 4.5874 4.6037 4.6037 4.6734 4.6734 4.7314 4.7314 4.8221 4.8221 5.5074 5.5074 5.5321 5.5321 6.2889 6.2889 7.7123 7.7123 7.9469 7.9469 8.0757 8.0757 8.4949 8.4949 8.5021 8.5021 11.5788 11.5788 11.5827 11.5827 k = 0.5000 0.5000 0.0500 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7526 -31.7526 -6.9180 -6.9180 -6.6056 -6.6056 -6.5980 -6.5980 -6.3913 -6.3913 1.0335 1.0335 1.0424 1.0424 1.0814 1.0814 1.9238 1.9238 2.0616 2.0616 2.0766 2.0766 2.1074 2.1074 2.1206 2.1206 2.4308 2.4308 2.5757 2.5757 2.7548 2.7548 2.7695 2.7695 3.6886 3.6886 3.8809 3.8809 3.9008 3.9008 4.0162 4.0162 4.0795 4.0795 4.2147 4.2147 4.2544 4.2544 4.5834 4.5834 4.6023 4.6023 4.6729 4.6729 4.7285 4.7285 4.8224 4.8224 5.5185 5.5185 5.5469 5.5469 6.2911 6.2911 7.7094 7.7094 7.9602 7.9602 8.0753 8.0753 8.4977 8.4977 8.5048 8.5048 11.5661 11.5661 11.5698 11.5698 k = 0.5000 0.5000 0.0667 ( 5912 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7526 -31.7526 -6.9153 -6.9153 -6.6052 -6.6052 -6.5977 -6.5977 -6.3933 -6.3933 1.0284 1.0284 1.0373 1.0373 1.0757 1.0757 1.9087 1.9087 2.0685 2.0685 2.0797 2.0797 2.1106 2.1106 2.1235 2.1235 2.4290 2.4290 2.5834 2.5834 2.7557 2.7557 2.7706 2.7706 3.6915 3.6915 3.8825 3.8825 3.8986 3.8986 4.0175 4.0175 4.0804 4.0804 4.2077 4.2077 4.2486 4.2486 4.5784 4.5784 4.6002 4.6002 4.6718 4.6718 4.7245 4.7245 4.8226 4.8226 5.5344 5.5344 5.5668 5.5668 6.2941 6.2941 7.7063 7.7063 7.9778 7.9778 8.0749 8.0749 8.5016 8.5016 8.5086 8.5086 11.5484 11.5484 11.5519 11.5519 k = 0.5000 0.5000 0.0833 ( 5916 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7526 -31.7526 -6.9118 -6.9118 -6.6048 -6.6048 -6.5974 -6.5974 -6.3960 -6.3960 1.0220 1.0220 1.0309 1.0309 1.0684 1.0684 1.8917 1.8917 2.0740 2.0740 2.0851 2.0851 2.1146 2.1146 2.1273 2.1273 2.4267 2.4267 2.5929 2.5929 2.7569 2.7569 2.7721 2.7721 3.6950 3.6950 3.8846 3.8846 3.8958 3.8958 4.0191 4.0191 4.0815 4.0815 4.1993 4.1993 4.2417 4.2417 4.5726 4.5726 4.5974 4.5974 4.6698 4.6698 4.7195 4.7195 4.8227 4.8227 5.5551 5.5551 5.5912 5.5912 6.2979 6.2979 7.7037 7.7037 7.9988 7.9988 8.0746 8.0746 8.5065 8.5065 8.5134 8.5134 11.5257 11.5257 11.5289 11.5289 k = 0.5000 0.5000 0.1000 ( 5932 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7526 -31.7526 -6.9075 -6.9075 -6.6043 -6.6043 -6.5969 -6.5969 -6.3992 -6.3992 1.0143 1.0143 1.0232 1.0232 1.0597 1.0597 1.8735 1.8735 2.0780 2.0780 2.0922 2.0922 2.1193 2.1193 2.1317 2.1317 2.4238 2.4238 2.6039 2.6039 2.7583 2.7583 2.7738 2.7738 3.6993 3.6993 3.8870 3.8870 3.8927 3.8927 4.0207 4.0207 4.0828 4.0828 4.1897 4.1897 4.2342 4.2342 4.5660 4.5660 4.5938 4.5938 4.6666 4.6666 4.7138 4.7138 4.8223 4.8223 5.5804 5.5804 5.6196 5.6196 6.3024 6.3024 7.7022 7.7022 8.0222 8.0222 8.0748 8.0748 8.5123 8.5123 8.5190 8.5190 11.4981 11.4981 11.5011 11.5011 k = 0.5000 0.5000 0.1167 ( 5924 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7526 -31.7526 -6.9025 -6.9025 -6.6037 -6.6037 -6.5964 -6.5964 -6.4031 -6.4031 1.0056 1.0056 1.0145 1.0145 1.0497 1.0497 1.8545 1.8545 2.0816 2.0816 2.1000 2.1000 2.1246 2.1246 2.1370 2.1370 2.4206 2.4206 2.6160 2.6160 2.7600 2.7600 2.7758 2.7758 3.7043 3.7043 3.8886 3.8886 3.8903 3.8903 4.0225 4.0225 4.0842 4.0842 4.1792 4.1792 4.2264 4.2264 4.5589 4.5589 4.5897 4.5897 4.6620 4.6620 4.7074 4.7074 4.8214 4.8214 5.6101 5.6101 5.6518 5.6518 6.3077 6.3077 7.7021 7.7021 8.0453 8.0453 8.0776 8.0776 8.5189 8.5189 8.5255 8.5255 11.4660 11.4660 11.4686 11.4686 k = 0.5000 0.5000 0.1333 ( 5916 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7526 -31.7526 -6.8968 -6.8968 -6.6031 -6.6031 -6.5959 -6.5959 -6.4074 -6.4074 0.9958 0.9958 1.0047 1.0047 1.0385 1.0385 1.8351 1.8351 2.0852 2.0852 2.1079 2.1079 2.1304 2.1304 2.1429 2.1429 2.4168 2.4168 2.6291 2.6291 2.7619 2.7619 2.7781 2.7781 3.7100 3.7100 3.8850 3.8850 3.8932 3.8932 4.0242 4.0242 4.0855 4.0855 4.1680 4.1680 4.2190 4.2190 4.5513 4.5513 4.5850 4.5850 4.6561 4.6561 4.7005 4.7005 4.8197 4.8197 5.6438 5.6438 5.6872 5.6872 6.3136 6.3136 7.7037 7.7037 8.0594 8.0594 8.0914 8.0914 8.5262 8.5262 8.5327 8.5327 11.4296 11.4296 11.4317 11.4317 k = 0.5000 0.5000 0.1500 ( 5916 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7527 -31.7527 -6.8903 -6.8903 -6.6024 -6.6024 -6.5953 -6.5953 -6.4124 -6.4124 0.9852 0.9852 0.9940 0.9940 1.0262 1.0262 1.8154 1.8154 2.0892 2.0892 2.1158 2.1158 2.1366 2.1366 2.1494 2.1494 2.4127 2.4127 2.6428 2.6428 2.7640 2.7640 2.7806 2.7806 3.7162 3.7162 3.8807 3.8807 3.8968 3.8968 4.0258 4.0258 4.0866 4.0866 4.1564 4.1564 4.2124 4.2124 4.5431 4.5431 4.5800 4.5800 4.6487 4.6487 4.6930 4.6930 4.8170 4.8170 5.6810 5.6810 5.7256 5.7256 6.3201 6.3201 7.7073 7.7073 8.0623 8.0623 8.1181 8.1181 8.5342 8.5342 8.5405 8.5405 11.3891 11.3891 11.3909 11.3909 k = 0.5000 0.5000 0.1667 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5758 -32.5758 -31.7531 -31.7531 -31.7527 -31.7527 -6.8832 -6.8832 -6.6016 -6.6016 -6.5946 -6.5946 -6.4179 -6.4179 0.9739 0.9739 0.9827 0.9827 1.0131 1.0131 1.7956 1.7956 2.0935 2.0935 2.1236 2.1236 2.1432 2.1432 2.1565 2.1565 2.4081 2.4081 2.6567 2.6567 2.7663 2.7663 2.7833 2.7833 3.7227 3.7227 3.8764 3.8764 3.9006 3.9006 4.0273 4.0273 4.0872 4.0872 4.1448 4.1448 4.2072 4.2072 4.5344 4.5344 4.5746 4.5746 4.6400 4.6400 4.6852 4.6852 4.8132 4.8132 5.7212 5.7212 5.7664 5.7664 6.3271 6.3271 7.7131 7.7131 8.0620 8.0620 8.1494 8.1494 8.5426 8.5426 8.5487 8.5487 11.3452 11.3452 11.3467 11.3467 k = 0.5000 0.5000 0.1833 ( 5924 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7531 -31.7531 -31.7527 -31.7527 -6.8755 -6.8755 -6.6008 -6.6008 -6.5939 -6.5939 -6.4240 -6.4240 0.9621 0.9621 0.9707 0.9707 0.9992 0.9992 1.7758 1.7758 2.0981 2.0981 2.1314 2.1314 2.1499 2.1499 2.1641 2.1641 2.4030 2.4030 2.6707 2.6707 2.7686 2.7686 2.7862 2.7862 3.7295 3.7295 3.8720 3.8720 3.9046 3.9046 4.0284 4.0284 4.0871 4.0871 4.1332 4.1332 4.2037 4.2037 4.5253 4.5253 4.5689 4.5689 4.6301 4.6301 4.6771 4.6771 4.8081 4.8081 5.7640 5.7640 5.8093 5.8093 6.3346 6.3346 7.7211 7.7211 8.0607 8.0607 8.1827 8.1827 8.5514 8.5514 8.5573 8.5573 11.2983 11.2983 11.2995 11.2995 k = 0.5000 0.5000 0.2000 ( 5912 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7531 -31.7531 -31.7527 -31.7527 -6.8671 -6.8671 -6.5999 -6.5999 -6.5931 -6.5931 -6.4306 -6.4306 0.9498 0.9498 0.9584 0.9584 0.9848 0.9848 1.7563 1.7563 2.1031 2.1031 2.1392 2.1392 2.1568 2.1568 2.1721 2.1721 2.3976 2.3976 2.6845 2.6845 2.7712 2.7712 2.7892 2.7892 3.7364 3.7364 3.8678 3.8678 3.9088 3.9088 4.0293 4.0293 4.0860 4.0860 4.1223 4.1223 4.2023 4.2023 4.5157 4.5157 4.5631 4.5631 4.6192 4.6192 4.6686 4.6686 4.8018 4.8018 5.8089 5.8089 5.8539 5.8539 6.3424 6.3424 7.7313 7.7313 8.0590 8.0590 8.2171 8.2171 8.5603 8.5603 8.5660 8.5660 11.2489 11.2489 11.2501 11.2501 k = 0.5000 0.5000 0.2167 ( 5928 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7531 -31.7531 -31.7528 -31.7528 -6.8582 -6.8582 -6.5990 -6.5990 -6.5924 -6.5924 -6.4377 -6.4377 0.9372 0.9372 0.9457 0.9457 0.9700 0.9700 1.7371 1.7371 2.1084 2.1084 2.1470 2.1470 2.1637 2.1637 2.1803 2.1803 2.3919 2.3919 2.6979 2.6979 2.7738 2.7738 2.7923 2.7923 3.7431 3.7431 3.8640 3.8640 3.9131 3.9131 4.0297 4.0297 4.0837 4.0837 4.1123 4.1123 4.2031 4.2031 4.5058 4.5058 4.5572 4.5572 4.6074 4.6074 4.6599 4.6599 4.7941 4.7941 5.8555 5.8555 5.8997 5.8997 6.3505 6.3505 7.7437 7.7437 8.0571 8.0571 8.2523 8.2523 8.5693 8.5693 8.5748 8.5748 11.1976 11.1976 11.1991 11.1991 k = 0.5000 0.5000 0.2333 ( 5916 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7531 -31.7531 -31.7528 -31.7528 -6.8487 -6.8487 -6.5981 -6.5981 -6.5916 -6.5916 -6.4453 -6.4453 0.9245 0.9245 0.9329 0.9329 0.9550 0.9550 1.7184 1.7184 2.1141 2.1141 2.1548 2.1548 2.1708 2.1708 2.1888 2.1888 2.3858 2.3858 2.7108 2.7108 2.7765 2.7765 2.7956 2.7956 3.7493 3.7493 3.8609 3.8609 3.9175 3.9175 4.0296 4.0296 4.0800 4.0800 4.1042 4.1042 4.2061 4.2061 4.4957 4.4957 4.5514 4.5514 4.5951 4.5951 4.6509 4.6509 4.7850 4.7850 5.9031 5.9031 5.9464 5.9464 6.3588 6.3588 7.7583 7.7583 8.0550 8.0550 8.2878 8.2878 8.5782 8.5782 8.5835 8.5835 11.1452 11.1452 11.1471 11.1471 k = 0.5000 0.5000 0.2500 ( 5940 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7531 -31.7531 -31.7528 -31.7528 -6.8387 -6.8387 -6.5972 -6.5972 -6.5908 -6.5908 -6.4534 -6.4534 0.9117 0.9117 0.9201 0.9201 0.9400 0.9400 1.7002 1.7002 2.1201 2.1201 2.1627 2.1627 2.1776 2.1776 2.1972 2.1972 2.3793 2.3793 2.7230 2.7230 2.7792 2.7792 2.7989 2.7989 3.7547 3.7547 3.8588 3.8588 3.9218 3.9218 4.0286 4.0286 4.0750 4.0750 4.0979 4.0979 4.2110 4.2110 4.4855 4.4855 4.5456 4.5456 4.5824 4.5824 4.6417 4.6417 4.7742 4.7742 5.9514 5.9514 5.9936 5.9936 6.3672 6.3672 7.7748 7.7748 8.0529 8.0529 8.3233 8.3233 8.5868 8.5868 8.5919 8.5919 11.0924 11.0924 11.0946 11.0946 k = 0.5000 0.5000 0.2667 ( 5924 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7531 -31.7531 -31.7529 -31.7529 -6.8282 -6.8282 -6.5962 -6.5962 -6.5900 -6.5900 -6.4620 -6.4620 0.8992 0.8992 0.9075 0.9075 0.9251 0.9251 1.6826 1.6826 2.1264 2.1264 2.1707 2.1707 2.1845 2.1845 2.2057 2.2057 2.3726 2.3726 2.7344 2.7344 2.7819 2.7819 2.8023 2.8023 3.7590 3.7590 3.8582 3.8582 3.9261 3.9261 4.0266 4.0266 4.0696 4.0696 4.0934 4.0934 4.2178 4.2178 4.4752 4.4752 4.5399 4.5399 4.5695 4.5695 4.6325 4.6325 4.7622 4.7622 5.9999 5.9999 6.0408 6.0408 6.3757 6.3757 7.7932 7.7932 8.0507 8.0507 8.3585 8.3585 8.5951 8.5951 8.6000 8.6000 11.0397 11.0397 11.0424 11.0424 k = 0.5000 0.5000 0.2833 ( 5924 PWs) bands (ev): -58.1290 -58.1290 -32.5759 -32.5759 -31.7531 -31.7531 -31.7529 -31.7529 -6.8174 -6.8174 -6.5953 -6.5953 -6.5892 -6.5892 -6.4710 -6.4710 0.8868 0.8868 0.8951 0.8951 0.9106 0.9106 1.6658 1.6658 2.1329 2.1329 2.1786 2.1786 2.1911 2.1911 2.2140 2.2140 2.3657 2.3657 2.7450 2.7450 2.7847 2.7847 2.8057 2.8057 3.7618 3.7618 3.8592 3.8592 3.9303 3.9303 4.0233 4.0233 4.0650 4.0650 4.0901 4.0901 4.2263 4.2263 4.4651 4.4651 4.5342 4.5342 4.5568 4.5568 4.6231 4.6231 4.7486 4.7486 6.0480 6.0480 6.0875 6.0875 6.3840 6.3840 7.8130 7.8130 8.0484 8.0484 8.3930 8.3930 8.6029 8.6029 8.6076 8.6076 10.9879 10.9879 10.9910 10.9910 k = 0.5000 0.5000 0.3000 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7529 -31.7529 -6.8061 -6.8061 -6.5944 -6.5944 -6.5885 -6.5885 -6.4804 -6.4804 0.8748 0.8748 0.8831 0.8831 0.8965 0.8965 1.6498 1.6498 2.1398 2.1398 2.1866 2.1866 2.1974 2.1974 2.2221 2.2221 2.3586 2.3586 2.7546 2.7546 2.7874 2.7874 2.8090 2.8090 3.7631 3.7631 3.8619 3.8619 3.9343 3.9343 4.0186 4.0186 4.0617 4.0617 4.0874 4.0874 4.2363 4.2363 4.4552 4.4552 4.5285 4.5285 4.5447 4.5447 4.6138 4.6138 4.7338 4.7338 6.0954 6.0954 6.1333 6.1333 6.3923 6.3923 7.8342 7.8342 8.0462 8.0462 8.4264 8.4264 8.6100 8.6100 8.6146 8.6146 10.9374 10.9374 10.9410 10.9410 k = 0.5000 0.5000 0.3167 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7529 -31.7529 -6.7946 -6.7946 -6.5935 -6.5935 -6.5877 -6.5877 -6.4902 -6.4902 0.8634 0.8634 0.8717 0.8717 0.8831 0.8831 1.6348 1.6348 2.1469 2.1469 2.1943 2.1943 2.2035 2.2035 2.2298 2.2298 2.3512 2.3512 2.7633 2.7633 2.7900 2.7900 2.8124 2.8124 3.7630 3.7630 3.8662 3.8662 3.9380 3.9380 4.0128 4.0128 4.0598 4.0598 4.0852 4.0852 4.2477 4.2477 4.4456 4.4456 4.5221 4.5221 4.5340 4.5340 4.6045 4.6045 4.7175 4.7175 6.1415 6.1415 6.1778 6.1778 6.4004 6.4004 7.8563 7.8563 8.0440 8.0440 8.4585 8.4585 8.6165 8.6165 8.6209 8.6209 10.8889 10.8889 10.8929 10.8929 k = 0.5000 0.5000 0.3333 ( 5900 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7530 -31.7530 -6.7828 -6.7828 -6.5927 -6.5927 -6.5870 -6.5870 -6.5003 -6.5003 0.8525 0.8525 0.8608 0.8608 0.8704 0.8704 1.6207 1.6207 2.1541 2.1541 2.2019 2.2019 2.2091 2.2091 2.2371 2.2371 2.3438 2.3438 2.7710 2.7710 2.7925 2.7925 2.8156 2.8156 3.7617 3.7617 3.8717 3.8717 3.9414 3.9414 4.0062 4.0062 4.0590 4.0590 4.0833 4.0833 4.2602 4.2602 4.4365 4.4365 4.5136 4.5136 4.5263 4.5263 4.5952 4.5952 4.7002 4.7002 6.1858 6.1858 6.2204 6.2204 6.4082 6.4082 7.8790 7.8790 8.0419 8.0419 8.4888 8.4888 8.6222 8.6222 8.6264 8.6264 10.8429 10.8429 10.8472 10.8472 k = 0.5000 0.5000 0.3500 ( 5908 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7530 -31.7530 -6.7708 -6.7708 -6.5919 -6.5919 -6.5864 -6.5864 -6.5106 -6.5106 0.8422 0.8422 0.8507 0.8507 0.8586 0.8586 1.6077 1.6077 2.1615 2.1615 2.2092 2.2092 2.2143 2.2143 2.2439 2.2439 2.3362 2.3362 2.7779 2.7779 2.7948 2.7948 2.8187 2.8187 3.7597 3.7597 3.8782 3.8782 3.9445 3.9445 3.9993 3.9993 4.0590 4.0590 4.0816 4.0816 4.2738 4.2738 4.4280 4.4280 4.5037 4.5037 4.5212 4.5212 4.5862 4.5862 4.6818 4.6818 6.2278 6.2278 6.2607 6.2607 6.4157 6.4157 7.9017 7.9017 8.0399 8.0399 8.5171 8.5171 8.6271 8.6271 8.6312 8.6312 10.7999 10.7999 10.8045 10.8045 k = 0.5000 0.5000 0.3667 ( 5924 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7530 -31.7530 -6.7588 -6.7588 -6.5912 -6.5912 -6.5858 -6.5858 -6.5212 -6.5212 0.8328 0.8328 0.8414 0.8414 0.8478 0.8478 1.5959 1.5959 2.1691 2.1691 2.2159 2.2159 2.2191 2.2191 2.2500 2.2500 2.3287 2.3287 2.7838 2.7838 2.7970 2.7970 2.8215 2.8215 3.7572 3.7572 3.8852 3.8852 3.9472 3.9472 3.9924 3.9924 4.0594 4.0594 4.0800 4.0800 4.2882 4.2882 4.4202 4.4202 4.4938 4.4938 4.5176 4.5176 4.5774 4.5774 4.6625 4.6625 6.2671 6.2671 6.2980 6.2980 6.4229 6.4229 7.9242 7.9242 8.0380 8.0380 8.5430 8.5430 8.6313 8.6313 8.6352 8.6352 10.7603 10.7603 10.7651 10.7651 k = 0.5000 0.5000 0.3833 ( 5924 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7530 -31.7530 -6.7468 -6.7468 -6.5906 -6.5906 -6.5852 -6.5852 -6.5318 -6.5318 0.8242 0.8242 0.8330 0.8330 0.8382 0.8382 1.5853 1.5853 2.1767 2.1767 2.2214 2.2214 2.2241 2.2241 2.2554 2.2554 2.3214 2.3214 2.7888 2.7888 2.7990 2.7990 2.8242 2.8242 3.7545 3.7545 3.8926 3.8926 3.9495 3.9495 3.9857 3.9857 4.0603 4.0603 4.0787 4.0787 4.3034 4.3034 4.4132 4.4132 4.4847 4.4847 4.5149 4.5149 4.5690 4.5690 4.6426 4.6426 6.3031 6.3031 6.3319 6.3319 6.4299 6.4299 7.9457 7.9457 8.0362 8.0362 8.5663 8.5663 8.6347 8.6347 8.6384 8.6384 10.7244 10.7244 10.7294 10.7294 k = 0.5000 0.5000 0.4000 ( 5924 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7351 -6.7351 -6.5900 -6.5900 -6.5848 -6.5848 -6.5424 -6.5424 0.8165 0.8165 0.8256 0.8256 0.8296 0.8296 1.5759 1.5759 2.1843 2.1843 2.2252 2.2252 2.2298 2.2298 2.2598 2.2598 2.3143 2.3143 2.7931 2.7931 2.8008 2.8008 2.8266 2.8266 3.7519 3.7519 3.9000 3.9000 3.9516 3.9516 3.9791 3.9791 4.0614 4.0614 4.0774 4.0774 4.3190 4.3190 4.4070 4.4070 4.4769 4.4769 4.5131 4.5131 4.5611 4.5611 4.6223 4.6223 6.3355 6.3355 6.3616 6.3616 6.4368 6.4368 7.9659 7.9659 8.0347 8.0347 8.5867 8.5867 8.6373 8.6373 8.6410 8.6410 10.6926 10.6926 10.6976 10.6976 k = 0.5000 0.5000 0.4167 ( 5916 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7237 -6.7237 -6.5895 -6.5895 -6.5843 -6.5843 -6.5527 -6.5527 0.8098 0.8098 0.8193 0.8193 0.8224 0.8224 1.5679 1.5679 2.1919 2.1919 2.2277 2.2277 2.2353 2.2353 2.2632 2.2632 2.3079 2.3079 2.7967 2.7967 2.8023 2.8023 2.8288 2.8288 3.7495 3.7495 3.9075 3.9075 3.9532 3.9532 3.9727 3.9727 4.0627 4.0627 4.0761 4.0761 4.3347 4.3347 4.4017 4.4017 4.4708 4.4708 4.5119 4.5119 4.5537 4.5537 4.6019 4.6019 6.3638 6.3638 6.3864 6.3864 6.4439 6.4439 7.9841 7.9841 8.0333 8.0333 8.6042 8.6042 8.6394 8.6394 8.6429 8.6429 10.6653 10.6653 10.6701 10.6701 k = 0.5000 0.5000 0.4333 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7130 -6.7130 -6.5892 -6.5892 -6.5840 -6.5840 -6.5624 -6.5624 0.8043 0.8043 0.8141 0.8141 0.8163 0.8163 1.5613 1.5613 2.1993 2.1993 2.2293 2.2293 2.2405 2.2405 2.2652 2.2652 2.3024 2.3024 2.7995 2.7995 2.8036 2.8036 2.8306 2.8306 3.7475 3.7475 3.9148 3.9148 3.9546 3.9546 3.9665 3.9665 4.0641 4.0641 4.0749 4.0749 4.3497 4.3497 4.3974 4.3974 4.4668 4.4668 4.5114 4.5114 4.5469 4.5469 4.5820 4.5820 6.3875 6.3875 6.4054 6.4054 6.4518 6.4518 7.9999 7.9999 8.0322 8.0322 8.6185 8.6185 8.6409 8.6409 8.6443 8.6443 10.6426 10.6426 10.6469 10.6469 k = 0.5000 0.5000 0.4500 ( 5896 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.7034 -6.7034 -6.5891 -6.5891 -6.5837 -6.5837 -6.5711 -6.5711 0.7999 0.7999 0.8100 0.8100 0.8116 0.8116 1.5561 1.5561 2.2063 2.2063 2.2297 2.2297 2.2453 2.2453 2.2655 2.2655 2.2982 2.2982 2.8018 2.8018 2.8045 2.8045 2.8320 2.8320 3.7457 3.7457 3.9218 3.9218 3.9554 3.9554 3.9606 3.9606 4.0655 4.0655 4.0736 4.0736 4.3632 4.3632 4.3939 4.3939 4.4654 4.4654 4.5112 4.5112 4.5408 4.5408 4.5632 4.5632 6.4064 6.4064 6.4183 6.4183 6.4601 6.4601 8.0128 8.0128 8.0313 8.0313 8.6295 8.6295 8.6419 8.6419 8.6454 8.6454 10.6247 10.6247 10.6280 10.6280 k = 0.5000 0.5000 0.4667 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.6956 -6.6956 -6.5893 -6.5893 -6.5835 -6.5835 -6.5780 -6.5780 0.7967 0.7967 0.8071 0.8071 0.8081 0.8081 1.5524 1.5524 2.2129 2.2129 2.2289 2.2289 2.2497 2.2497 2.2640 2.2640 2.2955 2.2955 2.8034 2.8034 2.8051 2.8051 2.8330 2.8330 3.7445 3.7445 3.9287 3.9287 3.9536 3.9536 3.9570 3.9570 4.0668 4.0668 4.0723 4.0723 4.3741 4.3741 4.3911 4.3911 4.4670 4.4670 4.5108 4.5108 4.5356 4.5356 4.5472 4.5472 6.4200 6.4200 6.4260 6.4260 6.4678 6.4678 8.0223 8.0223 8.0306 8.0306 8.6373 8.6373 8.6426 8.6426 8.6462 8.6462 10.6119 10.6119 10.6137 10.6137 k = 0.5000 0.5000 0.4833 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.6903 -6.6903 -6.5900 -6.5900 -6.5834 -6.5834 -6.5821 -6.5821 0.7948 0.7948 0.8054 0.8054 0.8059 0.8059 1.5502 1.5502 2.2186 2.2186 2.2268 2.2268 2.2538 2.2538 2.2613 2.2613 2.2941 2.2941 2.8045 2.8045 2.8053 2.8053 2.8336 2.8336 3.7437 3.7437 3.9352 3.9352 3.9478 3.9478 3.9571 3.9571 4.0682 4.0682 4.0710 4.0710 4.3816 4.3816 4.3888 4.3888 4.4708 4.4708 4.5089 4.5089 4.5321 4.5321 4.5363 4.5363 6.4283 6.4283 6.4299 6.4299 6.4732 6.4732 8.0281 8.0281 8.0302 8.0302 8.6416 8.6416 8.6430 8.6430 8.6469 8.6469 10.6041 10.6041 10.6048 10.6048 k = 0.5000 0.5000 0.5000 ( 5904 PWs) bands (ev): -58.1290 -58.1290 -32.5760 -32.5760 -31.7531 -31.7531 -31.7531 -31.7531 -6.6884 -6.6884 -6.5905 -6.5905 -6.5833 -6.5833 -6.5833 -6.5833 0.7941 0.7941 0.8050 0.8050 0.8050 0.8050 1.5494 1.5494 2.2233 2.2233 2.2233 2.2233 2.2577 2.2577 2.2577 2.2577 2.2937 2.2937 2.8051 2.8051 2.8051 2.8051 2.8338 2.8338 3.7434 3.7434 3.9416 3.9416 3.9416 3.9416 3.9572 3.9572 4.0696 4.0696 4.0696 4.0696 4.3861 4.3861 4.3861 4.3861 4.4732 4.4732 4.5072 4.5072 4.5318 4.5318 4.5318 4.5318 6.4311 6.4311 6.4311 6.4311 6.4751 6.4751 8.0301 8.0301 8.0301 8.0301 8.6430 8.6430 8.6430 8.6430 8.6474 8.6474 10.6017 10.6017 10.6017 10.6017 Writing output data file VCu3S4.save init_run : 4.78s CPU 11.82s WALL ( 1 calls) electrons : 1714.15s CPU 1729.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.48s CPU 1.43s WALL ( 1 calls) Called by electrons: c_bands : 1714.11s CPU 1729.61s WALL ( 1 calls) v_of_rho : 0.18s CPU 0.92s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.16s CPU 0.56s WALL ( 1 calls) newd : 1.62s CPU 1.77s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.22s WALL ( 231 calls) cegterg : 1651.32s CPU 1664.39s WALL ( 837 calls) Called by sum_band: Called by *egterg: h_psi : 528.47s CPU 539.76s WALL ( 16414 calls) s_psi : 104.27s CPU 104.84s WALL ( 16414 calls) g_psi : 1.32s CPU 1.34s WALL ( 15346 calls) cdiaghg : 780.16s CPU 777.54s WALL ( 15577 calls) cegterg:over : 133.00s CPU 128.50s WALL ( 15346 calls) cegterg:upda : 39.68s CPU 43.25s WALL ( 15346 calls) cegterg:last : 27.95s CPU 28.43s WALL ( 1761 calls) Called by h_psi: h_psi:vloc : 338.28s CPU 346.58s WALL ( 16414 calls) h_psi:vnl : 189.51s CPU 191.73s WALL ( 16414 calls) add_vuspsi : 77.82s CPU 83.06s WALL ( 16414 calls) General routines calbec : 111.58s CPU 108.53s WALL ( 16414 calls) fft : 0.57s CPU 1.31s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 294.81s CPU 299.12s WALL ( 1724232 calls) interpolate : 0.04s CPU 0.05s WALL ( 4 calls) davcio : 0.02s CPU 1.74s WALL ( 462 calls) Parallel routines fft_scatter : 197.82s CPU 195.94s WALL ( 1724255 calls) PWSCF : 29m47.27s CPU 31m48.63s WALL This run was terminated on: 0:35:38 2Nov2015 =------------------------------------------------------------------------------= JOB DONE. 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