Program PWSCF v.5.1.1 starts on 28Oct2015 at 19:27:48 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: ./TaCu3Se4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 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 50 35 10 1864 1073 168 Max 51 36 11 1869 1089 173 Sum 2417 1685 489 89583 51867 8121 bravais-lattice index = 14 lattice parameter (alat) = 10.7147 a.u. unit-cell volume = 1230.1149 (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 = 46.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.714746 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 Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf 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 1273 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 Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 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 atomic species valence mass pseudopotential Ta 13.00 180.94790 Ta( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 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= 218 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0045872 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0045872 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0045872 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045872 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0045872 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0045872 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0045872 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045872 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0045872 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0045872 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0045872 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045872 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0045872 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0045872 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0045872 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0045872 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0045872 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0045872 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0045872 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0045872 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0045872 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0045872 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0045872 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045872 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0045872 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0045872 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0045872 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0045872 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0045872 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0045872 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045872 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0045872 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0045872 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0045872 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045872 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0045872 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0045872 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0045872 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045872 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0045872 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0045872 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0045872 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045872 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045872 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0045872 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045872 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045872 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0045872 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0045872 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0045872 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045872 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0045872 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0045872 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0045872 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045872 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045872 k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045872 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045872 k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045872 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045872 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045872 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045872 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045872 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045872 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045872 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045872 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045872 k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045872 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045872 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045872 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045872 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045872 k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045872 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045872 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045872 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045872 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045872 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045872 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045872 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045872 k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045872 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045872 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045872 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045872 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045872 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045872 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045872 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045872 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045872 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045872 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045872 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045872 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045872 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 101) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0045872 k( 102) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0045872 k( 103) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0045872 k( 104) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0045872 k( 105) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0045872 k( 106) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0045872 k( 107) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0045872 k( 108) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0045872 k( 109) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0045872 k( 110) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0045872 k( 111) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0045872 k( 112) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045872 k( 113) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0045872 k( 114) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0045872 k( 115) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0045872 k( 116) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0045872 k( 117) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0045872 k( 118) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0045872 k( 119) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0045872 k( 120) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0045872 k( 121) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0045872 k( 122) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0045872 k( 123) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0045872 k( 124) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045872 k( 125) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0045872 k( 126) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0045872 k( 127) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0045872 k( 128) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0045872 k( 129) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0045872 k( 130) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0045872 k( 131) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0045872 k( 132) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045872 k( 133) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0045872 k( 134) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0045872 k( 135) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0045872 k( 136) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045872 k( 137) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0045872 k( 138) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0045872 k( 139) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0045872 k( 140) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0045872 k( 141) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0045872 k( 142) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0045872 k( 143) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0045872 k( 144) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0045872 k( 145) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0045872 k( 146) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0045872 k( 147) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0045872 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 150) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045872 k( 151) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045872 k( 152) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045872 k( 153) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045872 k( 154) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045872 k( 155) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045872 k( 156) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045872 k( 157) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045872 k( 158) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045872 k( 159) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045872 k( 160) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045872 k( 161) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045872 k( 162) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045872 k( 163) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045872 k( 164) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045872 k( 165) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045872 k( 166) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045872 k( 167) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045872 k( 168) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045872 k( 169) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045872 k( 170) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045872 k( 171) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045872 k( 172) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045872 k( 173) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045872 k( 174) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045872 k( 175) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045872 k( 176) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045872 k( 177) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045872 k( 178) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045872 k( 179) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045872 k( 180) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045872 k( 181) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045872 k( 182) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045872 k( 183) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045872 k( 184) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045872 k( 185) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045872 k( 186) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045872 k( 187) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045872 k( 188) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045872 k( 189) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045872 k( 190) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045872 k( 191) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045872 k( 192) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045872 k( 193) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045872 k( 194) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045872 k( 195) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045872 k( 196) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045872 k( 197) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045872 k( 198) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045872 k( 199) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045872 k( 200) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045872 k( 201) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045872 k( 202) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045872 k( 203) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045872 k( 204) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045872 k( 205) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045872 k( 206) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045872 k( 207) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045872 k( 208) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045872 k( 209) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045872 k( 210) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045872 k( 211) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045872 k( 212) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045872 k( 213) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045872 k( 214) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045872 k( 215) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045872 k( 216) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045872 k( 217) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045872 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0045872 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0045872 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0045872 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0045872 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0045872 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0045872 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0045872 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0045872 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0045872 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0045872 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0045872 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0045872 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0045872 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0045872 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0045872 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0045872 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0045872 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0045872 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0045872 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0045872 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0045872 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0045872 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0045872 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0045872 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0045872 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0045872 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0045872 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0045872 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0045872 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0045872 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0045872 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0045872 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0045872 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0045872 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0045872 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0045872 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0045872 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0045872 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0045872 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0045872 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0045872 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0045872 k( 46) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0045872 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0045872 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0045872 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045872 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0045872 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0045872 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0045872 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0045872 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0045872 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0045872 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0045872 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0045872 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872 k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045872 k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045872 k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045872 k( 63) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045872 k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045872 k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045872 k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045872 k( 67) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045872 k( 68) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0045872 k( 69) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0045872 k( 70) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0045872 k( 71) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0045872 k( 72) = ( 0.3375000 0.3375000 0.0000000), wk = 0.0045872 k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045872 k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045872 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045872 k( 76) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0045872 k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045872 k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045872 k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045872 k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045872 k( 81) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045872 k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045872 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045872 k( 84) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0045872 k( 85) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0045872 k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045872 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045872 k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045872 k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045872 k( 90) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045872 k( 91) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045872 k( 92) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0045872 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045872 k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045872 k( 95) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045872 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045872 k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045872 k( 98) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045872 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045872 k( 101) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0045872 k( 102) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0045872 k( 103) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0045872 k( 104) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0045872 k( 105) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0045872 k( 106) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0045872 k( 107) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0045872 k( 108) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0045872 k( 109) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0045872 k( 110) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0045872 k( 111) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0045872 k( 112) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045872 k( 113) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0045872 k( 114) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0045872 k( 115) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0045872 k( 116) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0045872 k( 117) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0045872 k( 118) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0045872 k( 119) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0045872 k( 120) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0045872 k( 121) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0045872 k( 122) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0045872 k( 123) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0045872 k( 124) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045872 k( 125) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0045872 k( 126) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0045872 k( 127) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0045872 k( 128) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0045872 k( 129) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0045872 k( 130) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0045872 k( 131) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0045872 k( 132) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045872 k( 133) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0045872 k( 134) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0045872 k( 135) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0045872 k( 136) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045872 k( 137) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0045872 k( 138) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0045872 k( 139) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0045872 k( 140) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0045872 k( 141) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0045872 k( 142) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0045872 k( 143) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0045872 k( 144) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0045872 k( 145) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0045872 k( 146) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0045872 k( 147) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0045872 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 k( 150) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045872 k( 151) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045872 k( 152) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045872 k( 153) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045872 k( 154) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045872 k( 155) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045872 k( 156) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045872 k( 157) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045872 k( 158) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045872 k( 159) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045872 k( 160) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045872 k( 161) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045872 k( 162) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045872 k( 163) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045872 k( 164) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045872 k( 165) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045872 k( 166) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045872 k( 167) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045872 k( 168) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045872 k( 169) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045872 k( 170) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045872 k( 171) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045872 k( 172) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045872 k( 173) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045872 k( 174) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045872 k( 175) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045872 k( 176) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045872 k( 177) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045872 k( 178) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045872 k( 179) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045872 k( 180) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045872 k( 181) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045872 k( 182) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045872 k( 183) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045872 k( 184) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045872 k( 185) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045872 k( 186) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045872 k( 187) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045872 k( 188) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045872 k( 189) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045872 k( 190) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045872 k( 191) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045872 k( 192) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045872 k( 193) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045872 k( 194) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045872 k( 195) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045872 k( 196) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045872 k( 197) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045872 k( 198) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045872 k( 199) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045872 k( 200) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045872 k( 201) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045872 k( 202) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045872 k( 203) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045872 k( 204) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045872 k( 205) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045872 k( 206) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045872 k( 207) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045872 k( 208) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045872 k( 209) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045872 k( 210) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045872 k( 211) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045872 k( 212) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045872 k( 213) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045872 k( 214) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045872 k( 215) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045872 k( 216) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045872 k( 217) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045872 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045872 Dense grid: 89583 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 51867 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 286, 84) NL pseudopotentials 0.36 Mb ( 143, 164) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1869) G-vector shells 0.00 Mb ( 482) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.47 Mb ( 286, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.42 Mb ( 164, 2, 84) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./TaCu3Se4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 50.2 secs Computing kpt #: 2 total cpu time spent up to now is 57.5 secs Computing kpt #: 3 total cpu time spent up to now is 65.0 secs Computing kpt #: 4 total cpu time spent up to now is 73.0 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.7 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.2 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.7 secs Computing kpt #: 8 total cpu time spent up to now is 110.2 secs Computing kpt #: 9 total cpu time spent up to now is 117.7 secs Computing kpt #: 10 total cpu time spent up to now is 124.0 secs Computing kpt #: 11 total cpu time spent up to now is 130.5 secs Computing kpt #: 12 total cpu time spent up to now is 136.6 secs Computing kpt #: 13 total cpu time spent up to now is 141.9 secs Computing kpt #: 14 total cpu time spent up to now is 147.4 secs Computing kpt #: 15 total cpu time spent up to now is 152.6 secs Computing kpt #: 16 total cpu time spent up to now is 157.1 secs Computing kpt #: 17 total cpu time spent up to now is 161.8 secs Computing kpt #: 18 total cpu time spent up to now is 166.3 secs Computing kpt #: 19 total cpu time spent up to now is 170.7 secs Computing kpt #: 20 total cpu time spent up to now is 175.2 secs Computing kpt #: 21 total cpu time spent up to now is 179.7 secs Computing kpt #: 22 total cpu time spent up to now is 184.3 secs Computing kpt #: 23 total cpu time spent up to now is 189.3 secs Computing kpt #: 24 total cpu time spent up to now is 193.9 secs Computing kpt #: 25 total cpu time spent up to now is 198.5 secs Computing kpt #: 26 total cpu time spent up to now is 203.0 secs Computing kpt #: 27 total cpu time spent up to now is 207.6 secs Computing kpt #: 28 total cpu time spent up to now is 212.1 secs Computing kpt #: 29 total cpu time spent up to now is 216.7 secs Computing kpt #: 30 total cpu time spent up to now is 221.4 secs Computing kpt #: 31 total cpu time spent up to now is 226.0 secs Computing kpt #: 32 total cpu time spent up to now is 230.8 secs Computing kpt #: 33 total cpu time spent up to now is 235.5 secs Computing kpt #: 34 total cpu time spent up to now is 240.3 secs Computing kpt #: 35 total cpu time spent up to now is 245.2 secs Computing kpt #: 36 total cpu time spent up to now is 250.1 secs Computing kpt #: 37 total cpu time spent up to now is 255.1 secs Computing kpt #: 38 total cpu time spent up to now is 259.9 secs Computing kpt #: 39 total cpu time spent up to now is 264.7 secs Computing kpt #: 40 total cpu time spent up to now is 269.5 secs Computing kpt #: 41 total cpu time spent up to now is 274.3 secs Computing kpt #: 42 total cpu time spent up to now is 279.1 secs Computing kpt #: 43 total cpu time spent up to now is 283.8 secs Computing kpt #: 44 total cpu time spent up to now is 288.5 secs Computing kpt #: 45 total cpu time spent up to now is 293.0 secs Computing kpt #: 46 total cpu time spent up to now is 297.4 secs Computing kpt #: 47 total cpu time spent up to now is 301.8 secs Computing kpt #: 48 total cpu time spent up to now is 306.0 secs Computing kpt #: 49 total cpu time spent up to now is 310.1 secs Computing kpt #: 50 total cpu time spent up to now is 314.2 secs Computing kpt #: 51 total cpu time spent up to now is 318.2 secs Computing kpt #: 52 total cpu time spent up to now is 322.2 secs Computing kpt #: 53 total cpu time spent up to now is 326.8 secs Computing kpt #: 54 total cpu time spent up to now is 332.3 secs Computing kpt #: 55 total cpu time spent up to now is 336.5 secs Computing kpt #: 56 total cpu time spent up to now is 340.7 secs Computing kpt #: 57 total cpu time spent up to now is 345.1 secs Computing kpt #: 58 total cpu time spent up to now is 349.2 secs Computing kpt #: 59 total cpu time spent up to now is 353.1 secs Computing kpt #: 60 total cpu time spent up to now is 357.2 secs Computing kpt #: 61 total cpu time spent up to now is 361.3 secs Computing kpt #: 62 total cpu time spent up to now is 365.4 secs Computing kpt #: 63 total cpu time spent up to now is 369.4 secs Computing kpt #: 64 total cpu time spent up to now is 373.4 secs Computing kpt #: 65 total cpu time spent up to now is 377.5 secs Computing kpt #: 66 total cpu time spent up to now is 381.7 secs Computing kpt #: 67 total cpu time spent up to now is 385.8 secs Computing kpt #: 68 total cpu time spent up to now is 390.0 secs Computing kpt #: 69 total cpu time spent up to now is 394.7 secs Computing kpt #: 70 total cpu time spent up to now is 399.4 secs Computing kpt #: 71 total cpu time spent up to now is 404.3 secs Computing kpt #: 72 total cpu time spent up to now is 409.2 secs Computing kpt #: 73 total cpu time spent up to now is 414.1 secs Computing kpt #: 74 total cpu time spent up to now is 419.1 secs Computing kpt #: 75 total cpu time spent up to now is 424.1 secs Computing kpt #: 76 total cpu time spent up to now is 429.0 secs Computing kpt #: 77 total cpu time spent up to now is 434.1 secs Computing kpt #: 78 total cpu time spent up to now is 439.0 secs Computing kpt #: 79 total cpu time spent up to now is 444.0 secs Computing kpt #: 80 total cpu time spent up to now is 448.8 secs Computing kpt #: 81 total cpu time spent up to now is 453.9 secs Computing kpt #: 82 total cpu time spent up to now is 460.8 secs Computing kpt #: 83 total cpu time spent up to now is 470.1 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 479.8 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 489.8 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 499.8 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 509.8 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 519.7 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 529.7 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 539.8 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 549.6 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 559.6 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 569.6 secs Computing kpt #: 94 total cpu time spent up to now is 579.1 secs Computing kpt #: 95 total cpu time spent up to now is 587.5 secs Computing kpt #: 96 total cpu time spent up to now is 595.3 secs Computing kpt #: 97 total cpu time spent up to now is 602.1 secs Computing kpt #: 98 total cpu time spent up to now is 609.9 secs Computing kpt #: 99 total cpu time spent up to now is 616.6 secs Computing kpt #: 100 total cpu time spent up to now is 624.0 secs Computing kpt #: 101 total cpu time spent up to now is 632.2 secs Computing kpt #: 102 total cpu time spent up to now is 639.8 secs Computing kpt #: 103 total cpu time spent up to now is 647.6 secs Computing kpt #: 104 total cpu time spent up to now is 655.8 secs Computing kpt #: 105 total cpu time spent up to now is 664.9 secs Computing kpt #: 106 total cpu time spent up to now is 674.1 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 683.8 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 693.5 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 703.3 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 713.0 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 722.4 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 732.0 secs Computing kpt #: 113 total cpu time spent up to now is 741.1 secs Computing kpt #: 114 total cpu time spent up to now is 749.9 secs Computing kpt #: 115 total cpu time spent up to now is 757.8 secs Computing kpt #: 116 total cpu time spent up to now is 765.6 secs Computing kpt #: 117 total cpu time spent up to now is 772.4 secs Computing kpt #: 118 total cpu time spent up to now is 779.2 secs Computing kpt #: 119 total cpu time spent up to now is 784.9 secs Computing kpt #: 120 total cpu time spent up to now is 791.6 secs Computing kpt #: 121 total cpu time spent up to now is 796.7 secs Computing kpt #: 122 total cpu time spent up to now is 801.5 secs Computing kpt #: 123 total cpu time spent up to now is 806.3 secs Computing kpt #: 124 total cpu time spent up to now is 811.1 secs Computing kpt #: 125 total cpu time spent up to now is 815.7 secs Computing kpt #: 126 total cpu time spent up to now is 820.2 secs Computing kpt #: 127 total cpu time spent up to now is 824.8 secs Computing kpt #: 128 total cpu time spent up to now is 829.3 secs Computing kpt #: 129 total cpu time spent up to now is 833.8 secs Computing kpt #: 130 total cpu time spent up to now is 838.4 secs Computing kpt #: 131 total cpu time spent up to now is 842.8 secs Computing kpt #: 132 total cpu time spent up to now is 847.4 secs Computing kpt #: 133 total cpu time spent up to now is 851.8 secs Computing kpt #: 134 total cpu time spent up to now is 856.2 secs Computing kpt #: 135 total cpu time spent up to now is 860.6 secs Computing kpt #: 136 total cpu time spent up to now is 864.9 secs Computing kpt #: 137 total cpu time spent up to now is 869.3 secs Computing kpt #: 138 total cpu time spent up to now is 873.6 secs Computing kpt #: 139 total cpu time spent up to now is 877.9 secs Computing kpt #: 140 total cpu time spent up to now is 882.2 secs Computing kpt #: 141 total cpu time spent up to now is 886.5 secs Computing kpt #: 142 total cpu time spent up to now is 890.8 secs Computing kpt #: 143 total cpu time spent up to now is 895.1 secs Computing kpt #: 144 total cpu time spent up to now is 899.4 secs Computing kpt #: 145 total cpu time spent up to now is 903.6 secs Computing kpt #: 146 total cpu time spent up to now is 908.0 secs Computing kpt #: 147 total cpu time spent up to now is 912.1 secs Computing kpt #: 148 total cpu time spent up to now is 916.3 secs Computing kpt #: 149 total cpu time spent up to now is 920.4 secs Computing kpt #: 150 total cpu time spent up to now is 924.6 secs Computing kpt #: 151 total cpu time spent up to now is 930.1 secs Computing kpt #: 152 total cpu time spent up to now is 935.4 secs Computing kpt #: 153 total cpu time spent up to now is 939.7 secs Computing kpt #: 154 total cpu time spent up to now is 944.2 secs Computing kpt #: 155 total cpu time spent up to now is 948.8 secs Computing kpt #: 156 total cpu time spent up to now is 953.1 secs Computing kpt #: 157 total cpu time spent up to now is 957.5 secs Computing kpt #: 158 total cpu time spent up to now is 961.7 secs Computing kpt #: 159 total cpu time spent up to now is 965.9 secs Computing kpt #: 160 total cpu time spent up to now is 970.1 secs Computing kpt #: 161 total cpu time spent up to now is 974.3 secs Computing kpt #: 162 total cpu time spent up to now is 978.5 secs Computing kpt #: 163 total cpu time spent up to now is 982.6 secs Computing kpt #: 164 total cpu time spent up to now is 986.6 secs Computing kpt #: 165 total cpu time spent up to now is 990.7 secs Computing kpt #: 166 total cpu time spent up to now is 994.7 secs Computing kpt #: 167 total cpu time spent up to now is 998.8 secs Computing kpt #: 168 total cpu time spent up to now is 1002.9 secs Computing kpt #: 169 total cpu time spent up to now is 1007.0 secs Computing kpt #: 170 total cpu time spent up to now is 1011.2 secs Computing kpt #: 171 total cpu time spent up to now is 1015.5 secs Computing kpt #: 172 total cpu time spent up to now is 1019.6 secs Computing kpt #: 173 total cpu time spent up to now is 1023.9 secs Computing kpt #: 174 total cpu time spent up to now is 1028.2 secs Computing kpt #: 175 total cpu time spent up to now is 1032.5 secs Computing kpt #: 176 total cpu time spent up to now is 1036.8 secs Computing kpt #: 177 total cpu time spent up to now is 1041.4 secs Computing kpt #: 178 total cpu time spent up to now is 1046.1 secs Computing kpt #: 179 total cpu time spent up to now is 1050.8 secs Computing kpt #: 180 total cpu time spent up to now is 1055.7 secs Computing kpt #: 181 total cpu time spent up to now is 1060.6 secs Computing kpt #: 182 total cpu time spent up to now is 1065.4 secs Computing kpt #: 183 total cpu time spent up to now is 1070.3 secs Computing kpt #: 184 total cpu time spent up to now is 1075.1 secs Computing kpt #: 185 total cpu time spent up to now is 1079.8 secs Computing kpt #: 186 total cpu time spent up to now is 1084.6 secs Computing kpt #: 187 total cpu time spent up to now is 1089.3 secs Computing kpt #: 188 total cpu time spent up to now is 1094.0 secs Computing kpt #: 189 total cpu time spent up to now is 1098.6 secs Computing kpt #: 190 total cpu time spent up to now is 1102.7 secs Computing kpt #: 191 total cpu time spent up to now is 1106.6 secs Computing kpt #: 192 total cpu time spent up to now is 1110.6 secs Computing kpt #: 193 total cpu time spent up to now is 1114.5 secs Computing kpt #: 194 total cpu time spent up to now is 1118.5 secs Computing kpt #: 195 total cpu time spent up to now is 1122.7 secs Computing kpt #: 196 total cpu time spent up to now is 1126.6 secs Computing kpt #: 197 total cpu time spent up to now is 1130.7 secs Computing kpt #: 198 total cpu time spent up to now is 1134.7 secs Computing kpt #: 199 total cpu time spent up to now is 1138.7 secs Computing kpt #: 200 total cpu time spent up to now is 1142.9 secs Computing kpt #: 201 total cpu time spent up to now is 1147.2 secs Computing kpt #: 202 total cpu time spent up to now is 1151.4 secs Computing kpt #: 203 total cpu time spent up to now is 1155.8 secs Computing kpt #: 204 total cpu time spent up to now is 1160.1 secs Computing kpt #: 205 total cpu time spent up to now is 1164.6 secs Computing kpt #: 206 total cpu time spent up to now is 1169.0 secs Computing kpt #: 207 total cpu time spent up to now is 1173.5 secs Computing kpt #: 208 total cpu time spent up to now is 1177.9 secs Computing kpt #: 209 total cpu time spent up to now is 1182.2 secs Computing kpt #: 210 total cpu time spent up to now is 1186.7 secs Computing kpt #: 211 total cpu time spent up to now is 1191.0 secs Computing kpt #: 212 total cpu time spent up to now is 1195.3 secs Computing kpt #: 213 total cpu time spent up to now is 1199.5 secs Computing kpt #: 214 total cpu time spent up to now is 1203.7 secs Computing kpt #: 215 total cpu time spent up to now is 1207.9 secs Computing kpt #: 216 total cpu time spent up to now is 1212.1 secs Computing kpt #: 217 total cpu time spent up to now is 1216.3 secs Computing kpt #: 218 total cpu time spent up to now is 1220.3 secs ethr = 1.43E-11, avg # of iterations = 44.2 total cpu time spent up to now is 1220.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.4568 -61.4568 -34.3794 -34.3794 -25.7312 -25.7312 -25.7312 -25.7312 -7.1690 -7.1690 -6.1619 -6.1619 -6.0736 -6.0736 -6.0736 -6.0736 0.9772 0.9772 0.9772 0.9772 1.3872 1.3872 2.6858 2.6858 2.7361 2.7361 2.7361 2.7361 3.2614 3.2614 3.3705 3.3705 3.3705 3.3705 3.7452 3.7452 3.7615 3.7615 3.7615 3.7615 3.8113 3.8113 3.8113 3.8113 4.3726 4.3726 4.5002 4.5002 4.5002 4.5002 4.6168 4.6168 4.6506 4.6506 4.6506 4.6506 4.9427 4.9427 5.0694 5.0694 5.1503 5.1503 5.1503 5.1503 6.2138 6.2138 6.2138 6.2138 6.2492 6.2492 8.3567 8.3567 8.4594 8.4594 8.4594 8.4594 8.4987 8.4987 8.6657 8.6657 8.6657 8.6657 11.8512 11.8512 k = 0.0000 0.0179-0.0000 ( 6491 PWs) bands (ev): -61.4568 -61.4568 -34.3794 -34.3794 -25.7313 -25.7313 -25.7313 -25.7313 -7.1683 -7.1683 -6.1622 -6.1622 -6.0742 -6.0742 -6.0736 -6.0736 0.9774 0.9774 0.9791 0.9791 1.3882 1.3882 2.6853 2.6853 2.7351 2.7351 2.7364 2.7364 3.2606 3.2606 3.3683 3.3683 3.3709 3.3709 3.7377 3.7377 3.7555 3.7555 3.7695 3.7695 3.8078 3.8078 3.8200 3.8200 4.3719 4.3719 4.4942 4.4942 4.5051 4.5051 4.6164 4.6164 4.6481 4.6481 4.6532 4.6532 4.9429 4.9429 5.0692 5.0692 5.1466 5.1466 5.1531 5.1531 6.2112 6.2112 6.2133 6.2133 6.2477 6.2477 8.3539 8.3539 8.4424 8.4424 8.4611 8.4611 8.5223 8.5223 8.6619 8.6619 8.6753 8.6753 11.8527 11.8527 k = 0.0000 0.0357-0.0000 ( 6503 PWs) bands (ev): -61.4569 -61.4569 -34.3794 -34.3794 -25.7313 -25.7313 -25.7313 -25.7313 -7.1664 -7.1664 -6.1631 -6.1631 -6.0759 -6.0759 -6.0736 -6.0736 0.9794 0.9794 0.9835 0.9835 1.3913 1.3913 2.6840 2.6840 2.7326 2.7326 2.7374 2.7374 3.2584 3.2584 3.3639 3.3639 3.3702 3.3702 3.7201 3.7201 3.7539 3.7539 3.7744 3.7744 3.8079 3.8079 3.8339 3.8339 4.3701 4.3701 4.4877 4.4877 4.5088 4.5088 4.6155 4.6155 4.6459 4.6459 4.6560 4.6560 4.9436 4.9436 5.0687 5.0687 5.1421 5.1421 5.1553 5.1553 6.2031 6.2031 6.2117 6.2117 6.2438 6.2438 8.3438 8.3438 8.4262 8.4262 8.4639 8.4639 8.5606 8.5606 8.6627 8.6627 8.6934 8.6934 11.8571 11.8571 k = 0.0000 0.0536-0.0000 ( 6511 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7313 -25.7313 -7.1631 -7.1631 -6.1645 -6.1645 -6.0786 -6.0786 -6.0736 -6.0736 0.9830 0.9830 0.9906 0.9906 1.3964 1.3964 2.6811 2.6811 2.7291 2.7291 2.7390 2.7390 3.2546 3.2546 3.3574 3.3574 3.3688 3.3688 3.6985 3.6985 3.7531 3.7531 3.7771 3.7771 3.8100 3.8100 3.8509 3.8509 4.3672 4.3672 4.4809 4.4809 4.5110 4.5110 4.6143 4.6143 4.6441 4.6441 4.6589 4.6589 4.9447 4.9447 5.0680 5.0680 5.1370 5.1370 5.1569 5.1569 6.1889 6.1889 6.2091 6.2091 6.2384 6.2384 8.3256 8.3256 8.4227 8.4227 8.4686 8.4686 8.5974 8.5974 8.6676 8.6676 8.7240 8.7240 11.8642 11.8642 k = 0.0000 0.0714-0.0000 ( 6519 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7313 -25.7313 -7.1585 -7.1585 -6.1667 -6.1667 -6.0821 -6.0821 -6.0736 -6.0736 0.9881 0.9881 1.0004 1.0004 1.4036 1.4036 2.6757 2.6757 2.7257 2.7257 2.7412 2.7412 3.2488 3.2488 3.3490 3.3490 3.3667 3.3667 3.6747 3.6747 3.7524 3.7524 3.7789 3.7789 3.8132 3.8132 3.8694 3.8694 4.3630 4.3630 4.4741 4.4741 4.5113 4.5113 4.6130 4.6130 4.6426 4.6426 4.6618 4.6618 4.9462 4.9462 5.0669 5.0669 5.1311 5.1311 5.1580 5.1580 6.1685 6.1685 6.2055 6.2055 6.2322 6.2322 8.3036 8.3036 8.4292 8.4292 8.4749 8.4749 8.6274 8.6274 8.6770 8.6770 8.7702 8.7702 11.8736 11.8736 k = 0.0000 0.0893-0.0000 ( 6515 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7313 -25.7313 -7.1526 -7.1526 -6.1698 -6.1698 -6.0864 -6.0864 -6.0736 -6.0736 0.9946 0.9946 1.0129 1.0129 1.4129 1.4129 2.6667 2.6667 2.7234 2.7234 2.7441 2.7441 3.2406 3.2406 3.3395 3.3395 3.3640 3.3640 3.6489 3.6489 3.7516 3.7516 3.7804 3.7804 3.8173 3.8173 3.8886 3.8886 4.3578 4.3578 4.4674 4.4674 4.5096 4.5096 4.6118 4.6118 4.6414 4.6414 4.6648 4.6648 4.9480 4.9480 5.0654 5.0654 5.1247 5.1247 5.1588 5.1588 6.1424 6.1424 6.2010 6.2010 6.2254 6.2254 8.2814 8.2814 8.4420 8.4420 8.4826 8.4826 8.6503 8.6503 8.6913 8.6913 8.8307 8.8307 11.8823 11.8823 k = 0.0000 0.1071-0.0000 ( 6507 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7313 -25.7313 -7.1455 -7.1455 -6.1739 -6.1739 -6.0911 -6.0911 -6.0736 -6.0736 1.0025 1.0025 1.0280 1.0280 1.4243 1.4243 2.6538 2.6538 2.7227 2.7227 2.7475 2.7475 3.2295 3.2295 3.3296 3.3296 3.3607 3.3607 3.6212 3.6212 3.7508 3.7508 3.7820 3.7820 3.8220 3.8220 3.9083 3.9083 4.3515 4.3515 4.4610 4.4610 4.5058 4.5058 4.6108 4.6108 4.6404 4.6404 4.6677 4.6677 4.9501 4.9501 5.0635 5.0635 5.1180 5.1180 5.1593 5.1593 6.1115 6.1115 6.1957 6.1957 6.2179 6.2179 8.2605 8.2605 8.4590 8.4590 8.4914 8.4914 8.6687 8.6687 8.7106 8.7106 8.9018 8.9018 11.8727 11.8727 k = 0.0000 0.1250-0.0000 ( 6503 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7315 -25.7315 -25.7313 -25.7313 -7.1371 -7.1371 -6.1795 -6.1795 -6.0960 -6.0960 -6.0736 -6.0736 1.0118 1.0118 1.0458 1.0458 1.4376 1.4376 2.6370 2.6370 2.7236 2.7236 2.7515 2.7515 3.2149 3.2149 3.3201 3.3201 3.3568 3.3568 3.5916 3.5916 3.7499 3.7499 3.7837 3.7837 3.8271 3.8271 3.9284 3.9284 4.3442 4.3442 4.4549 4.4549 4.5002 4.5002 4.6100 4.6100 4.6394 4.6394 4.6706 4.6706 4.9525 4.9525 5.0610 5.0610 5.1110 5.1110 5.1598 5.1598 6.0767 6.0767 6.1897 6.1897 6.2097 6.2097 8.2413 8.2413 8.4793 8.4793 8.5010 8.5010 8.6856 8.6856 8.7339 8.7339 8.9808 8.9808 11.8555 11.8555 k = 0.0000 0.1429-0.0000 ( 6499 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7315 -25.7315 -25.7313 -25.7313 -7.1275 -7.1275 -6.1865 -6.1865 -6.1008 -6.1008 -6.0736 -6.0736 1.0223 1.0223 1.0661 1.0661 1.4531 1.4531 2.6169 2.6169 2.7257 2.7257 2.7560 2.7560 3.1968 3.1968 3.3113 3.3113 3.3522 3.3522 3.5602 3.5602 3.7490 3.7490 3.7856 3.7856 3.8323 3.8323 3.9487 3.9487 4.3362 4.3362 4.4491 4.4491 4.4930 4.4930 4.6091 4.6091 4.6384 4.6384 4.6732 4.6732 4.9551 4.9551 5.0582 5.0582 5.1040 5.1040 5.1603 5.1603 6.0388 6.0388 6.1831 6.1831 6.2007 6.2007 8.2239 8.2239 8.5024 8.5024 8.5112 8.5112 8.7028 8.7028 8.7601 8.7601 9.0660 9.0660 11.8365 11.8365 k = 0.0000 0.1607-0.0000 ( 6491 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7316 -25.7316 -25.7313 -25.7313 -7.1168 -7.1168 -6.1954 -6.1954 -6.1051 -6.1051 -6.0736 -6.0736 1.0340 1.0340 1.0889 1.0889 1.4705 1.4705 2.5938 2.5938 2.7288 2.7288 2.7610 2.7610 3.1752 3.1752 3.3036 3.3036 3.3469 3.3469 3.5268 3.5268 3.7479 3.7479 3.7878 3.7878 3.8377 3.8377 3.9693 3.9693 4.3276 4.3276 4.4436 4.4436 4.4846 4.4846 4.6082 4.6082 4.6371 4.6371 4.6756 4.6756 4.9580 4.9580 5.0549 5.0549 5.0973 5.0973 5.1609 5.1609 5.9987 5.9987 6.1760 6.1760 6.1912 6.1912 8.2081 8.2081 8.5216 8.5216 8.5276 8.5276 8.7210 8.7210 8.7885 8.7885 9.1562 9.1562 11.8165 11.8165 k = 0.0000 0.1786-0.0000 ( 6495 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7316 -25.7316 -25.7313 -25.7313 -7.1049 -7.1049 -6.2061 -6.2061 -6.1089 -6.1089 -6.0736 -6.0736 1.0468 1.0468 1.1140 1.1140 1.4900 1.4900 2.5680 2.5680 2.7324 2.7324 2.7664 2.7664 3.1505 3.1505 3.2969 3.2969 3.3409 3.3409 3.4917 3.4917 3.7468 3.7468 3.7901 3.7901 3.8431 3.8431 3.9901 3.9901 4.3187 4.3187 4.4383 4.4383 4.4753 4.4753 4.6070 4.6070 4.6353 4.6353 4.6775 4.6775 4.9611 4.9611 5.0515 5.0515 5.0908 5.0908 5.1617 5.1617 5.9571 5.9571 6.1685 6.1685 6.1810 6.1810 8.1937 8.1937 8.5321 8.5321 8.5545 8.5545 8.7404 8.7404 8.8186 8.8186 9.2506 9.2506 11.7962 11.7962 k = 0.0000 0.1964-0.0000 ( 6507 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7317 -25.7317 -25.7313 -25.7313 -7.0920 -7.0920 -6.2186 -6.2186 -6.1121 -6.1121 -6.0736 -6.0736 1.0606 1.0606 1.1413 1.1413 1.5114 1.5114 2.5397 2.5397 2.7366 2.7366 2.7721 2.7721 3.1234 3.1234 3.2909 3.2909 3.3336 3.3336 3.4552 3.4552 3.7457 3.7457 3.7927 3.7927 3.8484 3.8484 4.0111 4.0111 4.3096 4.3096 4.4330 4.4330 4.4655 4.4655 4.6054 4.6054 4.6328 4.6328 4.6789 4.6789 4.9645 4.9645 5.0482 5.0482 5.0848 5.0848 5.1626 5.1626 5.9146 5.9146 6.1607 6.1607 6.1704 6.1704 8.1807 8.1807 8.5426 8.5426 8.5826 8.5826 8.7610 8.7610 8.8499 8.8499 9.3484 9.3484 11.7760 11.7760 k = 0.0000 0.2143-0.0000 ( 6511 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7318 -25.7318 -25.7313 -25.7313 -7.0780 -7.0780 -6.2328 -6.2328 -6.1148 -6.1148 -6.0736 -6.0736 1.0753 1.0753 1.1707 1.1707 1.5348 1.5348 2.5094 2.5094 2.7412 2.7412 2.7782 2.7782 3.0943 3.0943 3.2855 3.2855 3.3242 3.3242 3.4185 3.4185 3.7445 3.7445 3.7955 3.7955 3.8536 3.8536 4.0323 4.0323 4.3006 4.3006 4.4276 4.4276 4.4555 4.4555 4.6035 4.6035 4.6296 4.6296 4.6795 4.6795 4.9683 4.9683 5.0451 5.0451 5.0794 5.0794 5.1637 5.1637 5.8718 5.8718 6.1529 6.1529 6.1594 6.1594 8.1688 8.1688 8.5530 8.5530 8.6115 8.6115 8.7825 8.7825 8.8819 8.8819 9.4488 9.4488 11.7562 11.7562 k = 0.0000 0.2321-0.0000 ( 6499 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7319 -25.7319 -25.7313 -25.7313 -7.0631 -7.0631 -6.2485 -6.2485 -6.1169 -6.1169 -6.0736 -6.0736 1.0908 1.0908 1.2022 1.2022 1.5600 1.5600 2.4771 2.4771 2.7461 2.7461 2.7844 2.7844 3.0637 3.0637 3.2805 3.2805 3.3103 3.3103 3.3840 3.3840 3.7432 3.7432 3.7985 3.7985 3.8586 3.8586 4.0537 4.0537 4.2919 4.2919 4.4221 4.4221 4.4457 4.4457 4.6014 4.6014 4.6255 4.6255 4.6793 4.6793 4.9725 4.9725 5.0427 5.0427 5.0747 5.0747 5.1650 5.1650 5.8291 5.8291 6.1450 6.1450 6.1484 6.1484 8.1579 8.1579 8.5632 8.5632 8.6408 8.6408 8.8046 8.8046 8.9144 8.9144 9.5512 9.5512 11.7372 11.7372 k = 0.0000 0.2500-0.0000 ( 6495 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7319 -25.7319 -25.7313 -25.7313 -7.0474 -7.0474 -6.2656 -6.2656 -6.1185 -6.1185 -6.0736 -6.0736 1.1069 1.1069 1.2355 1.2355 1.5871 1.5871 2.4430 2.4430 2.7512 2.7512 2.7908 2.7908 3.0322 3.0322 3.2750 3.2750 3.2879 3.2879 3.3568 3.3568 3.7420 3.7420 3.8016 3.8016 3.8634 3.8634 4.0753 4.0753 4.2836 4.2836 4.4163 4.4163 4.4362 4.4362 4.5988 4.5988 4.6207 4.6207 4.6779 4.6779 4.9770 4.9770 5.0410 5.0410 5.0708 5.0708 5.1664 5.1664 5.7870 5.7870 6.1371 6.1371 6.1372 6.1372 8.1480 8.1480 8.5731 8.5731 8.6702 8.6702 8.8270 8.8270 8.9467 8.9467 9.6550 9.6550 11.7192 11.7192 k = 0.0000 0.2679-0.0000 ( 6491 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7320 -25.7320 -25.7313 -25.7313 -7.0309 -7.0309 -6.2837 -6.2837 -6.1199 -6.1199 -6.0736 -6.0736 1.1235 1.1235 1.2704 1.2704 1.6158 1.6158 2.4074 2.4074 2.7564 2.7564 2.7973 2.7973 3.0001 3.0001 3.2501 3.2501 3.2738 3.2738 3.3393 3.3393 3.7407 3.7407 3.8049 3.8049 3.8679 3.8679 4.0969 4.0969 4.2757 4.2757 4.4100 4.4100 4.4275 4.4275 4.5958 4.5958 4.6152 4.6152 4.6754 4.6754 4.9816 4.9816 5.0401 5.0401 5.0679 5.0679 5.1679 5.1679 5.7458 5.7458 6.1262 6.1262 6.1294 6.1294 8.1390 8.1390 8.5827 8.5827 8.6991 8.6991 8.8493 8.8493 8.9786 8.9786 9.7593 9.7593 11.7024 11.7024 k = 0.0000 0.2857-0.0000 ( 6499 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7321 -25.7321 -25.7313 -25.7313 -7.0137 -7.0137 -6.3028 -6.3028 -6.1209 -6.1209 -6.0737 -6.0737 1.1404 1.1404 1.3069 1.3069 1.6461 1.6461 2.3705 2.3705 2.7617 2.7617 2.8038 2.8038 2.9679 2.9679 3.2079 3.2079 3.2696 3.2696 3.3278 3.3278 3.7394 3.7394 3.8083 3.8083 3.8721 3.8721 4.1184 4.1184 4.2684 4.2684 4.4032 4.4032 4.4195 4.4195 4.5919 4.5919 4.6096 4.6096 4.6716 4.6716 4.9863 4.9863 5.0399 5.0399 5.0663 5.0663 5.1695 5.1695 5.7058 5.7058 6.1153 6.1153 6.1219 6.1219 8.1307 8.1307 8.5920 8.5920 8.7273 8.7273 8.8712 8.8712 9.0096 9.0096 9.8635 9.8635 11.6870 11.6870 k = 0.0000 0.3036-0.0000 ( 6491 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7321 -25.7321 -25.7313 -25.7313 -6.9960 -6.9960 -6.3225 -6.3225 -6.1217 -6.1217 -6.0737 -6.0737 1.1573 1.1573 1.3448 1.3448 1.6777 1.6777 2.3325 2.3325 2.7668 2.7668 2.8102 2.8102 2.9361 2.9361 3.1615 3.1615 3.2662 3.2662 3.3191 3.3191 3.7381 3.7381 3.8118 3.8118 3.8761 3.8761 4.1399 4.1399 4.2617 4.2617 4.3960 4.3960 4.4125 4.4125 4.5870 4.5870 4.6044 4.6044 4.6666 4.6666 4.9908 4.9908 5.0400 5.0400 5.0668 5.0668 5.1713 5.1713 5.6672 5.6672 6.1047 6.1047 6.1147 6.1147 8.1232 8.1232 8.6010 8.6010 8.7544 8.7544 8.8924 8.8924 9.0394 9.0394 9.9667 9.9667 11.6729 11.6729 k = 0.0000 0.3214-0.0000 ( 6507 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7322 -25.7322 -25.7313 -25.7313 -6.9779 -6.9779 -6.3427 -6.3427 -6.1224 -6.1224 -6.0737 -6.0737 1.1741 1.1741 1.3838 1.3838 1.7103 1.7103 2.2937 2.2937 2.7718 2.7718 2.8164 2.8164 2.9051 2.9051 3.1130 3.1130 3.2633 3.2633 3.3117 3.3117 3.7369 3.7369 3.8152 3.8152 3.8796 3.8796 4.1612 4.1612 4.2556 4.2556 4.3886 4.3886 4.4063 4.4063 4.5807 4.5807 4.6001 4.6001 4.6603 4.6603 4.9951 4.9951 5.0397 5.0397 5.0697 5.0697 5.1731 5.1731 5.6301 5.6301 6.0946 6.0946 6.1079 6.1079 8.1164 8.1164 8.6095 8.6095 8.7801 8.7801 8.9125 8.9125 9.0677 9.0677 10.0682 10.0682 11.6599 11.6599 k = 0.0000 0.3393-0.0000 ( 6507 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7323 -25.7323 -25.7313 -25.7313 -6.9596 -6.9596 -6.3630 -6.3630 -6.1229 -6.1229 -6.0737 -6.0737 1.1905 1.1905 1.4239 1.4239 1.7434 1.7434 2.2544 2.2544 2.7767 2.7767 2.8223 2.8223 2.8754 2.8754 3.0636 3.0636 3.2608 3.2608 3.3049 3.3049 3.7357 3.7357 3.8186 3.8186 3.8829 3.8829 4.1821 4.1821 4.2502 4.2502 4.3812 4.3812 4.4007 4.4007 4.5734 4.5734 4.5967 4.5967 4.6528 4.6528 4.9991 4.9991 5.0389 5.0389 5.0749 5.0749 5.1752 5.1752 5.5949 5.5949 6.0851 6.0851 6.1016 6.1016 8.1102 8.1102 8.6175 8.6175 8.8042 8.8042 8.9313 8.9313 9.0941 9.0941 10.1669 10.1669 11.6479 11.6479 k = 0.0000 0.3571-0.0000 ( 6495 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7323 -25.7323 -25.7313 -25.7313 -6.9414 -6.9414 -6.3833 -6.3833 -6.1233 -6.1233 -6.0737 -6.0737 1.2063 1.2063 1.4647 1.4647 1.7765 1.7765 2.2150 2.2150 2.7812 2.7812 2.8277 2.8277 2.8476 2.8476 3.0143 3.0143 3.2587 3.2587 3.2987 3.2987 3.7345 3.7345 3.8219 3.8219 3.8859 3.8859 4.2025 4.2025 4.2455 4.2455 4.3741 4.3741 4.3957 4.3957 4.5655 4.5655 4.5940 4.5940 4.6445 4.6445 5.0028 5.0028 5.0377 5.0377 5.0822 5.0822 5.1775 5.1775 5.5616 5.5616 6.0763 6.0763 6.0958 6.0958 8.1048 8.1048 8.6250 8.6250 8.8264 8.8264 8.9485 8.9485 9.1184 9.1184 10.2619 10.2619 11.6366 11.6366 k = 0.0000 0.3750-0.0000 ( 6503 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7324 -25.7324 -25.7313 -25.7313 -6.9235 -6.9235 -6.4031 -6.4031 -6.1236 -6.1236 -6.0737 -6.0737 1.2211 1.2211 1.5063 1.5063 1.8085 1.8085 2.1761 2.1761 2.7852 2.7852 2.8205 2.8205 2.8342 2.8342 2.9659 2.9659 3.2571 3.2571 3.2929 3.2929 3.7334 3.7334 3.8250 3.8250 3.8884 3.8884 4.2216 4.2216 4.2419 4.2419 4.3673 4.3673 4.3913 4.3913 4.5574 4.5574 4.5918 4.5918 4.6356 4.6356 5.0062 5.0062 5.0363 5.0363 5.0907 5.0907 5.1801 5.1801 5.5305 5.5305 6.0683 6.0683 6.0905 6.0905 8.1000 8.1000 8.6318 8.6318 8.8464 8.8464 8.9641 8.9641 9.1403 9.1403 10.3519 10.3519 11.6256 11.6256 k = 0.0000 0.3929-0.0000 ( 6499 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7324 -25.7324 -25.7313 -25.7313 -6.9063 -6.9063 -6.4220 -6.4220 -6.1239 -6.1239 -6.0737 -6.0737 1.2347 1.2347 1.5482 1.5482 1.8380 1.8380 2.1386 2.1386 2.7871 2.7871 2.7991 2.7991 2.8384 2.8384 2.9194 2.9194 3.2560 3.2560 3.2875 3.2875 3.7325 3.7325 3.8280 3.8280 3.8906 3.8906 4.2343 4.2343 4.2446 4.2446 4.3609 4.3609 4.3877 4.3877 4.5495 4.5495 4.5899 4.5899 4.6263 4.6263 5.0094 5.0094 5.0348 5.0348 5.0998 5.0998 5.1831 5.1831 5.5017 5.5017 6.0611 6.0611 6.0859 6.0859 8.0958 8.0958 8.6380 8.6380 8.8642 8.8642 8.9778 8.9778 9.1596 9.1596 10.4357 10.4357 11.6145 11.6145 k = 0.0000 0.4107-0.0000 ( 6495 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7325 -25.7325 -25.7313 -25.7313 -6.8901 -6.8901 -6.4397 -6.4397 -6.1240 -6.1240 -6.0737 -6.0737 1.2469 1.2469 1.5904 1.5904 1.8626 1.8626 2.1044 2.1044 2.7745 2.7745 2.7944 2.7944 2.8423 2.8423 2.8761 2.8761 3.2554 3.2554 3.2826 3.2826 3.7316 3.7316 3.8306 3.8306 3.8924 3.8924 4.2334 4.2334 4.2602 4.2602 4.3549 4.3549 4.3848 4.3848 4.5421 4.5421 4.5884 4.5884 4.6171 4.6171 5.0124 5.0124 5.0332 5.0332 5.1087 5.1087 5.1867 5.1867 5.4756 5.4756 6.0549 6.0549 6.0819 6.0819 8.0923 8.0923 8.6433 8.6433 8.8796 8.8796 8.9895 8.9895 9.1763 9.1763 10.5116 10.5116 11.6033 11.6033 k = 0.0000 0.4286-0.0000 ( 6491 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7325 -25.7325 -25.7313 -25.7313 -6.8755 -6.8755 -6.4556 -6.4556 -6.1242 -6.1242 -6.0737 -6.0737 1.2573 1.2573 1.6325 1.6325 1.8785 1.8785 2.0762 2.0762 2.7577 2.7577 2.7964 2.7964 2.8363 2.8363 2.8468 2.8468 3.2552 3.2552 3.2781 3.2781 3.7309 3.7309 3.8328 3.8328 3.8940 3.8940 4.2313 4.2313 4.2758 4.2758 4.3491 4.3491 4.3828 4.3828 4.5354 4.5354 4.5872 4.5872 4.6085 4.6085 5.0152 5.0152 5.0316 5.0316 5.1168 5.1168 5.1908 5.1908 5.4526 5.4526 6.0497 6.0497 6.0786 6.0786 8.0894 8.0894 8.6478 8.6478 8.8923 8.8923 8.9992 8.9992 9.1901 9.1901 10.5779 10.5779 11.5920 11.5920 k = 0.0000 0.4464-0.0000 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7325 -25.7325 -25.7313 -25.7313 -6.8632 -6.8632 -6.4689 -6.4689 -6.1243 -6.1243 -6.0737 -6.0737 1.2656 1.2656 1.6739 1.6739 1.8812 1.8812 2.0578 2.0578 2.7439 2.7439 2.7965 2.7965 2.8057 2.8057 2.8490 2.8490 3.2555 3.2555 3.2742 3.2742 3.7303 3.7303 3.8347 3.8347 3.8952 3.8952 4.2296 4.2296 4.2898 4.2898 4.3436 4.3436 4.3816 4.3816 4.5297 4.5297 4.5864 4.5864 4.6010 4.6010 5.0179 5.0179 5.0300 5.0300 5.1234 5.1234 5.1952 5.1952 5.4333 5.4333 6.0456 6.0456 6.0760 6.0760 8.0871 8.0871 8.6514 8.6514 8.9023 8.9023 9.0067 9.0067 9.2010 9.2010 10.6327 10.6327 11.5814 11.5814 k = 0.0000 0.4643-0.0000 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7325 -25.7325 -25.7313 -25.7313 -6.8537 -6.8537 -6.4791 -6.4791 -6.1243 -6.1243 -6.0737 -6.0737 1.2718 1.2718 1.7138 1.7138 1.8688 1.8688 2.0503 2.0503 2.7340 2.7340 2.7770 2.7770 2.8013 2.8013 2.8510 2.8510 3.2560 3.2560 3.2710 3.2710 3.7299 3.7299 3.8360 3.8360 3.8961 3.8961 4.2283 4.2283 4.3016 4.3016 4.3382 4.3382 4.3812 4.3812 4.5252 4.5252 4.5858 4.5858 4.5952 4.5952 5.0203 5.0203 5.0283 5.0283 5.1283 5.1283 5.1994 5.1994 5.4184 5.4184 6.0426 6.0426 6.0741 6.0741 8.0855 8.0855 8.6539 8.6539 8.9095 8.9095 9.0121 9.0121 9.2088 9.2088 10.6740 10.6740 11.5724 11.5724 k = 0.0000 0.4821-0.0000 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7325 -25.7325 -25.7313 -25.7313 -6.8477 -6.8477 -6.4856 -6.4856 -6.1244 -6.1244 -6.0737 -6.0737 1.2755 1.2755 1.7494 1.7494 1.8471 1.8471 2.0493 2.0493 2.7281 2.7281 2.7610 2.7610 2.8019 2.8019 2.8522 2.8522 3.2567 3.2567 3.2687 3.2687 3.7296 3.7296 3.8369 3.8369 3.8965 3.8965 4.2276 4.2276 4.3105 4.3105 4.3331 4.3331 4.3810 4.3810 4.5223 4.5223 4.5855 4.5855 4.5915 4.5915 5.0225 5.0225 5.0265 5.0265 5.1312 5.1312 5.2025 5.2025 5.4089 5.4089 6.0408 6.0408 6.0730 6.0730 8.0845 8.0845 8.6555 8.6555 8.9139 8.9139 9.0154 9.0154 9.2135 9.2135 10.6997 10.6997 11.5662 11.5662 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7313 -25.7313 -6.8457 -6.8457 -6.4878 -6.4878 -6.1244 -6.1244 -6.0737 -6.0737 1.2768 1.2768 1.7678 1.7678 1.8326 1.8326 2.0497 2.0497 2.7262 2.7262 2.7554 2.7554 2.8022 2.8022 2.8526 2.8526 3.2570 3.2570 3.2679 3.2679 3.7296 3.7296 3.8371 3.8371 3.8967 3.8967 4.2273 4.2273 4.3145 4.3145 4.3304 4.3304 4.3810 4.3810 4.5213 4.5213 4.5854 4.5854 4.5901 4.5901 5.0246 5.0246 5.0246 5.0246 5.1322 5.1322 5.2036 5.2036 5.4057 5.4057 6.0402 6.0402 6.0726 6.0726 8.0842 8.0842 8.6560 8.6560 8.9154 8.9154 9.0165 9.0165 9.2150 9.2150 10.7084 10.7084 11.5641 11.5641 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7313 -25.7313 -6.8457 -6.8457 -6.4878 -6.4878 -6.1244 -6.1244 -6.0737 -6.0737 1.2768 1.2768 1.7678 1.7678 1.8326 1.8326 2.0497 2.0497 2.7262 2.7262 2.7554 2.7554 2.8022 2.8022 2.8526 2.8526 3.2570 3.2570 3.2679 3.2679 3.7296 3.7296 3.8371 3.8371 3.8967 3.8967 4.2273 4.2273 4.3145 4.3145 4.3304 4.3304 4.3810 4.3810 4.5213 4.5213 4.5854 4.5854 4.5901 4.5901 5.0246 5.0246 5.0246 5.0246 5.1322 5.1322 5.2036 5.2036 5.4057 5.4057 6.0402 6.0402 6.0726 6.0726 8.0842 8.0842 8.6560 8.6560 8.9154 8.9154 9.0165 9.0165 9.2150 9.2150 10.7084 10.7084 11.5641 11.5641 k = 0.0179 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7313 -25.7313 -6.8452 -6.8451 -6.4886 -6.4864 -6.1261 -6.1235 -6.0741 -6.0740 1.2762 1.2790 1.7678 1.7679 1.8317 1.8331 2.0477 2.0519 2.7235 2.7286 2.7522 2.7587 2.8016 2.8026 2.8522 2.8528 3.2561 3.2567 3.2675 3.2678 3.7235 3.7326 3.8323 3.8369 3.8970 3.8998 4.2260 4.2277 4.3096 4.3175 4.3236 4.3363 4.3772 4.3899 4.5184 4.5228 4.5780 4.5869 4.5953 4.5969 5.0072 5.0240 5.0242 5.0352 5.1289 5.1387 5.2014 5.2095 5.4021 5.4111 6.0384 6.0398 6.0710 6.0722 8.0806 8.0915 8.6527 8.6628 8.9035 8.9263 9.0099 9.0197 9.2039 9.2291 10.7071 10.7130 11.5662 11.5672 k = 0.0357 0.5000-0.0000 ( 6486 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7314 -25.7314 -6.8436 -6.8436 -6.4889 -6.4846 -6.1286 -6.1233 -6.0753 -6.0752 1.2772 1.2827 1.7678 1.7679 1.8305 1.8331 2.0460 2.0546 2.7201 2.7308 2.7496 2.7618 2.8009 2.8027 2.8516 2.8527 3.2538 3.2556 3.2663 3.2675 3.7146 3.7327 3.8232 3.8318 3.9003 3.9054 4.2237 4.2270 4.3036 4.3139 4.3227 4.3395 4.3786 4.4019 4.5135 4.5246 4.5740 4.5849 4.6035 4.6119 4.9864 5.0215 5.0231 5.0371 5.1306 5.1452 5.2039 5.2186 5.4003 5.4183 6.0344 6.0371 6.0674 6.0696 8.0807 8.1024 8.6527 8.6730 8.8917 8.9349 9.0014 9.0193 9.1957 9.2458 10.7090 10.7209 11.5736 11.5755 k = 0.0536 0.5000-0.0000 ( 6474 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7325 -25.7325 -25.7314 -25.7313 -6.8410 -6.8409 -6.4886 -6.4822 -6.1318 -6.1240 -6.0773 -6.0772 1.2796 1.2879 1.7677 1.7679 1.8289 1.8328 2.0447 2.0575 2.7157 2.7330 2.7477 2.7645 2.8001 2.8025 2.8508 2.8524 3.2499 3.2538 3.2643 3.2672 3.7032 3.7298 3.8110 3.8227 3.9057 3.9126 4.2209 4.2254 4.2974 4.3076 4.3250 4.3408 4.3832 4.4156 4.5075 4.5282 4.5722 4.5836 4.6148 4.6296 4.9640 5.0151 5.0216 5.0336 5.1343 5.1494 5.2130 5.2310 5.4003 5.4274 6.0283 6.0323 6.0619 6.0650 8.0845 8.1169 8.6555 8.6864 8.8807 8.9390 8.9932 9.0153 9.1905 9.2647 10.7142 10.7319 11.5862 11.5889 k = 0.0714 0.5000-0.0000 ( 6470 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7325 -25.7325 -25.7314 -25.7314 -6.8374 -6.8373 -6.4878 -6.4792 -6.1357 -6.1256 -6.0800 -6.0799 1.2836 1.2947 1.7676 1.7679 1.8270 1.8322 2.0438 2.0608 2.7104 2.7352 2.7469 2.7667 2.7992 2.8019 2.8501 2.8520 3.2443 3.2510 3.2616 3.2670 3.6893 3.7241 3.7965 3.8106 3.9123 3.9206 4.2178 4.2229 4.2918 4.3022 4.3276 4.3413 4.3882 4.4292 4.5017 4.5340 4.5716 4.5833 4.6291 4.6494 4.9412 5.0029 5.0198 5.0299 5.1354 5.1508 5.2291 5.2457 5.4023 5.4383 6.0203 6.0256 6.0547 6.0586 8.0918 8.1349 8.6606 8.7028 8.8713 8.9356 8.9887 9.0084 9.1883 9.2853 10.7226 10.7459 11.6038 11.6070 k = 0.0893 0.5000-0.0000 ( 6462 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7325 -25.7325 -25.7314 -25.7314 -6.8328 -6.8326 -6.4865 -6.4758 -6.1404 -6.1280 -6.0835 -6.0832 1.2890 1.3027 1.7674 1.7678 1.8248 1.8312 2.0433 2.0645 2.7042 2.7372 2.7470 2.7685 2.7985 2.8009 2.8496 2.8515 3.2371 3.2469 3.2587 3.2667 3.6734 3.7160 3.7803 3.7958 3.9195 3.9290 4.2148 4.2197 4.2875 4.2982 4.3304 4.3417 4.3924 4.4407 4.4978 4.5408 4.5723 4.5846 4.6455 4.6709 4.9184 4.9869 5.0177 5.0268 5.1333 5.1497 5.2499 5.2618 5.4067 5.4511 6.0106 6.0173 6.0462 6.0507 8.1026 8.1562 8.6670 8.7215 8.8641 8.9246 8.9885 8.9993 9.1889 9.3069 10.7340 10.7628 11.6262 11.6294 k = 0.1071 0.5000-0.0000 ( 6462 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7314 -25.7314 -6.8272 -6.8270 -6.4847 -6.4719 -6.1457 -6.1314 -6.0879 -6.0871 1.2956 1.3121 1.7670 1.7677 1.8224 1.8299 2.0432 2.0688 2.6973 2.7388 2.7480 2.7699 2.7979 2.7994 2.8492 2.8511 3.2285 3.2411 3.2559 3.2664 3.6556 3.7058 3.7628 3.7787 3.9272 3.9376 4.2123 4.2161 4.2847 4.2954 4.3335 4.3421 4.3955 4.4481 4.4968 4.5465 4.5749 4.5894 4.6634 4.6935 4.8962 4.9691 5.0154 5.0237 5.1288 5.1465 5.2719 5.2781 5.4143 5.4655 5.9995 6.0075 6.0368 6.0418 8.1168 8.1807 8.6737 8.7417 8.8598 8.9092 8.9892 8.9904 9.1924 9.3290 10.7485 10.7825 11.6531 11.6552 k = 0.1250 0.5000-0.0000 ( 6474 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7314 -25.7314 -6.8206 -6.8203 -6.4823 -6.4675 -6.1518 -6.1358 -6.0929 -6.0915 1.3034 1.3225 1.7665 1.7674 1.8200 1.8284 2.0439 2.0736 2.6900 2.7399 2.7497 2.7711 2.7975 2.7976 2.8492 2.8507 3.2185 3.2335 3.2534 3.2659 3.6362 3.6937 3.7443 3.7596 3.9349 3.9460 4.2104 4.2125 4.2832 4.2937 4.3366 4.3426 4.3976 4.4508 4.4982 4.5488 4.5804 4.5985 4.6823 4.7170 4.8748 4.9506 5.0131 5.0204 5.1229 5.1414 5.2915 5.2937 5.4265 5.4814 5.9871 5.9963 6.0271 6.0324 8.1342 8.2081 8.6792 8.7621 8.8587 8.8922 8.9794 8.9931 9.1984 9.3511 10.7657 10.8046 11.6834 11.6839 k = 0.1429 0.5000-0.0000 ( 6474 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7315 -25.7315 -6.8131 -6.8128 -6.4795 -6.4627 -6.1586 -6.1411 -6.0986 -6.0964 1.3122 1.3340 1.7657 1.7670 1.8176 1.8267 2.0452 2.0791 2.6825 2.7402 2.7521 2.7724 2.7953 2.7977 2.8495 2.8506 3.2072 3.2242 3.2511 3.2652 3.6155 3.6801 3.7249 3.7388 3.9427 3.9542 4.2093 4.2094 4.2830 4.2931 4.3399 4.3433 4.3993 4.4500 4.5001 4.5481 4.5895 4.6110 4.7014 4.7409 4.8547 4.9323 5.0108 5.0166 5.1160 5.1348 5.3061 5.3078 5.4445 5.4987 5.9735 5.9836 6.0183 6.0235 8.1547 8.2382 8.6825 8.7804 8.8606 8.8759 8.9719 8.9970 9.2067 9.3729 10.7854 10.8290 11.7121 11.7178 k = 0.1607 0.5000-0.0000 ( 6482 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7315 -25.7315 -6.8047 -6.8043 -6.4761 -6.4574 -6.1661 -6.1475 -6.1049 -6.1016 1.3220 1.3461 1.7646 1.7665 1.8153 1.8247 2.0475 2.0855 2.6750 2.7394 2.7549 2.7740 2.7931 2.7983 2.8502 2.8508 3.1945 3.2133 3.2490 3.2645 3.5938 3.6652 3.7048 3.7166 3.9503 3.9620 4.2070 4.2090 4.2838 4.2934 4.3432 4.3440 4.4008 4.4476 4.5004 4.5452 4.6019 4.6247 4.7201 4.7643 4.8368 4.9149 5.0086 5.0124 5.1087 5.1270 5.3143 5.3194 5.4682 5.5169 5.9588 5.9694 6.0113 6.0163 8.1779 8.2707 8.6829 8.7923 8.8639 8.8640 8.9689 9.0033 9.2166 9.3939 10.8075 10.8554 11.7383 11.7533 k = 0.1786 0.5000-0.0000 ( 6484 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7327 -25.7327 -25.7316 -25.7316 -6.7954 -6.7950 -6.4723 -6.4518 -6.1742 -6.1549 -6.1118 -6.1072 1.3324 1.3588 1.7630 1.7657 1.8132 1.8227 2.0508 2.0928 2.6676 2.7376 2.7582 2.7757 2.7910 2.7996 2.8512 2.8512 3.1805 3.2009 3.2471 3.2636 3.5714 3.6491 3.6841 3.6932 3.9578 3.9694 4.2055 4.2096 4.2854 4.2945 4.3448 4.3465 4.4024 4.4447 4.4990 4.5412 4.6168 4.6381 4.7373 4.7846 4.8239 4.8993 5.0067 5.0079 5.1013 5.1181 5.3168 5.3281 5.4958 5.5356 5.9428 5.9536 6.0072 6.0119 8.2037 8.3053 8.6804 8.7923 8.8606 8.8666 8.9732 9.0136 9.2278 9.4140 10.8317 10.8834 11.7582 11.7871 k = 0.1964 0.5000-0.0000 ( 6494 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7327 -25.7327 -25.7316 -25.7316 -6.7853 -6.7849 -6.4681 -6.4457 -6.1830 -6.1632 -6.1192 -6.1130 1.3433 1.3719 1.7610 1.7647 1.8113 1.8204 2.0556 2.1013 2.6606 2.7349 2.7616 2.7776 2.7892 2.8017 2.8520 2.8524 3.1652 3.1870 3.2452 3.2626 3.5487 3.6321 3.6628 3.6689 3.9649 3.9761 4.2052 4.2109 4.2875 4.2965 4.3459 4.3495 4.4041 4.4418 4.4962 4.5364 4.6331 4.6496 4.7514 4.7911 4.8271 4.8870 5.0033 5.0050 5.0937 5.1085 5.3144 5.3332 5.5251 5.5541 5.9256 5.9365 6.0067 6.0115 8.2318 8.3414 8.6752 8.7813 8.8644 8.8669 8.9860 9.0291 9.2398 9.4329 10.8576 10.9128 11.7679 11.8126 k = 0.2143 0.5000-0.0000 ( 6498 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7327 -25.7327 -25.7317 -25.7317 -6.7745 -6.7740 -6.4634 -6.4394 -6.1924 -6.1725 -6.1271 -6.1192 1.3547 1.3851 1.7584 1.7635 1.8096 1.8180 2.0619 2.1111 2.6541 2.7314 2.7652 2.7794 2.7880 2.8045 2.8531 2.8539 3.1486 3.1717 3.2435 3.2615 3.5260 3.6143 3.6409 3.6440 3.9716 3.9822 4.2061 4.2129 4.2901 4.2992 4.3472 4.3523 4.4060 4.4392 4.4927 4.5311 4.6503 4.6577 4.7604 4.7857 4.8457 4.8797 4.9987 5.0037 5.0864 5.0983 5.3081 5.3344 5.5543 5.5720 5.9073 5.9184 6.0105 6.0158 8.2618 8.3786 8.6680 8.7656 8.8654 8.8695 9.0061 9.0498 9.2522 9.4503 10.8848 10.9432 11.7655 11.8211 k = 0.2321 0.5000-0.0000 ( 6494 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7328 -25.7328 -25.7317 -25.7317 -6.7629 -6.7623 -6.4584 -6.4327 -6.2025 -6.1826 -6.1353 -6.1256 1.3662 1.3981 1.7553 1.7619 1.8081 1.8154 2.0702 2.1224 2.6482 2.7274 2.7686 2.7811 2.7878 2.8081 2.8545 2.8556 3.1307 3.1549 3.2419 3.2603 3.5035 3.5957 3.6185 3.6187 3.9778 3.9877 4.2081 4.2156 4.2929 4.3025 4.3489 4.3548 4.4083 4.4370 4.4888 4.5256 4.6608 4.6676 4.7625 4.7820 4.8668 4.8791 4.9946 5.0027 5.0792 5.0879 5.2986 5.3315 5.5818 5.5886 5.8883 5.8995 6.0190 6.0252 8.2935 8.4160 8.6594 8.7491 8.8636 8.8732 9.0314 9.0749 9.2648 9.4661 10.9132 10.9741 11.7512 11.8095 k = 0.2500 0.5000-0.0000 ( 6452 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7328 -25.7327 -25.7317 -25.7317 -6.7507 -6.7501 -6.4530 -6.4258 -6.2131 -6.1934 -6.1438 -6.1323 1.3778 1.4108 1.7518 1.7599 1.8067 1.8127 2.0807 2.1354 2.6430 2.7232 2.7717 2.7829 2.7887 2.8122 2.8562 2.8575 3.1117 3.1368 3.2405 3.2592 3.4816 3.5766 3.5933 3.5958 3.9837 3.9926 4.2113 4.2189 4.2959 4.3062 4.3509 4.3568 4.4110 4.4354 4.4852 4.5200 4.6585 4.6847 4.7582 4.7834 4.8844 4.8873 4.9916 5.0022 5.0724 5.0777 5.2864 5.3247 5.6039 5.6065 5.8689 5.8804 6.0324 6.0396 8.3264 8.4529 8.6502 8.7340 8.8627 8.8754 9.0602 9.1030 9.2774 9.4801 10.9421 11.0051 11.7261 11.7817 k = 0.2679 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7328 -25.7328 -25.7317 -25.7317 -6.7379 -6.7373 -6.4473 -6.4187 -6.2242 -6.2049 -6.1525 -6.1393 1.3893 1.4231 1.7477 1.7575 1.8053 1.8098 2.0935 2.1501 2.6387 2.7186 2.7744 2.7847 2.7909 2.8164 2.8582 2.8592 3.0912 3.1171 3.2392 3.2578 3.4604 3.5566 3.5683 3.5727 3.9890 3.9969 4.2153 4.2227 4.2986 4.3100 4.3532 4.3582 4.4139 4.4343 4.4816 4.5143 4.6515 4.7001 4.7505 4.7896 4.8926 4.9060 4.9903 5.0016 5.0659 5.0681 5.2717 5.3140 5.6174 5.6277 5.8492 5.8612 6.0504 6.0583 8.3600 8.4876 8.6410 8.7219 8.8630 8.8766 9.0910 9.1327 9.2898 9.4921 10.9713 11.0359 11.6919 11.7423 k = 0.2857 0.5000-0.0000 ( 6484 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7329 -25.7329 -25.7318 -25.7318 -6.7246 -6.7240 -6.4414 -6.4115 -6.2358 -6.2169 -6.1614 -6.1465 1.4005 1.4346 1.7433 1.7547 1.8037 1.8068 2.1088 2.1667 2.6353 2.7140 2.7767 2.7867 2.7942 2.8207 2.8605 2.8611 3.0696 3.0961 3.2381 3.2566 3.4402 3.5352 3.5448 3.5497 3.9938 4.0006 4.2202 4.2270 4.3012 4.3138 4.3558 4.3591 4.4173 4.4340 4.4785 4.5088 4.6414 4.7095 4.7460 4.7992 4.9008 4.9227 4.9917 5.0007 5.0597 5.0602 5.2551 5.2999 5.6296 5.6454 5.8299 5.8422 6.0725 6.0807 8.3938 8.5183 8.6325 8.7147 8.8651 8.8774 9.1228 9.1628 9.3021 9.5020 11.0002 11.0658 11.6503 11.6947 k = 0.3036 0.5000-0.0000 ( 6474 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7329 -25.7329 -25.7318 -25.7318 -6.7110 -6.7103 -6.4353 -6.4044 -6.2476 -6.2292 -6.1703 -6.1539 1.4115 1.4454 1.7386 1.7514 1.8019 1.8037 2.1268 2.1851 2.6328 2.7094 2.7791 2.7888 2.7983 2.8248 2.8631 2.8632 3.0468 3.0738 3.2372 3.2553 3.4214 3.5120 3.5237 3.5268 3.9981 4.0039 4.2258 4.2318 4.3034 4.3173 4.3585 4.3594 4.4211 4.4347 4.4760 4.5036 4.6297 4.7058 4.7533 4.8109 4.9068 4.9368 4.9966 4.9987 5.0538 5.0549 5.2368 5.2830 5.6404 5.6597 5.8110 5.8237 6.0976 6.1057 8.4269 8.5425 8.6255 8.7144 8.8688 8.8784 9.1549 9.1925 9.3142 9.5096 11.0285 11.0943 11.6032 11.6415 k = 0.3214 0.5000-0.0000 ( 6470 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7329 -25.7329 -25.7318 -25.7318 -6.6971 -6.6964 -6.4291 -6.3973 -6.2595 -6.2418 -6.1792 -6.1615 1.4221 1.4552 1.7337 1.7476 1.7999 1.8006 2.1473 2.2053 2.6314 2.7047 2.7816 2.7911 2.8027 2.8286 2.8649 2.8661 3.0229 3.0502 3.2365 3.2540 3.4039 3.4882 3.5041 3.5044 4.0020 4.0067 4.2319 4.2369 4.3053 4.3200 4.3592 4.3613 4.4254 4.4363 4.4741 4.4987 4.6175 4.6938 4.7684 4.8239 4.9100 4.9482 4.9948 5.0049 5.0482 5.0530 5.2174 5.2637 5.6500 5.6710 5.7930 5.8061 6.1246 6.1321 8.4586 8.5582 8.6209 8.7223 8.8741 8.8800 9.1864 9.2211 9.3263 9.5149 11.0556 11.1209 11.5527 11.5852 k = 0.3393 0.5000-0.0000 ( 6474 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7330 -25.7330 -25.7319 -25.7319 -6.6830 -6.6824 -6.4229 -6.3907 -6.2713 -6.2543 -6.1880 -6.1693 1.4322 1.4642 1.7287 1.7434 1.7975 1.7976 2.1701 2.2269 2.6308 2.7000 2.7845 2.7935 2.8074 2.8318 2.8667 2.8692 2.9982 3.0256 3.2360 3.2528 3.3882 3.4649 3.4827 3.4853 4.0054 4.0092 4.2383 4.2424 4.3068 4.3219 4.3588 4.3639 4.4303 4.4390 4.4727 4.4944 4.6053 4.6793 4.7857 4.8375 4.9108 4.9569 4.9891 5.0156 5.0429 5.0542 5.1970 5.2428 5.6587 5.6796 5.7761 5.7895 6.1524 6.1590 8.4872 8.5659 8.6198 8.7367 8.8809 8.8829 9.2170 9.2479 9.3383 9.5178 11.0811 11.1449 11.5007 11.5280 k = 0.3571 0.5000-0.0000 ( 6464 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7330 -25.7330 -25.7319 -25.7319 -6.6690 -6.6684 -6.4169 -6.3846 -6.2826 -6.2665 -6.1965 -6.1771 1.4418 1.4721 1.7238 1.7388 1.7945 1.7953 2.1950 2.2498 2.6312 2.6953 2.7876 2.7960 2.8120 2.8346 2.8684 2.8723 2.9731 3.0002 3.2358 3.2516 3.3742 3.4428 3.4621 3.4674 4.0084 4.0113 4.2449 4.2483 4.3077 4.3225 4.3583 4.3660 4.4357 4.4426 4.4717 4.4907 4.5936 4.6642 4.8039 4.8515 4.9104 4.9628 4.9833 5.0274 5.0378 5.0571 5.1761 5.2209 5.6664 5.6860 5.7606 5.7743 6.1798 6.1854 8.5112 8.5681 8.6238 8.7537 8.8879 8.8889 9.2461 9.2726 9.3503 9.5182 11.1047 11.1660 11.4490 11.4716 k = 0.3750 0.5000-0.0000 ( 6464 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7330 -25.7330 -25.7319 -25.7319 -6.6553 -6.6547 -6.4112 -6.3796 -6.2931 -6.2782 -6.2046 -6.1850 1.4509 1.4790 1.7190 1.7338 1.7917 1.7929 2.2213 2.2732 2.6325 2.6905 2.7908 2.7983 2.8166 2.8368 2.8697 2.8754 2.9480 2.9743 3.2359 3.2504 3.3622 3.4221 3.4429 3.4503 4.0110 4.0132 4.2516 4.2543 4.3082 4.3219 4.3579 4.3676 4.4414 4.4471 4.4712 4.4878 4.5826 4.6489 4.8224 4.8653 4.9098 4.9642 4.9803 5.0321 5.0403 5.0601 5.1551 5.1988 5.6732 5.6904 5.7467 5.7606 6.2060 6.2105 8.5287 8.5675 8.6339 8.7691 8.8956 8.8979 9.2733 9.2951 9.3623 9.5161 11.1261 11.1835 11.3993 11.4177 k = 0.3929 0.5000-0.0000 ( 6468 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7331 -25.7331 -25.7319 -25.7319 -6.6421 -6.6415 -6.4060 -6.3762 -6.3020 -6.2889 -6.2122 -6.1929 1.4593 1.4848 1.7146 1.7287 1.7892 1.7906 2.2486 2.2967 2.6346 2.6855 2.7939 2.8004 2.8210 2.8385 2.8704 2.8782 2.9240 2.9485 3.2362 3.2493 3.3523 3.4033 3.4254 3.4343 4.0131 4.0148 4.2583 4.2606 4.3082 4.3200 4.3579 4.3685 4.4473 4.4522 4.4708 4.4858 4.5728 4.6339 4.8408 4.8787 4.9098 4.9607 4.9822 5.0272 5.0519 5.0616 5.1342 5.1774 5.6790 5.6930 5.7347 5.7488 6.2302 6.2336 8.5398 8.5658 8.6498 8.7800 8.9062 8.9075 9.2982 9.3153 9.3741 9.5115 11.1450 11.1973 11.3532 11.3679 k = 0.4107 0.5000-0.0000 ( 6466 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7331 -25.7331 -25.7319 -25.7319 -6.6296 -6.6291 -6.4016 -6.3750 -6.3088 -6.2982 -6.2188 -6.2005 1.4671 1.4894 1.7107 1.7236 1.7870 1.7884 2.2759 2.3192 2.6372 2.6805 2.7966 2.8021 2.8251 2.8397 2.8695 2.8805 2.9032 2.9234 3.2368 3.2482 3.3445 3.3865 3.4101 3.4196 4.0150 4.0161 4.2648 4.2668 4.3077 4.3172 4.3582 4.3687 4.4529 4.4575 4.4708 4.4850 4.5643 4.6192 4.8582 4.8908 4.9117 4.9566 4.9862 5.0222 5.0601 5.0624 5.1142 5.1581 5.6837 5.6940 5.7250 5.7392 6.2516 6.2541 8.5463 8.5639 8.6691 8.7857 8.9175 8.9185 9.3204 9.3336 9.3855 9.5046 11.1613 11.2072 11.3120 11.3235 k = 0.4286 0.5000-0.0000 ( 6466 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7331 -25.7331 -25.7319 -25.7319 -6.6184 -6.6180 -6.3983 -6.3763 -6.3130 -6.3056 -6.2244 -6.2079 1.4742 1.4928 1.7076 1.7187 1.7852 1.7864 2.3024 2.3397 2.6404 2.6754 2.7985 2.8030 2.8289 2.8404 2.8637 2.8821 2.8898 2.9002 3.2377 3.2470 3.3390 3.3721 3.3972 3.4065 4.0165 4.0172 4.2712 4.2731 4.3066 4.3136 4.3587 4.3683 4.4578 4.4626 4.4713 4.4853 4.5576 4.6051 4.8732 4.9001 4.9170 4.9551 4.9907 5.0169 5.0540 5.0700 5.0967 5.1421 5.6870 5.6935 5.7180 5.7317 6.2697 6.2715 8.5503 8.5622 8.6894 8.7866 8.9274 8.9308 9.3396 9.3499 9.3962 9.4954 11.1752 11.2132 11.2770 11.2855 k = 0.4464 0.5000-0.0000 ( 6478 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7332 -25.7332 -25.7320 -25.7320 -6.6089 -6.6085 -6.3959 -6.3795 -6.3150 -6.3109 -6.2284 -6.2147 1.4805 1.4949 1.7053 1.7142 1.7838 1.7848 2.3268 2.3568 2.6439 2.6702 2.7991 2.8030 2.8324 2.8406 2.8532 2.8773 2.8855 2.8856 3.2388 3.2459 3.3356 3.3600 3.3872 3.3952 4.0176 4.0181 4.2773 4.2791 4.3047 4.3093 4.3595 4.3673 4.4614 4.4661 4.4731 4.4863 4.5532 4.5917 4.8838 4.9048 4.9279 4.9585 4.9957 5.0115 5.0428 5.0659 5.0909 5.1302 5.6884 5.6920 5.7142 5.7261 6.2842 6.2854 8.5529 8.5608 8.7090 8.7836 8.9365 8.9412 9.3555 9.3638 9.4065 9.4842 11.1867 11.2154 11.2495 11.2549 k = 0.4643 0.5000-0.0000 ( 6482 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7332 -25.7332 -25.7320 -25.7320 -6.6015 -6.6012 -6.3942 -6.3835 -6.3157 -6.3141 -6.2307 -6.2208 1.4858 1.4957 1.7041 1.7102 1.7828 1.7835 2.3477 2.3688 2.6477 2.6652 2.7985 2.8018 2.8354 2.8403 2.8447 2.8618 2.8848 2.8854 3.2399 3.2448 3.3343 3.3504 3.3803 3.3862 4.0184 4.0187 4.2833 4.2848 4.3022 4.3046 4.3605 4.3659 4.4639 4.4672 4.4770 4.4872 4.5519 4.5795 4.8905 4.9050 4.9437 4.9665 5.0008 5.0056 5.0281 5.0510 5.0961 5.1216 5.6883 5.6901 5.7133 5.7221 6.2948 6.2955 8.5548 8.5597 8.7271 8.7774 8.9442 8.9487 9.3679 9.3744 9.4173 9.4714 11.1958 11.2135 11.2311 11.2327 k = 0.4821 0.5000-0.0000 ( 6484 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7320 -25.7320 -6.5968 -6.5966 -6.3926 -6.3874 -6.3160 -6.3156 -6.2310 -6.2257 1.4901 1.4951 1.7040 1.7071 1.7823 1.7826 2.3634 2.3744 2.6516 2.6603 2.7976 2.7998 2.8375 2.8394 2.8415 2.8505 2.8850 2.8855 3.2412 3.2436 3.3352 3.3431 3.3768 3.3799 4.0189 4.0190 4.2890 4.2902 4.2989 4.2997 4.3617 4.3645 4.4655 4.4671 4.4812 4.4868 4.5542 4.5687 4.8951 4.9025 4.9620 4.9761 4.9990 5.0011 5.0175 5.0358 5.1026 5.1150 5.6878 5.6885 5.7144 5.7190 6.3013 6.3016 8.5563 8.5586 8.7432 8.7684 8.9499 8.9526 9.3764 9.3801 9.4295 9.4575 11.2019 11.2080 11.2201 11.2222 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7320 -25.7320 -6.5951 -6.5951 -6.3905 -6.3905 -6.3160 -6.3160 -6.2292 -6.2292 1.4932 1.4932 1.7050 1.7050 1.7822 1.7822 2.3726 2.3726 2.6558 2.6558 2.7980 2.7980 2.8383 2.8383 2.8440 2.8440 2.8854 2.8854 3.2424 3.2424 3.3381 3.3381 3.3766 3.3766 4.0191 4.0191 4.2943 4.2943 4.2949 4.2949 4.3630 4.3630 4.4665 4.4665 4.4847 4.4847 4.5600 4.5600 4.8990 4.8990 4.9780 4.9780 4.9937 4.9937 5.0233 5.0233 5.1088 5.1088 5.6877 5.6877 5.7164 5.7164 6.3035 6.3035 8.5575 8.5575 8.7570 8.7570 8.9529 8.9529 9.3806 9.3806 9.4432 9.4432 11.2044 11.2044 11.2181 11.2181 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7320 -25.7320 -6.5951 -6.5951 -6.3905 -6.3905 -6.3160 -6.3160 -6.2292 -6.2292 1.4932 1.4932 1.7050 1.7050 1.7822 1.7822 2.3726 2.3726 2.6558 2.6558 2.7980 2.7980 2.8383 2.8383 2.8440 2.8440 2.8854 2.8854 3.2424 3.2424 3.3381 3.3381 3.3766 3.3766 4.0191 4.0191 4.2943 4.2943 4.2949 4.2949 4.3630 4.3630 4.4665 4.4665 4.4847 4.4847 4.5600 4.5600 4.8990 4.8990 4.9780 4.9780 4.9937 4.9937 5.0233 5.0233 5.1088 5.1088 5.6877 5.6877 5.7164 5.7164 6.3035 6.3035 8.5575 8.5575 8.7570 8.7570 8.9529 8.9529 9.3806 9.3806 9.4432 9.4432 11.2044 11.2044 11.2181 11.2181 k = 0.4875 0.4875-0.0000 ( 6478 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7332 -25.7332 -25.7320 -25.7320 -6.5967 -6.5966 -6.3925 -6.3875 -6.3159 -6.3157 -6.2310 -6.2257 1.4901 1.4951 1.7039 1.7071 1.7823 1.7827 2.3636 2.3744 2.6516 2.6603 2.7975 2.7999 2.8377 2.8394 2.8414 2.8503 2.8850 2.8856 3.2412 3.2436 3.3353 3.3429 3.3769 3.3798 4.0189 4.0191 4.2875 4.2942 4.2949 4.3012 4.3617 4.3645 4.4655 4.4672 4.4812 4.4869 4.5541 4.5687 4.8951 4.9025 4.9620 4.9767 4.9980 5.0015 5.0176 5.0357 5.1027 5.1149 5.6878 5.6885 5.7144 5.7189 6.3013 6.3016 8.5563 8.5586 8.7433 8.7683 8.9499 8.9527 9.3759 9.3806 9.4300 9.4571 11.2035 11.2037 11.2223 11.2226 k = 0.4750 0.4750-0.0000 ( 6482 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7332 -25.7332 -25.7320 -25.7320 -6.6014 -6.6013 -6.3935 -6.3837 -6.3153 -6.3149 -6.2309 -6.2207 1.4859 1.4957 1.7033 1.7100 1.7834 1.7838 2.3479 2.3688 2.6477 2.6652 2.7980 2.8031 2.8376 2.8399 2.8438 2.8601 2.8845 2.8856 3.2399 3.2448 3.3352 3.3485 3.3814 3.3856 4.0184 4.0187 4.2801 4.2935 4.2947 4.3069 4.3605 4.3659 4.4641 4.4674 4.4766 4.4876 4.5511 4.5798 4.8905 4.9047 4.9441 4.9683 5.0006 5.0035 5.0283 5.0509 5.0962 5.1216 5.6888 5.6900 5.7130 5.7219 6.2951 6.2957 8.5549 8.5595 8.7275 8.7772 8.9439 8.9492 9.3642 9.3776 9.4198 9.4696 11.1918 11.1998 11.2362 11.2447 k = 0.4625 0.4625-0.0000 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7332 -25.7332 -25.7320 -25.7320 -6.6089 -6.6089 -6.3933 -6.3793 -6.3141 -6.3138 -6.2290 -6.2144 1.4806 1.4951 1.7022 1.7125 1.7862 1.7866 2.3268 2.3562 2.6440 2.6704 2.7988 2.8065 2.8383 2.8411 2.8502 2.8732 2.8841 2.8858 3.2386 3.2461 3.3379 3.3540 3.3908 3.3937 4.0176 4.0181 4.2724 4.2924 4.2942 4.3117 4.3594 4.3671 4.4623 4.4673 4.4712 4.4869 4.5510 4.5930 4.8844 4.9014 4.9320 4.9609 4.9949 5.0082 5.0429 5.0661 5.0910 5.1301 5.6904 5.6918 5.7126 5.7253 6.2850 6.2860 8.5532 8.5604 8.7097 8.7836 8.9353 8.9426 9.3454 9.3726 9.4130 9.4798 11.1729 11.1872 11.2645 11.2806 k = 0.4500 0.4500-0.0000 ( 6462 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7331 -25.7331 -25.7319 -25.7319 -6.6192 -6.6190 -6.3921 -6.3743 -6.3123 -6.3122 -6.2255 -6.2070 1.4745 1.4933 1.6991 1.7132 1.7918 1.7924 2.3013 2.3378 2.6407 2.6759 2.7991 2.8087 2.8401 2.8439 2.8594 2.8826 2.8874 2.8905 3.2374 3.2475 3.3432 3.3594 3.4040 3.4048 4.0165 4.0173 4.2647 4.2911 4.2935 4.3155 4.3584 4.3678 4.4602 4.4657 4.4671 4.4853 4.5535 4.6078 4.8765 4.8881 4.9312 4.9563 4.9891 5.0121 5.0539 5.0708 5.0967 5.1422 5.6925 5.6934 5.7136 5.7291 6.2716 6.2730 8.5512 8.5612 8.6902 8.7873 8.9245 8.9334 9.3216 9.3660 9.4077 9.4871 11.1478 11.1670 11.3054 11.3285 k = 0.4375 0.4375-0.0000 ( 6458 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7331 -25.7331 -25.7319 -25.7319 -6.6319 -6.6315 -6.3898 -6.3689 -6.3101 -6.3098 -6.2206 -6.1990 1.4675 1.4904 1.6932 1.7104 1.8010 1.8023 2.2726 2.3147 2.6381 2.6816 2.7985 2.8093 2.8433 2.8482 2.8674 2.8827 2.8942 2.9088 3.2362 3.2491 3.3507 3.3650 3.4163 3.4223 4.0150 4.0163 4.2570 4.2895 4.2926 4.3183 4.3573 4.3675 4.4581 4.4603 4.4667 4.4828 4.5586 4.6239 4.8666 4.8700 4.9362 4.9548 4.9834 5.0154 5.0597 5.0637 5.1144 5.1583 5.6946 5.6949 5.7159 5.7331 6.2555 6.2574 8.5487 8.5618 8.6691 8.7885 8.9120 8.9218 9.2948 9.3581 9.4022 9.4913 11.1166 11.1398 11.3568 11.3869 k = 0.4250 0.4250-0.0000 ( 6466 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7331 -25.7331 -25.7319 -25.7319 -6.6467 -6.6459 -6.3865 -6.3632 -6.3073 -6.3066 -6.2146 -6.1905 1.4598 1.4863 1.6841 1.7038 1.8136 1.8164 2.2417 2.2882 2.6365 2.6875 2.7968 2.8085 2.8476 2.8543 2.8701 2.8831 2.9096 2.9291 3.2352 3.2510 3.3601 3.3713 3.4303 3.4422 4.0132 4.0150 4.2494 4.2878 4.2914 4.3203 4.3561 4.3659 4.4549 4.4564 4.4659 4.4798 4.5660 4.6408 4.8511 4.8552 4.9434 4.9559 4.9780 5.0182 5.0537 5.0609 5.1348 5.1776 5.6957 5.6977 5.7190 5.7370 6.2375 6.2398 8.5457 8.5624 8.6467 8.7871 8.8983 8.9084 9.2663 9.3487 9.3956 9.4923 11.0796 11.1058 11.4168 11.4541 k = 0.4125 0.4125-0.0000 ( 6470 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7330 -25.7330 -25.7319 -25.7319 -6.6632 -6.6621 -6.3825 -6.3572 -6.3038 -6.3027 -6.2079 -6.1818 1.4513 1.4811 1.6720 1.6937 1.8292 1.8341 2.2094 2.2595 2.6363 2.6937 2.7942 2.8066 2.8526 2.8618 2.8697 2.8847 2.9305 2.9508 3.2343 3.2531 3.3707 3.3784 3.4460 3.4640 4.0110 4.0136 4.2419 4.2859 4.2902 4.3214 4.3546 4.3629 4.4500 4.4552 4.4645 4.4770 4.5756 4.6585 4.8323 4.8429 4.9515 4.9584 4.9735 5.0205 5.0430 5.0587 5.1559 5.1990 5.6972 5.7008 5.7219 5.7403 6.2183 6.2212 8.5419 8.5628 8.6233 8.7835 8.8839 8.8937 9.2367 9.3378 9.3873 9.4902 11.0369 11.0654 11.4833 11.5282 k = 0.4000 0.4000-0.0000 ( 6466 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7330 -25.7330 -25.7319 -25.7319 -6.6812 -6.6797 -6.3776 -6.3508 -6.2996 -6.2982 -6.2006 -6.1731 1.4420 1.4748 1.6571 1.6805 1.8467 1.8542 2.1765 2.2298 2.6380 2.7004 2.7909 2.8043 2.8570 2.8671 2.8718 2.8884 2.9546 2.9733 3.2338 3.2557 3.3824 3.3862 3.4631 3.4870 4.0085 4.0120 4.2346 4.2841 4.2889 4.3219 4.3527 4.3583 4.4453 4.4547 4.4623 4.4749 4.5872 4.6765 4.8141 4.8301 4.9593 4.9599 4.9725 5.0205 5.0341 5.0540 5.1773 5.2214 5.6995 5.7042 5.7238 5.7425 6.1993 6.2027 8.5374 8.5628 8.5992 8.7777 8.8690 8.8783 9.2068 9.3254 9.3771 9.4850 10.9887 11.0189 11.5538 11.6066 k = 0.3875 0.3875-0.0000 ( 6456 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7329 -25.7329 -25.7318 -25.7318 -6.7003 -6.6986 -6.3721 -6.3442 -6.2947 -6.2929 -6.1931 -6.1645 1.4318 1.4671 1.6400 1.6646 1.8652 1.8757 2.1443 2.2003 2.6420 2.7075 2.7872 2.8020 2.8599 2.8651 2.8818 2.8951 2.9806 2.9966 3.2336 3.2587 3.3947 3.3947 3.4813 3.5108 4.0056 4.0101 4.2276 4.2823 4.2877 4.3219 4.3502 4.3522 4.4410 4.4551 4.4592 4.4741 4.6005 4.6947 4.7967 4.8173 4.9561 4.9680 4.9770 5.0129 5.0330 5.0478 5.1987 5.2438 5.7027 5.7077 5.7242 5.7435 6.1814 6.1854 8.5320 8.5623 8.5751 8.7701 8.8540 8.8625 9.1768 9.3114 9.3647 9.4768 10.9354 10.9669 11.6255 11.6865 k = 0.3750 0.3750-0.0000 ( 6468 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7329 -25.7329 -25.7318 -25.7318 -6.7204 -6.7185 -6.3659 -6.3372 -6.2890 -6.2870 -6.1854 -6.1562 1.4206 1.4580 1.6207 1.6464 1.8833 1.8968 2.1143 2.1725 2.6484 2.7150 2.7831 2.8000 2.8611 2.8626 2.8934 2.9049 3.0080 3.0203 3.2337 3.2621 3.4037 3.4073 3.5005 3.5350 4.0023 4.0081 4.2208 4.2805 4.2865 4.3214 4.3448 4.3467 4.4372 4.4556 4.4561 4.4742 4.6151 4.7125 4.7803 4.8046 4.9509 4.9749 4.9842 5.0012 5.0367 5.0403 5.2198 5.2657 5.7052 5.7098 5.7241 5.7440 6.1658 6.1704 8.5255 8.5487 8.5631 8.7609 8.8392 8.8468 9.1472 9.2957 9.3499 9.4656 10.8772 10.9096 11.6949 11.7644 k = 0.3625 0.3625-0.0000 ( 6470 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7329 -25.7329 -25.7318 -25.7318 -6.7412 -6.7391 -6.3591 -6.3300 -6.2827 -6.2806 -6.1778 -6.1481 1.4085 1.4474 1.5995 1.6260 1.8987 1.9146 2.0893 2.1487 2.6576 2.7227 2.7790 2.7989 2.8601 2.8610 2.9062 2.9172 3.0363 3.0443 3.2343 3.2660 3.4131 3.4200 3.5202 3.5592 3.9987 4.0059 4.2143 4.2788 4.2855 4.3204 4.3363 4.3421 4.4340 4.4522 4.4580 4.4751 4.6306 4.7286 4.7662 4.7921 4.9451 4.9781 4.9908 4.9926 5.0322 5.0424 5.2408 5.2870 5.7020 5.7077 5.7283 5.7467 6.1534 6.1585 8.5181 8.5241 8.5618 8.7501 8.8249 8.8315 9.1180 9.2782 9.3328 9.4516 10.8146 10.8476 11.7578 11.8348 k = 0.3500 0.3500-0.0000 ( 6466 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7328 -25.7328 -25.7318 -25.7318 -6.7626 -6.7604 -6.3519 -6.3225 -6.2757 -6.2735 -6.1704 -6.1406 1.3952 1.4351 1.5767 1.6038 1.9087 1.9241 2.0744 2.1319 2.6696 2.7299 2.7748 2.7993 2.8579 2.8601 2.9201 2.9313 3.0654 3.0686 3.2354 3.2704 3.4228 3.4329 3.5402 3.5831 3.9948 4.0034 4.2083 4.2771 4.2846 4.3183 4.3280 4.3361 4.4316 4.4497 4.4606 4.4766 4.6468 4.7358 4.7616 4.7800 4.9387 4.9700 4.9899 5.0014 5.0239 5.0494 5.2617 5.3075 5.6912 5.6989 5.7384 5.7540 6.1448 6.1504 8.4993 8.5098 8.5601 8.7376 8.8115 8.8170 9.0894 9.2589 9.3132 9.4349 10.7480 10.7814 11.8083 11.8754 k = 0.3375 0.3375-0.0000 ( 6462 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7327 -25.7327 -25.7318 -25.7318 -6.7843 -6.7821 -6.3441 -6.3148 -6.2682 -6.2660 -6.1632 -6.1334 1.3807 1.4212 1.5523 1.5799 1.9097 1.9197 2.0751 2.1255 2.6845 2.7359 2.7707 2.8018 2.8564 2.8590 2.9349 2.9470 3.0932 3.0948 3.2371 3.2755 3.4327 3.4456 3.5602 3.6065 3.9907 4.0008 4.2027 4.2751 4.2838 4.3122 4.3231 4.3288 4.4299 4.4482 4.4639 4.4787 4.6633 4.7268 4.7684 4.7734 4.9319 4.9567 4.9926 5.0102 5.0157 5.0570 5.2829 5.3274 5.6748 5.6839 5.7528 5.7656 6.1402 6.1461 8.4748 8.5005 8.5579 8.7232 8.7996 8.8033 9.0614 9.2378 9.2912 9.4156 10.6779 10.7114 11.8405 11.8856 k = 0.3250 0.3250-0.0000 ( 6476 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7327 -25.7327 -25.7318 -25.7318 -6.8063 -6.8040 -6.3359 -6.3068 -6.2601 -6.2580 -6.1563 -6.1268 1.3651 1.4057 1.5267 1.5544 1.9003 1.9022 2.0905 2.1309 2.7020 2.7401 2.7667 2.8061 2.8566 2.8577 2.9508 2.9638 3.1178 3.1244 3.2396 3.2815 3.4426 3.4582 3.5799 3.6290 3.9862 3.9978 4.1978 4.2718 4.2827 4.3034 4.3203 4.3217 4.4288 4.4479 4.4679 4.4812 4.6795 4.7139 4.7575 4.7893 4.9242 4.9426 4.9948 5.0078 5.0188 5.0647 5.3046 5.3469 5.6538 5.6640 5.7705 5.7806 6.1394 6.1454 8.4508 8.4905 8.5550 8.7070 8.7892 8.7907 9.0340 9.2149 9.2667 9.3936 10.6046 10.6381 11.8581 11.8916 k = 0.3125 0.3125-0.0000 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7326 -25.7326 -25.7318 -25.7318 -6.8283 -6.8262 -6.3274 -6.2987 -6.2516 -6.2496 -6.1498 -6.1208 1.3484 1.3885 1.4999 1.5276 1.8770 1.8821 2.1151 2.1465 2.7218 2.7421 2.7628 2.8109 2.8567 2.8601 2.9675 2.9818 3.1422 3.1536 3.2429 3.2886 3.4526 3.4706 3.5992 3.6504 3.9815 3.9944 4.1937 4.2656 4.2807 4.2960 4.3117 4.3217 4.4284 4.4491 4.4725 4.4841 4.6949 4.7007 4.7478 4.8053 4.9157 4.9285 4.9964 5.0011 5.0265 5.0718 5.3273 5.3667 5.6294 5.6404 5.7911 5.7983 6.1419 6.1478 8.4275 8.4798 8.5514 8.6892 8.7789 8.7803 9.0070 9.1902 9.2401 9.3693 10.5285 10.5620 11.8692 11.8965 k = 0.3000 0.3000-0.0000 ( 6490 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7317 -25.7317 -6.8504 -6.8483 -6.3185 -6.2904 -6.2427 -6.2408 -6.1436 -6.1152 1.3306 1.3699 1.4721 1.4996 1.8484 1.8579 2.1445 2.1694 2.7424 2.7428 2.7592 2.8139 2.8567 2.8688 2.9850 3.0008 3.1663 3.1818 3.2477 3.2976 3.4625 3.4827 3.6178 3.6706 3.9767 3.9908 4.1905 4.2552 4.2761 4.2921 4.3047 4.3227 4.4286 4.4515 4.4779 4.4875 4.6879 4.7075 4.7409 4.8206 4.9062 4.9149 4.9955 4.9975 5.0332 5.0778 5.3517 5.3872 5.6023 5.6142 5.8142 5.8185 6.1470 6.1527 8.4049 8.4685 8.5470 8.6702 8.7681 8.7727 8.9804 9.1640 9.2114 9.3426 10.4500 10.4833 11.8776 11.9008 k = 0.2875 0.2875-0.0000 ( 6498 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7325 -25.7325 -25.7317 -25.7317 -6.8723 -6.8703 -6.3093 -6.2819 -6.2334 -6.2317 -6.1378 -6.1103 1.3118 1.3499 1.4436 1.4707 1.8184 1.8304 2.1766 2.1968 2.7416 2.7549 2.7645 2.8140 2.8591 2.8829 3.0032 3.0205 3.1891 3.2081 3.2545 3.3091 3.4723 3.4945 3.6354 3.6893 3.9716 3.9866 4.1882 4.2414 4.2673 4.2910 4.3012 4.3246 4.4295 4.4553 4.4839 4.4913 4.6756 4.7120 4.7420 4.8341 4.8958 4.9026 4.9913 4.9981 5.0388 5.0825 5.3779 5.4091 5.5734 5.5862 5.8392 5.8406 6.1540 6.1594 8.3831 8.4569 8.5419 8.6504 8.7579 8.7658 8.9541 9.1365 9.1809 9.3137 10.3694 10.4023 11.8846 11.9046 k = 0.2750 0.2750-0.0000 ( 6492 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7324 -25.7324 -25.7317 -25.7317 -6.8940 -6.8921 -6.3000 -6.2734 -6.2238 -6.2224 -6.1323 -6.1058 1.2921 1.3288 1.4145 1.4411 1.7881 1.8012 2.2102 2.2271 2.7401 2.7519 2.7820 2.8119 2.8664 2.9012 3.0221 3.0409 3.2092 3.2311 3.2650 3.3245 3.4820 3.5061 3.6521 3.7063 3.9665 3.9820 4.1868 4.2256 4.2553 4.2916 4.3009 4.3278 4.4309 4.4601 4.4906 4.4955 4.6639 4.7074 4.7519 4.8438 4.8850 4.8939 4.9884 4.9984 5.0429 5.0858 5.4063 5.4329 5.5435 5.5573 5.8642 5.8657 6.1623 6.1672 8.3623 8.4449 8.5363 8.6304 8.7481 8.7592 8.9279 9.1078 9.1489 9.2829 10.2868 10.3194 11.8904 11.9080 k = 0.2625 0.2625-0.0000 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7323 -25.7323 -25.7316 -25.7316 -6.9153 -6.9136 -6.2904 -6.2649 -6.2141 -6.2129 -6.1272 -6.1018 1.2718 1.3068 1.3850 1.4109 1.7579 1.7712 2.2446 2.2590 2.7382 2.7487 2.7937 2.8085 2.8813 2.9224 3.0415 3.0618 3.2251 3.2497 3.2806 3.3445 3.4916 3.5173 3.6676 3.7215 3.9612 3.9768 4.1855 4.2085 4.2422 4.2932 4.3025 4.3324 4.4328 4.4660 4.4978 4.5001 4.6529 4.7000 4.7639 4.8456 4.8741 4.8930 4.9868 4.9982 5.0457 5.0878 5.4367 5.4585 5.5137 5.5285 5.8890 5.8933 6.1712 6.1757 8.3426 8.4327 8.5302 8.6105 8.7384 8.7525 8.9019 9.0782 9.1156 9.2502 10.2025 10.2347 11.8952 11.9111 k = 0.2500 0.2500-0.0000 ( 6500 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7323 -25.7323 -25.7316 -25.7316 -6.9362 -6.9347 -6.2808 -6.2565 -6.2042 -6.2032 -6.1225 -6.0983 1.2509 1.2841 1.3552 1.3803 1.7282 1.7411 2.2793 2.2919 2.7361 2.7457 2.7987 2.8042 2.9039 2.9455 3.0614 3.0831 3.2365 3.2642 3.3015 3.3689 3.5011 3.5282 3.6818 3.7349 3.9557 3.9710 4.1826 4.1902 4.2309 4.2954 4.3051 4.3384 4.4351 4.4726 4.5051 4.5054 4.6425 4.6920 4.7749 4.8387 4.8642 4.9003 4.9864 4.9976 5.0471 5.0888 5.4656 5.4753 5.4952 5.5035 5.9146 5.9215 6.1804 6.1843 8.3240 8.4203 8.5237 8.5911 8.7284 8.7454 8.8759 9.0481 9.0815 9.2159 10.1167 10.1484 11.8988 11.9139 k = 0.2375 0.2375-0.0000 ( 6486 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7322 -25.7322 -25.7316 -25.7316 -6.9566 -6.9553 -6.2711 -6.2481 -6.1942 -6.1935 -6.1180 -6.0953 1.2298 1.2610 1.3254 1.3497 1.6992 1.7113 2.3141 2.3252 2.7339 2.7428 2.7990 2.7994 2.9318 2.9697 3.0816 3.1047 3.2454 3.2755 3.3259 3.3966 3.5104 3.5389 3.6947 3.7465 3.9501 3.9647 4.1713 4.1749 4.2249 4.2983 4.3087 4.3461 4.4380 4.4798 4.5107 4.5135 4.6329 4.6842 4.7829 4.8279 4.8569 4.9116 4.9871 4.9965 5.0475 5.0894 5.4499 5.4617 5.5141 5.5221 5.9406 5.9498 6.1894 6.1927 8.3067 8.4077 8.5170 8.5724 8.7177 8.7375 8.8500 9.0178 9.0470 9.1804 10.0295 10.0607 11.9009 11.9165 k = 0.2250 0.2250-0.0000 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7321 -25.7321 -25.7316 -25.7316 -6.9764 -6.9752 -6.2615 -6.2399 -6.1843 -6.1837 -6.1138 -6.0926 1.2085 1.2376 1.2957 1.3190 1.6709 1.6820 2.3486 2.3585 2.7318 2.7401 2.7943 2.7969 2.9623 2.9946 3.1020 3.1263 3.2531 3.2847 3.3523 3.4260 3.5197 3.5493 3.7062 3.7562 3.9442 3.9577 4.1516 4.1614 4.2256 4.3016 4.3131 4.3554 4.4413 4.4870 4.5170 4.5218 4.6241 4.6767 4.7856 4.8157 4.8546 4.9241 4.9886 4.9949 5.0470 5.0898 5.4207 5.4354 5.5501 5.5561 5.9666 5.9779 6.1980 6.2007 8.2906 8.3950 8.5100 8.5547 8.7059 8.7287 8.8242 8.9876 9.0124 9.1437 9.9410 9.9717 11.9010 11.9190 k = 0.2125 0.2125-0.0000 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7320 -25.7320 -25.7316 -25.7315 -6.9956 -6.9946 -6.2519 -6.2319 -6.1744 -6.1741 -6.1099 -6.0904 1.1872 1.2143 1.2664 1.2887 1.6436 1.6534 2.3825 2.3915 2.7297 2.7375 2.7891 2.7933 2.9939 3.0198 3.1226 3.1478 3.2605 3.2926 3.3798 3.4563 3.5291 3.5595 3.7164 3.7641 3.9381 3.9503 4.1314 4.1439 4.2312 4.3052 4.3182 4.3662 4.4451 4.4938 4.5242 4.5302 4.6163 4.6697 4.7820 4.8032 4.8582 4.9371 4.9909 4.9926 5.0460 5.0904 5.3920 5.4078 5.5902 5.5931 5.9924 6.0054 6.2059 6.2080 8.2761 8.3823 8.5030 8.5381 8.6929 8.7186 8.7987 8.9579 8.9780 9.1064 9.8514 9.8816 11.8992 11.9212 k = 0.2000 0.2000-0.0000 ( 6492 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7320 -25.7320 -25.7315 -25.7315 -7.0140 -7.0131 -6.2425 -6.2242 -6.1646 -6.1645 -6.1062 -6.0885 1.1662 1.1913 1.2377 1.2588 1.6171 1.6258 2.4157 2.4238 2.7276 2.7351 2.7837 2.7889 3.0255 3.0448 3.1431 3.1689 3.2680 3.2997 3.4078 3.4866 3.5385 3.5696 3.7252 3.7704 3.9317 3.9424 4.1108 4.1242 4.2397 4.3093 4.3241 4.3785 4.4493 4.4996 4.5326 4.5387 4.6096 4.6633 4.7737 4.7908 4.8666 4.9500 4.9897 4.9938 5.0449 5.0915 5.3642 5.3808 5.6328 5.6328 6.0177 6.0321 6.2130 6.2145 8.2630 8.3697 8.4960 8.5226 8.6783 8.7072 8.7737 8.9289 8.9443 9.0687 9.7610 9.7907 11.8958 11.9229 k = 0.1875 0.1875-0.0000 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7319 -25.7319 -25.7315 -25.7315 -7.0317 -7.0309 -6.2334 -6.2168 -6.1551 -6.1550 -6.1027 -6.0868 1.1457 1.1687 1.2096 1.2296 1.5917 1.5992 2.4480 2.4553 2.7257 2.7328 2.7784 2.7842 3.0565 3.0694 3.1636 3.1895 3.2757 3.3063 3.4361 3.5165 3.5482 3.5797 3.7329 3.7751 3.9250 3.9341 4.0898 4.1033 4.2502 4.3136 4.3308 4.3920 4.4539 4.5040 4.5422 4.5471 4.6042 4.6575 4.7628 4.7787 4.8774 4.9628 4.9863 4.9971 5.0440 5.0933 5.3376 5.3546 5.6748 5.6774 6.0422 6.0576 6.2192 6.2201 8.2517 8.3574 8.4891 8.5082 8.6620 8.6942 8.7495 8.9009 8.9115 9.0309 9.6698 9.6989 11.8915 11.9237 k = 0.1750 0.1750-0.0000 ( 6485 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7318 -25.7318 -25.7315 -25.7315 -7.0484 -7.0478 -6.2245 -6.2098 -6.1460 -6.1457 -6.0994 -6.0854 1.1257 1.1468 1.1824 1.2012 1.5674 1.5737 2.4790 2.4856 2.7239 2.7306 2.7732 2.7792 3.0861 3.0934 3.1838 3.2095 3.2840 3.3124 3.4642 3.5454 3.5582 3.5897 3.7394 3.7786 3.9178 3.9255 4.0685 4.0818 4.2619 4.3183 4.3384 4.4065 4.4589 4.5069 4.5528 4.5552 4.6002 4.6524 4.7508 4.7670 4.8895 4.9752 4.9827 5.0007 5.0439 5.0960 5.3122 5.3294 5.7188 5.7235 6.0656 6.0816 6.2244 6.2247 8.2423 8.3457 8.4822 8.4949 8.6442 8.6793 8.7269 8.8738 8.8797 8.9936 9.5783 9.6067 11.8872 11.9226 k = 0.1625 0.1625-0.0000 ( 6493 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7317 -25.7317 -25.7315 -25.7315 -7.0643 -7.0638 -6.2161 -6.2032 -6.1371 -6.1368 -6.0962 -6.0841 1.1065 1.1257 1.1563 1.1738 1.5443 1.5496 2.5087 2.5145 2.7222 2.7285 2.7681 2.7742 3.1140 3.1163 3.2037 3.2286 3.2927 3.3183 3.4920 3.5688 3.5731 3.6000 3.7450 3.7808 3.9103 3.9166 4.0471 4.0598 4.2742 4.3231 4.3469 4.4214 4.4643 4.5082 4.5629 4.5639 4.5978 4.6480 4.7384 4.7557 4.9019 4.9777 4.9885 5.0045 5.0448 5.0996 5.2882 5.3054 5.7645 5.7709 6.0878 6.1041 6.2283 6.2285 8.2349 8.3349 8.4755 8.4825 8.6250 8.6622 8.7066 8.8477 8.8492 8.9570 9.4866 9.5143 11.8834 11.9193 k = 0.1500 0.1500-0.0000 ( 6501 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7317 -25.7317 -25.7314 -25.7314 -7.0792 -7.0788 -6.2080 -6.1971 -6.1287 -6.1282 -6.0932 -6.0830 1.0882 1.1056 1.1314 1.1476 1.5225 1.5267 2.5367 2.5420 2.7207 2.7266 2.7632 2.7692 3.1381 3.1395 3.2231 3.2467 3.3019 3.3239 3.5190 3.5800 3.5989 3.6109 3.7496 3.7820 3.9022 3.9075 4.0255 4.0377 4.2868 4.3280 4.3567 4.4364 4.4700 4.5081 4.5702 4.5751 4.5970 4.6443 4.7258 4.7448 4.9139 4.9736 5.0004 5.0088 5.0470 5.1038 5.2657 5.2828 5.8114 5.8190 6.1085 6.1247 6.2310 6.2318 8.2297 8.3252 8.4690 8.4708 8.6046 8.6429 8.6892 8.8201 8.8225 8.9215 9.3952 9.4220 11.8807 11.9154 k = 0.1375 0.1375-0.0000 ( 6491 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7316 -25.7316 -25.7314 -25.7314 -7.0931 -7.0928 -6.2006 -6.1914 -6.1206 -6.1201 -6.0904 -6.0820 1.0710 1.0866 1.1079 1.1229 1.5020 1.5054 2.5629 2.5676 2.7194 2.7249 2.7586 2.7644 3.1584 3.1626 3.2420 3.2640 3.3115 3.3294 3.5451 3.5922 3.6183 3.6269 3.7536 3.7825 3.8938 3.8985 4.0039 4.0155 4.2991 4.3332 4.3675 4.4509 4.4761 4.5070 4.5769 4.5856 4.5982 4.6416 4.7136 4.7344 4.9248 4.9693 5.0120 5.0140 5.0507 5.1089 5.2448 5.2615 5.8592 5.8676 6.1276 6.1434 6.2327 6.2340 8.2271 8.3172 8.4597 8.4628 8.5835 8.6221 8.6746 8.7924 8.7980 8.8876 9.3047 9.3303 11.8793 11.9123 k = 0.1250 0.1250-0.0000 ( 6495 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7316 -25.7316 -25.7314 -25.7314 -7.1059 -7.1057 -6.1936 -6.1863 -6.1130 -6.1124 -6.0877 -6.0811 1.0549 1.0689 1.0860 1.0996 1.4830 1.4856 2.5871 2.5913 2.7183 2.7235 2.7544 2.7598 3.1771 3.1828 3.2602 3.2804 3.3212 3.3346 3.5698 3.6054 3.6303 3.6489 3.7570 3.7822 3.8849 3.8893 3.9823 3.9934 4.3108 4.3383 4.3795 4.4643 4.4825 4.5051 4.5832 4.5936 4.6025 4.6396 4.7016 4.7244 4.9338 4.9651 5.0207 5.0231 5.0557 5.1145 5.2257 5.2419 5.9071 5.9160 6.1451 6.1600 6.2337 6.2355 8.2273 8.3112 8.4491 8.4569 8.5621 8.6008 8.6622 8.7662 8.7740 8.8555 9.2155 9.2397 11.8792 11.9107 k = 0.1125 0.1125-0.0000 ( 6501 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7315 -25.7315 -25.7314 -25.7314 -7.1177 -7.1175 -6.1874 -6.1817 -6.1060 -6.1054 -6.0851 -6.0802 1.0401 1.0525 1.0657 1.0780 1.4654 1.4674 2.6091 2.6127 2.7176 2.7224 2.7505 2.7556 3.1940 3.2001 3.2775 3.2960 3.3306 3.3397 3.5928 3.6201 3.6418 3.6700 3.7599 3.7813 3.8756 3.8803 3.9608 3.9715 4.3218 4.3433 4.3924 4.4757 4.4894 4.5027 4.5889 4.5978 4.6107 4.6385 4.6903 4.7148 4.9403 4.9612 5.0290 5.0333 5.0619 5.1205 5.2085 5.2239 5.9548 5.9637 6.1607 6.1743 6.2342 6.2364 8.2304 8.3075 8.4390 8.4514 8.5409 8.5800 8.6517 8.7416 8.7503 8.8256 9.1284 9.1507 11.8802 11.9106 k = 0.1000 0.1000-0.0000 ( 6495 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7315 -25.7315 -25.7314 -25.7314 -7.1283 -7.1281 -6.1818 -6.1775 -6.0996 -6.0989 -6.0828 -6.0793 1.0267 1.0375 1.0473 1.0583 1.4495 1.4509 2.6286 2.6317 2.7174 2.7217 2.7471 2.7518 3.2090 3.2147 3.2939 3.3108 3.3396 3.3446 3.6139 3.6362 3.6536 3.6894 3.7624 3.7801 3.8659 3.8713 3.9395 3.9499 4.3319 4.3482 4.4060 4.4848 4.4968 4.5002 4.5943 4.6009 4.6196 4.6382 4.6796 4.7056 4.9443 4.9575 5.0385 5.0426 5.0695 5.1268 5.1933 5.2078 6.0012 6.0099 6.1744 6.1864 6.2342 6.2369 8.2368 8.3065 8.4294 8.4464 8.5204 8.5603 8.6427 8.7190 8.7269 8.7981 9.0443 9.0642 11.8818 11.9120 k = 0.0875 0.0875-0.0000 ( 6505 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7315 -25.7315 -25.7314 -25.7314 -7.1377 -7.1376 -6.1769 -6.1739 -6.0937 -6.0931 -6.0806 -6.0783 1.0148 1.0241 1.0308 1.0404 1.4352 1.4362 2.6454 2.6479 2.7179 2.7217 2.7441 2.7483 3.2221 3.2267 3.3092 3.3245 3.3476 3.3493 3.6333 3.6534 3.6658 3.7071 3.7647 3.7784 3.8559 3.8625 3.9184 3.9287 4.3411 4.3529 4.4198 4.4916 4.4979 4.5037 4.5994 4.6039 4.6278 4.6385 4.6699 4.6968 4.9462 4.9542 5.0478 5.0506 5.0788 5.1332 5.1803 5.1937 6.0456 6.0537 6.1860 6.1962 6.2340 6.2372 8.2468 8.3084 8.4207 8.4419 8.5009 8.5419 8.6351 8.6987 8.7036 8.7730 8.9642 8.9808 11.8828 11.9074 k = 0.0750 0.0750-0.0000 ( 6509 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7313 -25.7313 -7.1459 -7.1459 -6.1727 -6.1708 -6.0886 -6.0880 -6.0788 -6.0774 1.0043 1.0122 1.0164 1.0247 1.4227 1.4233 2.6591 2.6611 2.7194 2.7225 2.7416 2.7452 3.2331 3.2365 3.3232 3.3369 3.3537 3.3546 3.6517 3.6711 3.6784 3.7230 3.7669 3.7765 3.8457 3.8538 3.8976 3.9082 4.3492 4.3573 4.4335 4.4961 4.4967 4.5094 4.6041 4.6068 4.6348 4.6395 4.6615 4.6884 4.9467 4.9512 5.0556 5.0571 5.0899 5.1394 5.1697 5.1818 6.0872 6.0943 6.1956 6.2036 6.2341 6.2377 8.2604 8.3134 8.4132 8.4379 8.4834 8.5252 8.6280 8.6799 8.6813 8.7503 8.8895 8.9017 11.8815 11.8964 k = 0.0625 0.0625-0.0000 ( 6511 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7313 -25.7313 -7.1529 -7.1529 -6.1693 -6.1681 -6.0841 -6.0836 -6.0771 -6.0765 0.9955 1.0020 1.0041 1.0110 1.4120 1.4123 2.6696 2.6709 2.7220 2.7244 2.7396 2.7426 3.2422 3.2444 3.3357 3.3477 3.3579 3.3603 3.6696 3.6885 3.6913 3.7372 3.7689 3.7743 3.8353 3.8454 3.8772 3.8883 4.3563 4.3614 4.4469 4.4949 4.5004 4.5131 4.6082 4.6095 4.6407 4.6409 4.6548 4.6804 4.9462 4.9486 5.0613 5.0620 5.1023 5.1450 5.1614 5.1720 6.1246 6.1304 6.2029 6.2087 6.2348 6.2386 8.2776 8.3212 8.4080 8.4340 8.4687 8.5101 8.6201 8.6551 8.6675 8.7301 8.8223 8.8285 11.8765 11.8849 k = 0.0500 0.0500-0.0000 ( 6505 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7313 -25.7313 -7.1587 -7.1587 -6.1665 -6.1659 -6.0805 -6.0800 -6.0758 -6.0756 0.9883 0.9935 0.9941 0.9996 1.4031 1.4033 2.6769 2.6776 2.7256 2.7272 2.7380 2.7405 3.2494 3.2506 3.3466 3.3567 3.3616 3.3648 3.6875 3.7045 3.7051 3.7494 3.7708 3.7718 3.8251 3.8373 3.8574 3.8693 4.3622 4.3650 4.4596 4.4946 4.5026 4.5147 4.6116 4.6119 4.6428 4.6452 4.6500 4.6729 4.9454 4.9465 5.0652 5.0654 5.1148 5.1495 5.1556 5.1645 6.1568 6.1611 6.2080 6.2117 6.2367 6.2402 8.2981 8.3311 8.4064 8.4299 8.4583 8.4967 8.6089 8.6275 8.6583 8.7121 8.7639 8.7655 11.8695 11.8739 k = 0.0375 0.0375-0.0000 ( 6509 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7313 -25.7313 -25.7313 -25.7313 -7.1632 -7.1632 -6.1645 -6.1642 -6.0775 -6.0772 -6.0749 -6.0748 0.9828 0.9864 0.9867 0.9905 1.3962 1.3962 2.6814 2.6818 2.7294 2.7304 2.7369 2.7388 3.2548 3.2553 3.3557 3.3635 3.3649 3.3681 3.7053 3.7174 3.7207 3.7593 3.7689 3.7725 3.8157 3.8294 3.8389 3.8514 4.3667 4.3680 4.4715 4.4951 4.5035 4.5141 4.6139 4.6139 4.6449 4.6473 4.6484 4.6660 4.9443 4.9448 5.0674 5.0675 5.1265 5.1519 5.1527 5.1588 6.1826 6.1851 6.2110 6.2133 6.2398 6.2423 8.3204 8.3413 8.4107 8.4266 8.4532 8.4848 8.5898 8.5949 8.6543 8.6963 8.7131 8.7223 11.8624 11.8644 k = 0.0250 0.0250-0.0000 ( 6517 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7313 -25.7313 -7.1664 -7.1664 -6.1631 -6.1630 -6.0754 -6.0752 -6.0743 -6.0741 0.9791 0.9810 0.9816 0.9837 1.3911 1.3912 2.6840 2.6841 2.7328 2.7334 2.7362 2.7375 3.2585 3.2586 3.3627 3.3675 3.3680 3.3702 3.7226 3.7296 3.7353 3.7655 3.7656 3.7733 3.8084 3.8219 3.8228 3.8352 4.3699 4.3703 4.4823 4.4963 4.5032 4.5114 4.6154 4.6154 4.6465 4.6472 4.6502 4.6598 4.9434 4.9436 5.0686 5.0686 5.1366 5.1500 5.1538 5.1550 6.2007 6.2016 6.2126 6.2139 6.2440 6.2450 8.3409 8.3495 8.4233 8.4288 8.4524 8.4747 8.5579 8.5594 8.6547 8.6815 8.6825 8.6936 11.8565 11.8572 k = 0.0125 0.0125-0.0000 ( 6481 PWs) bands (ev): -61.4568 -61.4568 -34.3794 -34.3794 -25.7313 -25.7313 -25.7312 -25.7312 -7.1683 -7.1683 -6.1622 -6.1622 -6.0741 -6.0740 -6.0738 -6.0737 0.9772 0.9780 0.9785 0.9793 1.3882 1.3882 2.6853 2.6854 2.7352 2.7354 2.7360 2.7366 3.2607 3.2607 3.3677 3.3695 3.3702 3.3711 3.7379 3.7399 3.7489 3.7620 3.7656 3.7707 3.8064 3.8128 3.8155 3.8215 4.3719 4.3720 4.4919 4.4981 4.5020 4.5067 4.6164 4.6164 4.6478 4.6492 4.6510 4.6546 4.9429 4.9429 5.0692 5.0692 5.1446 5.1496 5.1519 5.1535 6.2108 6.2108 6.2134 6.2140 6.2477 6.2478 8.3534 8.3547 8.4427 8.4437 8.4548 8.4662 8.5211 8.5225 8.6586 8.6678 8.6715 8.6764 11.8526 11.8527 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.4568 -61.4568 -34.3794 -34.3794 -25.7312 -25.7312 -25.7312 -25.7312 -7.1690 -7.1690 -6.1619 -6.1619 -6.0736 -6.0736 -6.0736 -6.0736 0.9772 0.9772 0.9772 0.9772 1.3872 1.3872 2.6858 2.6858 2.7361 2.7361 2.7361 2.7361 3.2614 3.2614 3.3705 3.3705 3.3705 3.3705 3.7452 3.7452 3.7615 3.7615 3.7615 3.7615 3.8113 3.8113 3.8113 3.8113 4.3726 4.3726 4.5002 4.5002 4.5002 4.5002 4.6168 4.6168 4.6506 4.6506 4.6506 4.6506 4.9427 4.9427 5.0694 5.0694 5.1503 5.1503 5.1503 5.1503 6.2138 6.2138 6.2138 6.2138 6.2492 6.2492 8.3567 8.3567 8.4594 8.4594 8.4594 8.4594 8.4987 8.4987 8.6657 8.6657 8.6657 8.6657 11.8512 11.8512 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.4568 -61.4568 -34.3794 -34.3794 -25.7312 -25.7312 -25.7312 -25.7312 -7.1690 -7.1690 -6.1619 -6.1619 -6.0736 -6.0736 -6.0736 -6.0736 0.9772 0.9772 0.9772 0.9772 1.3872 1.3872 2.6858 2.6858 2.7361 2.7361 2.7361 2.7361 3.2614 3.2614 3.3705 3.3705 3.3705 3.3705 3.7452 3.7452 3.7615 3.7615 3.7615 3.7615 3.8113 3.8113 3.8113 3.8113 4.3726 4.3726 4.5002 4.5002 4.5002 4.5002 4.6168 4.6168 4.6506 4.6506 4.6506 4.6506 4.9427 4.9427 5.0694 5.0694 5.1503 5.1503 5.1503 5.1503 6.2138 6.2138 6.2138 6.2138 6.2492 6.2492 8.3567 8.3567 8.4594 8.4594 8.4594 8.4594 8.4987 8.4987 8.6657 8.6657 8.6657 8.6657 11.8512 11.8512 k = 0.0104 0.0104 0.0104 ( 6490 PWs) bands (ev): -61.4568 -61.4568 -34.3794 -34.3794 -25.7313 -25.7313 -25.7313 -25.7313 -7.1683 -7.1683 -6.1622 -6.1622 -6.0740 -6.0739 -6.0739 -6.0738 0.9772 0.9782 0.9782 0.9794 1.3882 1.3882 2.6853 2.6853 2.7353 2.7353 2.7359 2.7366 3.2606 3.2606 3.3676 3.3699 3.3699 3.3710 3.7390 3.7390 3.7478 3.7640 3.7640 3.7707 3.8068 3.8142 3.8142 3.8216 4.3719 4.3719 4.4914 4.5001 4.5001 4.5070 4.6163 4.6163 4.6477 4.6500 4.6500 4.6549 4.9429 4.9429 5.0692 5.0692 5.1442 5.1509 5.1509 5.1535 6.2106 6.2106 6.2135 6.2141 6.2477 6.2477 8.3539 8.3539 8.4429 8.4429 8.4539 8.4667 8.5225 8.5225 8.6582 8.6701 8.6701 8.6764 11.8527 11.8527 k = 0.0208 0.0208 0.0208 ( 6511 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7313 -25.7313 -25.7313 -25.7313 -7.1663 -7.1663 -6.1630 -6.1630 -6.0750 -6.0748 -6.0748 -6.0746 0.9794 0.9815 0.9815 0.9838 1.3913 1.3913 2.6840 2.6840 2.7332 2.7332 2.7359 2.7374 3.2585 3.2585 3.3625 3.3681 3.3681 3.3692 3.7269 3.7269 3.7331 3.7653 3.7653 3.7700 3.8134 3.8225 3.8225 3.8344 4.3701 4.3701 4.4812 4.4999 4.4999 4.5118 4.6153 4.6153 4.6468 4.6483 4.6483 4.6606 4.9435 4.9435 5.0686 5.0686 5.1353 5.1530 5.1530 5.1540 6.1998 6.1998 6.2132 6.2144 6.2445 6.2445 8.3446 8.3446 8.4264 8.4264 8.4502 8.4756 8.5599 8.5599 8.6541 8.6853 8.6853 8.6903 11.8570 11.8570 k = 0.0312 0.0312 0.0312 ( 6517 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7313 -25.7313 -25.7313 -25.7313 -7.1629 -7.1629 -6.1644 -6.1644 -6.0765 -6.0763 -6.0763 -6.0759 0.9838 0.9868 0.9868 0.9904 1.3966 1.3966 2.6815 2.6815 2.7300 2.7300 2.7364 2.7385 3.2548 3.2548 3.3554 3.3649 3.3651 3.3651 3.7131 3.7131 3.7187 3.7628 3.7628 3.7631 3.8275 3.8347 3.8347 3.8488 4.3672 4.3672 4.4698 4.4996 4.4996 4.5144 4.6137 4.6137 4.6458 4.6458 4.6480 4.6672 4.9446 4.9446 5.0672 5.0672 5.1239 5.1519 5.1571 5.1571 6.1803 6.1803 6.2129 6.2146 6.2414 6.2414 8.3294 8.3294 8.4213 8.4213 8.4485 8.4857 8.5931 8.5931 8.6537 8.7071 8.7165 8.7165 11.8637 11.8637 k = 0.0417 0.0417 0.0417 ( 6511 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7313 -25.7313 -7.1582 -7.1582 -6.1663 -6.1663 -6.0785 -6.0784 -6.0784 -6.0777 0.9904 0.9943 0.9943 0.9993 1.4038 1.4038 2.6772 2.6772 2.7265 2.7265 2.7371 2.7399 3.2498 3.2498 3.3463 3.3582 3.3611 3.3611 3.6988 3.6988 3.7049 3.7548 3.7571 3.7571 3.8441 3.8492 3.8492 3.8642 4.3633 4.3633 4.4574 4.4991 4.4991 4.5148 4.6113 4.6113 4.6428 4.6428 4.6514 4.6746 4.9460 4.9460 5.0648 5.0648 5.1102 5.1475 5.1638 5.1638 6.1522 6.1522 6.2124 6.2146 6.2387 6.2387 8.3123 8.3123 8.4249 8.4249 8.4484 8.4967 8.6174 8.6174 8.6572 8.7268 8.7658 8.7658 11.8718 11.8718 k = 0.0521 0.0521 0.0521 ( 6505 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7314 -25.7314 -7.1522 -7.1522 -6.1687 -6.1687 -6.0810 -6.0810 -6.0810 -6.0801 0.9990 1.0038 1.0038 1.0102 1.4131 1.4131 2.6703 2.6703 2.7234 2.7234 2.7382 2.7416 3.2432 3.2432 3.3353 3.3489 3.3561 3.3561 3.6843 3.6843 3.6920 3.7465 3.7486 3.7486 3.8616 3.8650 3.8650 3.8805 4.3584 4.3584 4.4442 4.4982 4.4982 4.5131 4.6078 4.6078 4.6396 4.6396 4.6566 4.6826 4.9476 4.9476 5.0611 5.0611 5.0945 5.1412 5.1735 5.1735 6.1166 6.1166 6.2117 6.2142 6.2361 6.2361 8.2971 8.2971 8.4336 8.4336 8.4500 8.5081 8.6359 8.6359 8.6647 8.7492 8.8290 8.8290 11.8805 11.8805 k = 0.0625 0.0625 0.0625 ( 6508 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7314 -25.7314 -7.1449 -7.1449 -6.1716 -6.1716 -6.0841 -6.0841 -6.0841 -6.0830 1.0097 1.0153 1.0153 1.0232 1.4243 1.4243 2.6603 2.6603 2.7211 2.7211 2.7396 2.7436 3.2351 3.2351 3.3226 3.3371 3.3500 3.3500 3.6698 3.6698 3.6800 3.7377 3.7377 3.7385 3.8796 3.8814 3.8814 3.8975 4.3528 4.3528 4.4302 4.4967 4.4967 4.5096 4.6030 4.6030 4.6370 4.6370 4.6635 4.6910 4.9491 4.9491 5.0563 5.0563 5.0772 5.1332 5.1863 5.1863 6.0747 6.0747 6.2106 6.2134 6.2334 6.2334 8.2850 8.2850 8.4453 8.4453 8.4530 8.5195 8.6527 8.6527 8.6764 8.7740 8.9009 8.9009 11.8890 11.8890 k = 0.0729 0.0729 0.0729 ( 6508 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7314 -25.7314 -25.7314 -25.7314 -7.1363 -7.1363 -6.1750 -6.1750 -6.0878 -6.0878 -6.0877 -6.0863 1.0224 1.0286 1.0286 1.0382 1.4373 1.4373 2.6470 2.6470 2.7200 2.7200 2.7413 2.7459 3.2254 3.2254 3.3083 3.3229 3.3431 3.3431 3.6552 3.6552 3.6690 3.7248 3.7248 3.7309 3.8978 3.8980 3.8980 3.9153 4.3465 4.3465 4.4157 4.4946 4.4946 4.5047 4.5968 4.5968 4.6352 4.6352 4.6716 4.6996 4.9506 4.9506 5.0508 5.0508 5.0590 5.1242 5.2023 5.2023 6.0277 6.0277 6.2090 6.2120 6.2302 6.2302 8.2768 8.2768 8.4572 8.4589 8.4589 8.5305 8.6700 8.6700 8.6921 8.8010 8.9784 8.9784 11.8969 11.8969 k = 0.0833 0.0833 0.0833 ( 6502 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7314 -25.7314 -25.7314 -25.7314 -7.1265 -7.1265 -6.1789 -6.1789 -6.0920 -6.0920 -6.0917 -6.0902 1.0369 1.0438 1.0438 1.0551 1.4521 1.4521 2.6306 2.6306 2.7200 2.7200 2.7433 2.7484 3.2142 3.2142 3.2925 3.3064 3.3354 3.3354 3.6404 3.6404 3.6589 3.7102 3.7102 3.7238 3.9148 3.9148 3.9160 3.9337 4.3397 4.3397 4.4008 4.4917 4.4917 4.4987 4.5894 4.5894 4.6347 4.6347 4.6805 4.7084 4.9518 4.9518 5.0402 5.0449 5.0449 5.1144 5.2213 5.2213 5.9768 5.9768 6.2067 6.2099 6.2264 6.2264 8.2723 8.2723 8.4624 8.4736 8.4736 8.5412 8.6888 8.6888 8.7115 8.8300 9.0595 9.0595 11.9038 11.9038 k = 0.0938 0.0937 0.0937 ( 6487 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7315 -25.7315 -25.7314 -25.7314 -7.1154 -7.1154 -6.1832 -6.1832 -6.0967 -6.0967 -6.0963 -6.0946 1.0531 1.0606 1.0606 1.0738 1.4684 1.4684 2.6113 2.6113 2.7208 2.7208 2.7457 2.7512 3.2014 3.2014 3.2754 3.2878 3.3270 3.3270 3.6251 3.6251 3.6498 3.6942 3.6942 3.7170 3.9315 3.9315 3.9341 3.9525 4.3325 4.3325 4.3856 4.4880 4.4880 4.4921 4.5810 4.5810 4.6352 4.6352 4.6900 4.7173 4.9527 4.9527 5.0214 5.0392 5.0392 5.1044 5.2431 5.2431 5.9228 5.9228 6.2037 6.2069 6.2219 6.2219 8.2715 8.2715 8.4684 8.4890 8.4890 8.5516 8.7096 8.7096 8.7340 8.8607 9.1425 9.1425 11.9094 11.9094 k = 0.1042 0.1042 0.1042 ( 6493 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7315 -25.7315 -25.7315 -25.7315 -7.1031 -7.1031 -6.1880 -6.1880 -6.1018 -6.1018 -6.1012 -6.0994 1.0710 1.0790 1.0790 1.0942 1.4863 1.4863 2.5894 2.5894 2.7222 2.7222 2.7484 2.7542 3.1871 3.1871 3.2572 3.2674 3.3180 3.3180 3.6087 3.6087 3.6414 3.6774 3.6774 3.7104 3.9480 3.9480 3.9521 3.9718 4.3251 4.3251 4.3701 4.4834 4.4834 4.4848 4.5722 4.5722 4.6368 4.6368 4.6998 4.7262 4.9532 4.9532 5.0030 5.0340 5.0340 5.0944 5.2674 5.2674 5.8666 5.8666 6.1999 6.2030 6.2165 6.2165 8.2742 8.2742 8.4750 8.5044 8.5044 8.5618 8.7327 8.7327 8.7592 8.8928 9.2262 9.2262 11.9133 11.9133 k = 0.1146 0.1146 0.1146 ( 6505 PWs) bands (ev): -61.4569 -61.4569 -34.3795 -34.3795 -25.7316 -25.7316 -25.7315 -25.7315 -7.0897 -7.0897 -6.1931 -6.1931 -6.1074 -6.1074 -6.1065 -6.1046 1.0904 1.0987 1.0987 1.1162 1.5054 1.5054 2.5651 2.5651 2.7241 2.7241 2.7514 2.7573 3.1714 3.1714 3.2379 3.2453 3.3087 3.3087 3.5907 3.5907 3.6338 3.6606 3.6606 3.7040 3.9640 3.9640 3.9697 3.9913 4.3177 4.3177 4.3547 4.4773 4.4778 4.4778 4.5632 4.5632 4.6394 4.6394 4.7097 4.7350 4.9533 4.9533 4.9855 5.0294 5.0294 5.0848 5.2940 5.2940 5.8091 5.8091 6.1952 6.1981 6.2103 6.2103 8.2802 8.2802 8.4820 8.5198 8.5198 8.5720 8.7579 8.7579 8.7863 8.9261 9.3095 9.3095 11.9152 11.9152 k = 0.1250 0.1250 0.1250 ( 6493 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7316 -25.7316 -25.7316 -25.7316 -7.0752 -7.0752 -6.1986 -6.1986 -6.1133 -6.1133 -6.1123 -6.1101 1.1111 1.1198 1.1198 1.1395 1.5258 1.5258 2.5386 2.5386 2.7263 2.7263 2.7546 2.7606 3.1545 3.1545 3.2178 3.2219 3.2990 3.2990 3.5703 3.5703 3.6266 3.6444 3.6444 3.6977 3.9796 3.9796 3.9871 4.0110 4.3105 4.3105 4.3395 4.4698 4.4714 4.4714 4.5547 4.5547 4.6428 4.6428 4.7194 4.7438 4.9532 4.9532 4.9695 5.0257 5.0257 5.0761 5.3229 5.3229 5.7508 5.7508 6.1897 6.1923 6.2033 6.2033 8.2894 8.2894 8.4893 8.5350 8.5350 8.5822 8.7853 8.7853 8.8151 8.9603 9.3912 9.3912 11.9149 11.9149 k = 0.1354 0.1354 0.1354 ( 6496 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7316 -25.7316 -25.7316 -25.7316 -7.0596 -7.0596 -6.2045 -6.2045 -6.1196 -6.1196 -6.1183 -6.1161 1.1329 1.1418 1.1418 1.1641 1.5470 1.5470 2.5101 2.5101 2.7289 2.7289 2.7582 2.7641 3.1366 3.1366 3.1971 3.1975 3.2889 3.2889 3.5472 3.5472 3.6199 3.6294 3.6294 3.6913 3.9945 3.9945 4.0039 4.0307 4.3036 4.3036 4.3247 4.4625 4.4643 4.4643 4.5466 4.5466 4.6471 4.6471 4.7288 4.7525 4.9529 4.9529 4.9552 5.0227 5.0227 5.0682 5.3537 5.3537 5.6924 5.6924 6.1833 6.1855 6.1955 6.1955 8.3014 8.3014 8.4966 8.5500 8.5500 8.5924 8.8144 8.8144 8.8449 8.9951 9.4702 9.4702 11.9125 11.9125 k = 0.1458 0.1458 0.1458 ( 6499 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7317 -25.7317 -25.7317 -25.7317 -7.0430 -7.0430 -6.2107 -6.2107 -6.1262 -6.1262 -6.1247 -6.1224 1.1558 1.1648 1.1648 1.1898 1.5689 1.5689 2.4797 2.4797 2.7316 2.7316 2.7620 2.7675 3.1179 3.1179 3.1725 3.1761 3.2787 3.2787 3.5213 3.5213 3.6135 3.6157 3.6157 3.6848 4.0085 4.0085 4.0201 4.0502 4.2972 4.2972 4.3106 4.4556 4.4567 4.4567 4.5393 4.5393 4.6522 4.6522 4.7375 4.7610 4.9431 4.9526 4.9526 5.0202 5.0202 5.0614 5.3863 5.3863 5.6344 5.6344 6.1760 6.1778 6.1869 6.1869 8.3161 8.3161 8.5038 8.5648 8.5648 8.6027 8.8452 8.8452 8.8755 9.0303 9.5457 9.5457 11.9084 11.9084 k = 0.1562 0.1562 0.1562 ( 6496 PWs) bands (ev): -61.4568 -61.4568 -34.3795 -34.3795 -25.7317 -25.7317 -25.7317 -25.7317 -7.0254 -7.0254 -6.2171 -6.2171 -6.1332 -6.1332 -6.1314 -6.1289 1.1794 1.1883 1.1883 1.2163 1.5911 1.5911 2.4479 2.4479 2.7346 2.7346 2.7661 2.7710 3.0987 3.0987 3.1471 3.1548 3.2683 3.2683 3.4931 3.4931 3.6032 3.6032 3.6072 3.6781 4.0215 4.0215 4.0356 4.0692 4.2914 4.2914 4.2975 4.4490 4.4490 4.4493 4.5327 4.5327 4.6579 4.6579 4.7454 4.7694 4.9335 4.9525 4.9525 5.0181 5.0181 5.0559 5.4205 5.4205 5.5773 5.5773 6.1681 6.1693 6.1777 6.1777 8.3331 8.3331 8.5108 8.5796 8.5796 8.6129 8.8772 8.8772 8.9068 9.0658 9.6168 9.6168 11.9032 11.9032 k = 0.1667 0.1667 0.1667 ( 6490 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7318 -25.7318 -25.7318 -25.7318 -7.0069 -7.0069 -6.2238 -6.2238 -6.1403 -6.1403 -6.1383 -6.1357 1.2037 1.2123 1.2123 1.2434 1.6135 1.6135 2.4146 2.4146 2.7377 2.7377 2.7705 2.7743 3.0793 3.0793 3.1219 3.1336 3.2577 3.2577 3.4631 3.4631 3.5917 3.5917 3.6010 3.6711 4.0334 4.0334 4.0503 4.0875 4.2858 4.2864 4.2864 4.4413 4.4413 4.4439 4.5268 4.5268 4.6644 4.6644 4.7521 4.7776 4.9267 4.9527 4.9527 5.0161 5.0161 5.0517 5.4559 5.4559 5.5218 5.5218 6.1596 6.1602 6.1679 6.1679 8.3521 8.3521 8.5176 8.5946 8.5946 8.6230 8.9104 8.9104 8.9384 9.1014 9.6827 9.6827 11.8977 11.8977 k = 0.1771 0.1771 0.1771 ( 6496 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7319 -25.7319 -25.7318 -25.7318 -6.9876 -6.9876 -6.2307 -6.2307 -6.1477 -6.1477 -6.1454 -6.1428 1.2282 1.2364 1.2364 1.2710 1.6355 1.6355 2.3803 2.3803 2.7409 2.7409 2.7750 2.7775 3.0601 3.0601 3.0971 3.1126 3.2468 3.2468 3.4319 3.4319 3.5808 3.5808 3.5947 3.6638 4.0441 4.0441 4.0642 4.1046 4.2759 4.2822 4.2822 4.4340 4.4340 4.4395 4.5216 4.5216 4.6716 4.6716 4.7573 4.7856 4.9230 4.9532 4.9532 5.0140 5.0140 5.0487 5.4647 5.4647 5.4959 5.4959 6.1505 6.1506 6.1577 6.1577 8.3727 8.3727 8.5239 8.6100 8.6100 8.6329 8.9444 8.9444 8.9703 9.1370 9.7431 9.7431 11.8923 11.8923 k = 0.1875 0.1875 0.1875 ( 6487 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7319 -25.7319 -25.7319 -25.7319 -6.9675 -6.9675 -6.2378 -6.2378 -6.1553 -6.1553 -6.1527 -6.1500 1.2529 1.2605 1.2605 1.2987 1.6569 1.6569 2.3451 2.3451 2.7440 2.7440 2.7798 2.7803 3.0414 3.0414 3.0734 3.0923 3.2358 3.2358 3.4002 3.4002 3.5704 3.5704 3.5884 3.6561 4.0535 4.0535 4.0772 4.1200 4.2684 4.2788 4.2788 4.4273 4.4273 4.4364 4.5170 4.5170 4.6793 4.6793 4.7610 4.7934 4.9225 4.9538 4.9538 5.0116 5.0116 5.0471 5.4138 5.4138 5.5330 5.5330 6.1404 6.1413 6.1472 6.1472 8.3944 8.3944 8.5298 8.6261 8.6261 8.6424 8.9790 8.9790 9.0024 9.1724 9.7975 9.7975 11.8872 11.8872 k = 0.1979 0.1979 0.1979 ( 6487 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7320 -25.7320 -25.7319 -25.7319 -6.9466 -6.9466 -6.2450 -6.2450 -6.1630 -6.1630 -6.1602 -6.1574 1.2775 1.2841 1.2841 1.3263 1.6771 1.6771 2.3095 2.3095 2.7472 2.7472 2.7825 2.7847 3.0237 3.0237 3.0511 3.0728 3.2244 3.2244 3.3686 3.3686 3.5603 3.5603 3.5819 3.6479 4.0617 4.0617 4.0894 4.1329 4.2641 4.2764 4.2764 4.4213 4.4213 4.4345 4.5129 4.5129 4.6877 4.6877 4.7631 4.8009 4.9249 4.9544 4.9544 5.0090 5.0090 5.0468 5.3641 5.3641 5.5724 5.5724 6.1303 6.1319 6.1367 6.1367 8.4167 8.4167 8.5352 8.6434 8.6434 8.6515 9.0140 9.0140 9.0346 9.2076 9.8458 9.8458 11.8827 11.8827 k = 0.2083 0.2083 0.2083 ( 6493 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7320 -25.7320 -25.7320 -25.7320 -6.9252 -6.9252 -6.2524 -6.2524 -6.1708 -6.1708 -6.1678 -6.1649 1.3017 1.3072 1.3072 1.3534 1.6956 1.6956 2.2736 2.2736 2.7502 2.7502 2.7841 2.7896 3.0074 3.0074 3.0307 3.0545 3.2125 3.2125 3.3380 3.3380 3.5503 3.5503 3.5751 3.6392 4.0687 4.0687 4.1007 4.1429 4.2634 4.2747 4.2747 4.4162 4.4162 4.4338 4.5092 4.5092 4.6964 4.6964 4.7639 4.8082 4.9301 4.9545 4.9545 5.0062 5.0062 5.0477 5.3171 5.3171 5.6129 5.6129 6.1202 6.1226 6.1262 6.1262 8.4390 8.4390 8.5400 8.6600 8.6621 8.6621 9.0493 9.0493 9.0669 9.2425 9.8882 9.8882 11.8786 11.8786 k = 0.2188 0.2187 0.2187 ( 6493 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7321 -25.7321 -25.7321 -25.7321 -6.9032 -6.9032 -6.2598 -6.2598 -6.1786 -6.1786 -6.1754 -6.1725 1.3253 1.3292 1.3292 1.3799 1.7118 1.7118 2.2380 2.2380 2.7531 2.7531 2.7848 2.7947 2.9927 2.9927 3.0128 3.0376 3.2000 3.2000 3.3089 3.3089 3.5405 3.5405 3.5682 3.6301 4.0746 4.0746 4.1113 4.1496 4.2667 4.2738 4.2738 4.4118 4.4118 4.4344 4.5059 4.5059 4.7055 4.7055 4.7634 4.8151 4.9375 4.9533 4.9533 5.0036 5.0036 5.0496 5.2733 5.2733 5.6542 5.6542 6.1105 6.1137 6.1162 6.1162 8.4606 8.4606 8.5442 8.6679 8.6828 8.6828 9.0846 9.0846 9.0993 9.2771 9.9250 9.9250 11.8623 11.8748 k = 0.2292 0.2292 0.2292 ( 6487 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7321 -25.7321 -25.7321 -25.7321 -6.8807 -6.8807 -6.2672 -6.2672 -6.1865 -6.1865 -6.1831 -6.1802 1.3480 1.3501 1.3501 1.4054 1.7252 1.7252 2.2029 2.2029 2.7560 2.7560 2.7845 2.7997 2.9801 2.9801 2.9978 3.0224 3.1867 3.1867 3.2823 3.2823 3.5306 3.5306 3.5609 3.6205 4.0796 4.0796 4.1214 4.1533 4.2735 4.2735 4.2736 4.4083 4.4083 4.4361 4.5030 4.5030 4.7148 4.7148 4.7620 4.8215 4.9467 4.9496 4.9496 5.0018 5.0018 5.0526 5.2335 5.2335 5.6963 5.6963 6.1015 6.1056 6.1068 6.1068 8.4810 8.4810 8.5480 8.6751 8.7057 8.7057 9.1199 9.1199 9.1318 9.3111 9.9566 9.9566 11.8288 11.8548 k = 0.2396 0.2396 0.2396 ( 6481 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7322 -25.7322 -25.7322 -25.7322 -6.8578 -6.8578 -6.2747 -6.2747 -6.1944 -6.1944 -6.1907 -6.1879 1.3695 1.3695 1.3696 1.4296 1.7350 1.7350 2.1687 2.1687 2.7589 2.7589 2.7833 2.8047 2.9697 2.9697 2.9860 3.0093 3.1727 3.1727 3.2587 3.2587 3.5208 3.5208 3.5534 3.6104 4.0840 4.0840 4.1310 4.1551 4.2737 4.2737 4.2831 4.4054 4.4054 4.4387 4.5003 4.5003 4.7241 4.7241 4.7598 4.8274 4.9422 4.9422 4.9573 5.0016 5.0016 5.0565 5.1980 5.1980 5.7390 5.7390 6.0936 6.0984 6.0984 6.0984 8.4998 8.4998 8.5512 8.6816 8.7310 8.7310 9.1549 9.1549 9.1642 9.3446 9.9839 9.9839 11.7895 11.8203 k = 0.2500 0.2500 0.2500 ( 6493 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7323 -25.7323 -25.7323 -25.7323 -6.8346 -6.8346 -6.2822 -6.2822 -6.2022 -6.2022 -6.1984 -6.1955 1.3872 1.3872 1.3898 1.4523 1.7407 1.7407 2.1359 2.1359 2.7618 2.7618 2.7812 2.8097 2.9618 2.9618 2.9775 2.9983 3.1583 3.1583 3.2383 3.2383 3.5109 3.5109 3.5456 3.6000 4.0878 4.0878 4.1403 4.1557 4.2743 4.2743 4.2942 4.4030 4.4030 4.4421 4.4980 4.4980 4.7331 4.7331 4.7572 4.8326 4.9306 4.9306 4.9686 5.0027 5.0027 5.0609 5.1674 5.1674 5.7820 5.7820 6.0871 6.0913 6.0913 6.0927 8.5166 8.5166 8.5539 8.6873 8.7585 8.7585 9.1894 9.1894 9.1964 9.3773 10.0075 10.0075 11.7444 11.7800 k = 0.2604 0.2604 0.2604 ( 6487 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7323 -25.7323 -25.7323 -25.7323 -6.8113 -6.8113 -6.2896 -6.2896 -6.2099 -6.2099 -6.2060 -6.2031 1.4029 1.4029 1.4086 1.4730 1.7419 1.7419 2.1045 2.1045 2.7650 2.7650 2.7786 2.8145 2.9563 2.9563 2.9723 2.9898 3.1440 3.1440 3.2212 3.2212 3.5010 3.5010 3.5376 3.5891 4.0914 4.0914 4.1497 4.1562 4.2753 4.2753 4.3062 4.4012 4.4012 4.4460 4.4958 4.4958 4.7418 4.7418 4.7540 4.8372 4.9149 4.9149 4.9803 5.0048 5.0048 5.0658 5.1419 5.1419 5.8254 5.8254 6.0824 6.0859 6.0859 6.0887 8.5316 8.5316 8.5562 8.6923 8.7881 8.7881 9.2233 9.2233 9.2283 9.4090 10.0282 10.0282 11.6931 11.7336 k = 0.2708 0.2708 0.2708 ( 6478 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7324 -25.7324 -25.7324 -25.7324 -6.7878 -6.7878 -6.2969 -6.2969 -6.2175 -6.2175 -6.2135 -6.2107 1.4165 1.4165 1.4256 1.4917 1.7383 1.7383 2.0747 2.0747 2.7686 2.7686 2.7760 2.8194 2.9532 2.9532 2.9700 2.9837 3.1310 3.1310 3.2068 3.2068 3.4910 3.4910 3.5293 3.5780 4.0948 4.0948 4.1569 4.1591 4.2767 4.2767 4.3185 4.3997 4.3997 4.4504 4.4939 4.4939 4.7499 4.7499 4.7506 4.8409 4.8959 4.8959 4.9919 5.0070 5.0070 5.0707 5.1215 5.1215 5.8689 5.8689 6.0798 6.0824 6.0824 6.0869 8.5448 8.5448 8.5583 8.6965 8.8193 8.8193 9.2562 9.2562 9.2598 9.4397 10.0469 10.0469 11.6358 11.6810 k = 0.2812 0.2812 0.2812 ( 6475 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7325 -25.7324 -25.7324 -25.7324 -6.7643 -6.7643 -6.3041 -6.3041 -6.2250 -6.2250 -6.2209 -6.2181 1.4279 1.4279 1.4408 1.5081 1.7300 1.7300 2.0464 2.0464 2.7730 2.7730 2.7740 2.8242 2.9525 2.9525 2.9703 2.9801 3.1202 3.1202 3.1946 3.1946 3.4811 3.4811 3.5207 3.5666 4.0981 4.0981 4.1582 4.1687 4.2782 4.2782 4.3306 4.3984 4.3984 4.4549 4.4921 4.4921 4.7468 4.7573 4.7573 4.8439 4.8746 4.8746 5.0029 5.0082 5.0082 5.0753 5.1061 5.1061 5.9123 5.9123 6.0798 6.0813 6.0813 6.0877 8.5564 8.5564 8.5600 8.7001 8.8515 8.8515 9.2878 9.2878 9.2905 9.4689 10.0642 10.0642 11.5726 11.6222 k = 0.2917 0.2917 0.2917 ( 6475 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7325 -25.7325 -25.7325 -25.7325 -6.7409 -6.7409 -6.3112 -6.3112 -6.2323 -6.2323 -6.2281 -6.2254 1.4369 1.4369 1.4542 1.5220 1.7174 1.7174 2.0192 2.0192 2.7730 2.7782 2.7782 2.8292 2.9538 2.9538 2.9727 2.9789 3.1122 3.1122 3.1840 3.1840 3.4711 3.4711 3.5121 3.5550 4.1014 4.1014 4.1604 4.1787 4.2801 4.2801 4.3424 4.3971 4.3971 4.4594 4.4905 4.4905 4.7428 4.7637 4.7637 4.8460 4.8521 4.8521 5.0077 5.0077 5.0129 5.0792 5.0951 5.0951 5.9554 5.9554 6.0827 6.0830 6.0830 6.0913 8.5617 8.5667 8.5667 8.7031 8.8842 8.8842 9.3179 9.3179 9.3202 9.4965 10.0811 10.0811 11.5040 11.5575 k = 0.3021 0.3021 0.3021 ( 6475 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7326 -25.7326 -25.7325 -25.7325 -6.7177 -6.7177 -6.3182 -6.3182 -6.2394 -6.2394 -6.2352 -6.2325 1.4437 1.4437 1.4655 1.5335 1.7012 1.7012 1.9925 1.9925 2.7735 2.7845 2.7845 2.8344 2.9571 2.9571 2.9767 2.9798 3.1077 3.1077 3.1747 3.1747 3.4612 3.4612 3.5032 3.5433 4.1048 4.1048 4.1635 4.1891 4.2822 4.2822 4.3536 4.3958 4.3958 4.4639 4.4889 4.4889 4.7385 4.7691 4.7691 4.8295 4.8295 4.8473 5.0048 5.0048 5.0216 5.0821 5.0880 5.0880 5.9981 5.9981 6.0878 6.0878 6.0889 6.0982 8.5633 8.5760 8.5760 8.7056 8.9169 8.9169 9.3462 9.3462 9.3486 9.5219 10.0981 10.0981 11.4306 11.4875 k = 0.3125 0.3125 0.3125 ( 6469 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7326 -25.7326 -25.7326 -25.7326 -6.6948 -6.6948 -6.3249 -6.3249 -6.2462 -6.2462 -6.2421 -6.2394 1.4481 1.4481 1.4749 1.5424 1.6822 1.6822 1.9659 1.9659 2.7757 2.7918 2.7918 2.8401 2.9620 2.9620 2.9821 2.9827 3.1066 3.1066 3.1667 3.1667 3.4514 3.4514 3.4943 3.5315 4.1083 4.1083 4.1677 4.2000 4.2846 4.2846 4.3643 4.3944 4.3944 4.4682 4.4874 4.4874 4.7339 4.7728 4.7728 4.8082 4.8082 4.8477 4.9995 4.9995 5.0287 5.0835 5.0837 5.0837 6.0400 6.0400 6.0961 6.0961 6.0986 6.1085 8.5650 8.5844 8.5844 8.7078 8.9491 8.9491 9.3722 9.3722 9.3751 9.5449 10.1158 10.1158 11.3534 11.4130 k = 0.3229 0.3229 0.3229 ( 6464 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7327 -25.7327 -25.7326 -25.7326 -6.6724 -6.6724 -6.3315 -6.3315 -6.2528 -6.2528 -6.2487 -6.2461 1.4503 1.4503 1.4825 1.5488 1.6615 1.6615 1.9388 1.9388 2.7798 2.8003 2.8003 2.8462 2.9682 2.9682 2.9872 2.9886 3.1087 3.1087 3.1601 3.1601 3.4416 3.4416 3.4854 3.5197 4.1118 4.1118 4.1729 4.2115 4.2873 4.2873 4.3744 4.3929 4.3929 4.4722 4.4859 4.4859 4.7291 4.7718 4.7718 4.7919 4.7919 4.8474 4.9921 4.9921 5.0339 5.0811 5.0811 5.0834 6.0798 6.0798 6.1092 6.1092 6.1119 6.1224 8.5670 8.5923 8.5923 8.7096 8.9802 8.9802 9.3954 9.3954 9.3994 9.5649 10.1346 10.1346 11.2734 11.3351 k = 0.3333 0.3333 0.3333 ( 6455 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7327 -25.7327 -25.7327 -25.7327 -6.6504 -6.6504 -6.3379 -6.3379 -6.2591 -6.2591 -6.2550 -6.2526 1.4504 1.4504 1.4883 1.5529 1.6399 1.6399 1.9110 1.9110 2.7858 2.8098 2.8098 2.8530 2.9756 2.9756 2.9931 2.9958 3.1130 3.1130 3.1553 3.1553 3.4320 3.4320 3.4764 3.5079 4.1154 4.1154 4.1793 4.2234 4.2903 4.2903 4.3839 4.3911 4.3911 4.4760 4.4844 4.4844 4.7242 4.7595 4.7595 4.7876 4.7876 4.8464 4.9832 4.9832 5.0370 5.0789 5.0789 5.0813 6.1122 6.1122 6.1288 6.1323 6.1323 6.1400 8.5693 8.5998 8.5998 8.7113 9.0100 9.0100 9.4155 9.4155 9.4209 9.5814 10.1549 10.1549 11.1919 11.2553 k = 0.3438 0.3437 0.3437 ( 6461 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7328 -25.7328 -25.7327 -25.7327 -6.6291 -6.6291 -6.3440 -6.3440 -6.2650 -6.2650 -6.2611 -6.2588 1.4485 1.4485 1.4924 1.5548 1.6181 1.6181 1.8824 1.8824 2.7936 2.8202 2.8202 2.8603 2.9840 2.9840 3.0000 3.0035 3.1177 3.1177 3.1538 3.1538 3.4226 3.4226 3.4675 3.4963 4.1188 4.1188 4.1867 4.2359 4.2936 4.2936 4.3891 4.3891 4.3927 4.4792 4.4826 4.4826 4.7191 4.7433 4.7433 4.7884 4.7884 4.8446 4.9733 4.9733 5.0380 5.0762 5.0762 5.0772 6.1348 6.1348 6.1494 6.1610 6.1676 6.1676 8.5721 8.6071 8.6071 8.7130 9.0382 9.0382 9.4318 9.4318 9.4389 9.5938 10.1769 10.1769 11.1105 11.1750 k = 0.3542 0.3542 0.3542 ( 6470 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7328 -25.7328 -25.7328 -25.7328 -6.6085 -6.6085 -6.3498 -6.3498 -6.2707 -6.2707 -6.2669 -6.2647 1.4449 1.4449 1.4952 1.5548 1.5969 1.5969 1.8530 1.8530 2.8029 2.8313 2.8313 2.8682 2.9930 2.9930 3.0077 3.0116 3.1199 3.1199 3.1580 3.1580 3.4135 3.4135 3.4587 3.4849 4.1222 4.1222 4.1952 4.2489 4.2972 4.2972 4.3869 4.3869 4.4009 4.4808 4.4808 4.4820 4.7139 4.7282 4.7282 4.7897 4.7897 4.8421 4.9626 4.9626 5.0370 5.0711 5.0725 5.0725 6.1572 6.1572 6.1732 6.1853 6.2051 6.2051 8.5756 8.6144 8.6144 8.7148 9.0644 9.0644 9.4439 9.4439 9.4528 9.6015 10.2008 10.2008 11.0306 11.0957 k = 0.3646 0.3646 0.3646 ( 6470 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7329 -25.7329 -25.7329 -25.7329 -6.5888 -6.5888 -6.3554 -6.3554 -6.2759 -6.2759 -6.2724 -6.2703 1.4398 1.4398 1.4966 1.5532 1.5769 1.5769 1.8232 1.8232 2.8136 2.8429 2.8429 2.8765 3.0025 3.0025 3.0159 3.0198 3.1189 3.1189 3.1681 3.1681 3.4048 3.4048 3.4502 3.4738 4.1253 4.1253 4.2047 4.2623 4.3012 4.3012 4.3844 4.3844 4.4084 4.4788 4.4788 4.4843 4.7088 4.7151 4.7151 4.7907 4.7907 4.8389 4.9516 4.9516 5.0340 5.0631 5.0676 5.0676 6.1817 6.1817 6.2001 6.2125 6.2420 6.2420 8.5799 8.6219 8.6219 8.7168 9.0886 9.0886 9.4513 9.4513 9.4619 9.6038 10.2265 10.2265 10.9538 11.0177 k = 0.3750 0.3750 0.3750 ( 6470 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7329 -25.7329 -25.7329 -25.7329 -6.5700 -6.5700 -6.3607 -6.3607 -6.2808 -6.2808 -6.2775 -6.2756 1.4334 1.4334 1.4971 1.5501 1.5584 1.5584 1.7930 1.7930 2.8254 2.8548 2.8548 2.8851 3.0123 3.0123 3.0244 3.0280 3.1160 3.1160 3.1819 3.1819 3.3967 3.3967 3.4419 3.4630 4.1282 4.1282 4.2152 4.2760 4.3056 4.3056 4.3817 4.3817 4.4154 4.4767 4.4767 4.4860 4.7039 4.7042 4.7042 4.7911 4.7911 4.8352 4.9404 4.9404 5.0293 5.0535 5.0611 5.0611 6.2084 6.2084 6.2295 6.2420 6.2775 6.2775 8.5851 8.6297 8.6297 8.7193 9.1107 9.1107 9.4535 9.4535 9.4656 9.6002 10.2540 10.2540 10.8817 10.9440 k = 0.3854 0.3854 0.3854 ( 6464 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7330 -25.7330 -25.7330 -25.7330 -6.5522 -6.5522 -6.3658 -6.3658 -6.2853 -6.2853 -6.2823 -6.2805 1.4259 1.4259 1.4967 1.5419 1.5419 1.5460 1.7630 1.7630 2.8379 2.8668 2.8668 2.8939 3.0222 3.0222 3.0329 3.0361 3.1124 3.1124 3.1976 3.1976 3.3892 3.3892 3.4339 3.4526 4.1307 4.1307 4.2266 4.2898 4.3103 4.3103 4.3789 4.3789 4.4218 4.4745 4.4745 4.4870 4.6958 4.6958 4.6994 4.7910 4.7910 4.8308 4.9295 4.9295 5.0231 5.0426 5.0533 5.0533 6.2369 6.2369 6.2608 6.2734 6.3113 6.3113 8.5916 8.6379 8.6379 8.7222 9.1306 9.1306 9.4502 9.4502 9.4633 9.5902 10.2832 10.2832 10.8156 10.8758 k = 0.3958 0.3958 0.3958 ( 6470 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7330 -25.7330 -25.7330 -25.7330 -6.5356 -6.5356 -6.3705 -6.3705 -6.2894 -6.2894 -6.2867 -6.2850 1.4176 1.4176 1.4958 1.5275 1.5275 1.5410 1.7334 1.7334 2.8509 2.8785 2.8785 2.9027 3.0321 3.0321 3.0412 3.0438 3.1088 3.1088 3.2137 3.2137 3.3827 3.3827 3.4263 3.4428 4.1328 4.1328 4.2388 4.3036 4.3151 4.3151 4.3760 4.3760 4.4276 4.4721 4.4721 4.4873 4.6896 4.6896 4.6953 4.7900 4.7900 4.8257 4.9190 4.9190 5.0157 5.0306 5.0442 5.0442 6.2666 6.2666 6.2934 6.3058 6.3432 6.3432 8.5993 8.6467 8.6467 8.7258 9.1483 9.1483 9.4412 9.4412 9.4548 9.5738 10.3138 10.3138 10.7568 10.8142 k = 0.4062 0.4062 0.4062 ( 6485 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7331 -25.7331 -25.7331 -25.7331 -6.5201 -6.5201 -6.3750 -6.3750 -6.2931 -6.2931 -6.2907 -6.2892 1.4090 1.4090 1.4945 1.5153 1.5153 1.5355 1.7045 1.7045 2.8641 2.8899 2.8899 2.9112 3.0416 3.0416 3.0491 3.0511 3.1054 3.1054 3.2294 3.2294 3.3774 3.3774 3.4192 3.4335 4.1343 4.1343 4.2517 4.3172 4.3202 4.3202 4.3732 4.3732 4.4328 4.4698 4.4698 4.4868 4.6856 4.6856 4.6920 4.7882 4.7882 4.8198 4.9093 4.9093 5.0076 5.0180 5.0340 5.0340 6.2966 6.2966 6.3265 6.3386 6.3731 6.3731 8.6084 8.6561 8.6561 8.7300 9.1636 9.1636 9.4268 9.4268 9.4402 9.5511 10.3455 10.3455 10.7059 10.7598 k = 0.4167 0.4167 0.4167 ( 6485 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7331 -25.7331 -25.7331 -25.7331 -6.5060 -6.5060 -6.3792 -6.3792 -6.2964 -6.2964 -6.2944 -6.2930 1.4004 1.4004 1.4930 1.5054 1.5054 1.5296 1.6767 1.6767 2.8772 2.9007 2.9007 2.9194 3.0508 3.0508 3.0564 3.0578 3.1022 3.1022 3.2438 3.2438 3.3736 3.3736 3.4127 3.4249 4.1355 4.1355 4.2652 4.3252 4.3252 4.3303 4.3706 4.3706 4.4374 4.4675 4.4675 4.4854 4.6837 4.6837 4.6898 4.7852 4.7852 4.8132 4.9010 4.9010 4.9990 5.0053 5.0229 5.0229 6.3262 6.3262 6.3593 6.3710 6.4009 6.4009 8.6191 8.6663 8.6663 8.7347 9.1767 9.1767 9.4077 9.4077 9.4202 9.5228 10.3779 10.3779 10.6635 10.7130 k = 0.4271 0.4271 0.4271 ( 6482 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7331 -25.7331 -25.7331 -25.7331 -6.4932 -6.4932 -6.3830 -6.3830 -6.2992 -6.2992 -6.2976 -6.2964 1.3921 1.3921 1.4915 1.4977 1.4977 1.5237 1.6504 1.6504 2.8898 2.9108 2.9108 2.9270 3.0592 3.0592 3.0629 3.0639 3.0995 3.0995 3.2559 3.2559 3.3718 3.3718 3.4068 3.4171 4.1362 4.1362 4.2792 4.3301 4.3301 4.3426 4.3684 4.3684 4.4415 4.4654 4.4654 4.4831 4.6837 4.6837 4.6888 4.7810 4.7810 4.8056 4.8944 4.8944 4.9902 4.9931 5.0113 5.0113 6.3546 6.3546 6.3911 6.4020 6.4262 6.4262 8.6313 8.6771 8.6771 8.7399 9.1872 9.1872 9.3849 9.3849 9.3958 9.4900 10.4105 10.4105 10.6294 10.6739 k = 0.4375 0.4375 0.4375 ( 6494 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4818 -6.4818 -6.3866 -6.3866 -6.3016 -6.3016 -6.3004 -6.2993 1.3844 1.3844 1.4902 1.4921 1.4921 1.5178 1.6258 1.6258 2.9018 2.9199 2.9199 2.9338 3.0668 3.0668 3.0687 3.0692 3.0973 3.0973 3.2653 3.2653 3.3721 3.3721 3.4016 3.4101 4.1365 4.1365 4.2934 4.3345 4.3345 4.3536 4.3666 4.3666 4.4449 4.4634 4.4634 4.4798 4.6853 4.6853 4.6893 4.7753 4.7753 4.7970 4.8898 4.8898 4.9817 4.9818 4.9995 4.9995 6.3808 6.3808 6.4211 6.4310 6.4491 6.4491 8.6452 8.6885 8.6885 8.7451 9.1950 9.1950 9.3602 9.3602 9.3689 9.4541 10.4426 10.4426 10.6030 10.6420 k = 0.4479 0.4479 0.4479 ( 6500 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4719 -6.4719 -6.3898 -6.3898 -6.3036 -6.3036 -6.3027 -6.3018 1.3776 1.3776 1.4886 1.4886 1.4892 1.5123 1.6033 1.6033 2.9129 2.9279 2.9279 2.9396 3.0731 3.0731 3.0735 3.0736 3.0957 3.0957 3.2718 3.2718 3.3742 3.3742 3.3972 3.4040 4.1365 4.1365 4.3077 4.3383 4.3383 4.3629 4.3655 4.3655 4.4479 4.4617 4.4617 4.4759 4.6885 4.6885 4.6916 4.7684 4.7684 4.7874 4.8873 4.8873 4.9717 4.9737 4.9878 4.9878 6.4042 6.4042 6.4483 6.4570 6.4693 6.4693 8.6604 8.7002 8.7002 8.7499 9.1996 9.1996 9.3359 9.3359 9.3416 9.4170 10.4734 10.4734 10.5836 10.6169 k = 0.4583 0.4583 0.4583 ( 6494 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4635 -6.4635 -6.3927 -6.3927 -6.3052 -6.3052 -6.3047 -6.3039 1.3719 1.3719 1.4872 1.4872 1.4886 1.5071 1.5831 1.5831 2.9228 2.9347 2.9347 2.9442 3.0773 3.0774 3.0781 3.0781 3.0948 3.0948 3.2758 3.2758 3.3778 3.3778 3.3936 3.3988 4.1363 4.1363 4.3217 4.3411 4.3411 4.3653 4.3653 4.3701 4.4504 4.4602 4.4602 4.4715 4.6930 4.6930 4.6958 4.7604 4.7604 4.7768 4.8868 4.8868 4.9635 4.9665 4.9766 4.9766 6.4240 6.4240 6.4720 6.4793 6.4865 6.4865 8.6767 8.7116 8.7116 8.7534 9.2004 9.2004 9.3144 9.3144 9.3163 9.3805 10.5018 10.5018 10.5704 10.5976 k = 0.4688 0.4687 0.4687 ( 6485 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4567 -6.4567 -6.3952 -6.3952 -6.3064 -6.3064 -6.3061 -6.3056 1.3674 1.3674 1.4875 1.4875 1.4885 1.5024 1.5656 1.5656 2.9314 2.9402 2.9402 2.9475 3.0802 3.0803 3.0814 3.0814 3.0949 3.0949 3.2779 3.2779 3.3817 3.3817 3.3909 3.3947 4.1360 4.1360 4.3352 4.3430 4.3430 4.3657 4.3657 4.3745 4.4524 4.4590 4.4590 4.4670 4.6986 4.6986 4.7020 4.7517 4.7517 4.7655 4.8877 4.8877 4.9571 4.9603 4.9665 4.9665 6.4398 6.4398 6.4916 6.4972 6.5006 6.5006 8.6936 8.7220 8.7220 8.7548 9.1972 9.1972 9.2955 9.2982 9.2982 9.3467 10.5263 10.5263 10.5622 10.5836 k = 0.4792 0.4792 0.4792 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4517 -6.4517 -6.3972 -6.3972 -6.3072 -6.3072 -6.3072 -6.3068 1.3642 1.3642 1.4891 1.4892 1.4892 1.4984 1.5516 1.5516 2.9385 2.9442 2.9442 2.9492 3.0822 3.0823 3.0831 3.0831 3.0957 3.0957 3.2789 3.2789 3.3852 3.3852 3.3891 3.3916 4.1357 4.1357 4.3439 4.3439 4.3477 4.3664 4.3664 4.3756 4.4540 4.4581 4.4581 4.4630 4.7051 4.7051 4.7099 4.7428 4.7428 4.7536 4.8895 4.8895 4.9528 4.9555 4.9582 4.9582 6.4512 6.4512 6.5063 6.5102 6.5110 6.5110 8.7101 8.7305 8.7305 8.7531 9.1915 9.1915 9.2818 9.2880 9.2880 9.3177 10.5455 10.5455 10.5584 10.5742 k = 0.4896 0.4896 0.4896 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4486 -6.4486 -6.3985 -6.3985 -6.3078 -6.3077 -6.3077 -6.3076 1.3622 1.3622 1.4904 1.4913 1.4913 1.4950 1.5419 1.5419 2.9438 2.9466 2.9466 2.9492 3.0834 3.0835 3.0837 3.0837 3.0965 3.0965 3.2792 3.2792 3.3875 3.3875 3.3882 3.3894 4.1355 4.1355 4.3444 4.3444 4.3586 4.3670 4.3670 4.3731 4.4555 4.4575 4.4575 4.4597 4.7118 4.7118 4.7194 4.7346 4.7346 4.7417 4.8913 4.8913 4.9506 4.9521 4.9525 4.9525 6.4580 6.4580 6.5157 6.5174 6.5174 6.5177 8.7254 8.7362 8.7362 8.7476 9.1862 9.1862 9.2768 9.2829 9.2829 9.2953 10.5575 10.5575 10.5582 10.5673 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4475 -6.4475 -6.3989 -6.3989 -6.3079 -6.3079 -6.3079 -6.3079 1.3616 1.3616 1.4923 1.4923 1.4923 1.4923 1.5384 1.5384 2.9474 2.9474 2.9474 2.9474 3.0839 3.0839 3.0839 3.0839 3.0969 3.0969 3.2793 3.2793 3.3883 3.3883 3.3883 3.3883 4.1354 4.1354 4.3445 4.3445 4.3673 4.3673 4.3673 4.3673 4.4573 4.4573 4.4573 4.4573 4.7157 4.7157 4.7301 4.7301 4.7301 4.7301 4.8921 4.8921 4.9504 4.9504 4.9504 4.9504 6.4603 6.4603 6.5196 6.5196 6.5196 6.5196 8.7382 8.7382 8.7382 8.7382 9.1840 9.1840 9.2813 9.2813 9.2813 9.2813 10.5612 10.5612 10.5612 10.5612 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4475 -6.4475 -6.3989 -6.3989 -6.3079 -6.3079 -6.3079 -6.3079 1.3616 1.3616 1.4923 1.4923 1.4923 1.4923 1.5384 1.5384 2.9474 2.9474 2.9474 2.9474 3.0839 3.0839 3.0839 3.0839 3.0969 3.0969 3.2793 3.2793 3.3883 3.3883 3.3883 3.3883 4.1354 4.1354 4.3445 4.3445 4.3673 4.3673 4.3673 4.3673 4.4573 4.4573 4.4573 4.4573 4.7157 4.7157 4.7301 4.7301 4.7301 4.7301 4.8921 4.8921 4.9504 4.9504 4.9504 4.9504 6.4603 6.4603 6.5196 6.5196 6.5196 6.5196 8.7382 8.7382 8.7382 8.7382 9.1840 9.1840 9.2813 9.2813 9.2813 9.2813 10.5612 10.5612 10.5612 10.5612 k = 0.4875 0.5000 0.4875 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4486 -6.4485 -6.3985 -6.3985 -6.3079 -6.3078 -6.3077 -6.3075 1.3622 1.3622 1.4901 1.4912 1.4919 1.4949 1.5418 1.5418 2.9440 2.9459 2.9473 2.9491 3.0832 3.0833 3.0838 3.0840 3.0965 3.0966 3.2792 3.2792 3.3874 3.3878 3.3882 3.3893 4.1355 4.1355 4.3444 4.3444 4.3591 4.3651 4.3688 4.3729 4.4556 4.4570 4.4580 4.4596 4.7112 4.7123 4.7204 4.7319 4.7366 4.7413 4.8913 4.8914 4.9506 4.9518 4.9523 4.9528 6.4581 6.4581 6.5158 6.5173 6.5174 6.5182 8.7259 8.7336 8.7390 8.7472 9.1860 9.1863 9.2768 9.2808 9.2852 9.2945 10.5564 10.5583 10.5601 10.5654 k = 0.4750 0.5000 0.4750 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4516 -6.4514 -6.3975 -6.3971 -6.3078 -6.3073 -6.3068 -6.3066 1.3640 1.3641 1.4870 1.4902 1.4905 1.4983 1.5509 1.5512 2.9389 2.9429 2.9456 2.9491 3.0810 3.0818 3.0835 3.0843 3.0953 3.0964 3.2785 3.2792 3.3848 3.3862 3.3889 3.3911 4.1357 4.1357 4.3439 4.3439 4.3488 4.3626 4.3691 4.3761 4.4539 4.4573 4.4588 4.4629 4.7023 4.7065 4.7130 4.7379 4.7464 4.7530 4.8894 4.8900 4.9524 4.9546 4.9582 4.9585 6.4514 6.4515 6.5063 6.5094 6.5114 6.5130 8.7103 8.7263 8.7354 8.7534 9.1903 9.1929 9.2806 9.2853 9.2911 9.3158 10.5446 10.5533 10.5578 10.5658 k = 0.4625 0.5000 0.4625 ( 6486 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4565 -6.4560 -6.3961 -6.3949 -6.3078 -6.3066 -6.3053 -6.3051 1.3669 1.3674 1.4840 1.4886 1.4909 1.5026 1.5640 1.5650 2.9323 2.9385 2.9424 2.9474 3.0769 3.0790 3.0824 3.0845 3.0939 3.0970 3.2769 3.2793 3.3806 3.3839 3.3905 3.3937 4.1359 4.1361 4.3364 4.3431 4.3438 4.3599 4.3675 4.3777 4.4521 4.4579 4.4596 4.4671 4.6929 4.7004 4.7079 4.7448 4.7573 4.7644 4.8871 4.8888 4.9560 4.9588 4.9666 4.9670 6.4400 6.4403 6.4915 6.4962 6.5020 6.5044 8.6923 8.7172 8.7277 8.7572 9.1942 9.2033 9.2902 9.2980 9.2982 9.3441 10.5278 10.5401 10.5592 10.5672 k = 0.4500 0.5000 0.4500 ( 6500 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4630 -6.4620 -6.3946 -6.3919 -6.3079 -6.3055 -6.3032 -6.3031 1.3709 1.3720 1.4820 1.4882 1.4924 1.5079 1.5803 1.5821 2.9242 2.9327 2.9378 2.9443 3.0708 3.0748 3.0802 3.0836 3.0932 3.0988 3.2736 3.2792 3.3748 3.3817 3.3931 3.3970 4.1362 4.1364 4.3234 4.3417 4.3424 4.3575 4.3632 4.3789 4.4501 4.4587 4.4604 4.4717 4.6840 4.6944 4.7047 4.7518 4.7687 4.7752 4.8854 4.8885 4.9615 4.9643 4.9759 4.9778 6.4239 6.4246 6.4720 6.4781 6.4896 6.4927 8.6731 8.7069 8.7171 8.7589 9.1957 9.2167 9.3037 9.3058 9.3196 9.3776 10.5081 10.5226 10.5623 10.5702 k = 0.4375 0.5000 0.4375 ( 6492 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4708 -6.4693 -6.3933 -6.3885 -6.3082 -6.3039 -6.3005 -6.3004 1.3759 1.3778 1.4811 1.4893 1.4950 1.5142 1.5991 1.6020 2.9148 2.9257 2.9320 2.9399 3.0630 3.0690 3.0770 3.0813 3.0941 3.1016 3.2679 3.2787 3.3679 3.3803 3.3966 3.4012 4.1363 4.1368 4.3098 4.3396 4.3403 4.3559 4.3566 4.3804 4.4479 4.4597 4.4613 4.4763 4.6763 4.6889 4.7035 4.7587 4.7799 4.7852 4.8847 4.8897 4.9691 4.9711 4.9857 4.9898 6.4030 6.4041 6.4485 6.4561 6.4745 6.4783 8.6536 8.6958 8.7050 8.7587 9.1943 9.2320 9.3131 9.3210 9.3468 9.4142 10.4875 10.5028 10.5673 10.5749 k = 0.4250 0.5000 0.4250 ( 6494 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7331 -25.7331 -6.4799 -6.4778 -6.3921 -6.3846 -6.3087 -6.3018 -6.2971 -6.2971 1.3818 1.3848 1.4816 1.4919 1.4987 1.5216 1.6199 1.6241 2.9043 2.9177 2.9250 2.9343 3.0538 3.0618 3.0728 3.0778 3.0962 3.1051 3.2594 3.2772 3.3604 3.3802 3.4012 3.4061 4.1362 4.1369 4.2960 4.3366 4.3373 4.3484 4.3552 4.3821 4.4455 4.4607 4.4622 4.4804 4.6697 4.6839 4.7041 4.7653 4.7898 4.7952 4.8852 4.8924 4.9788 4.9791 4.9956 5.0026 6.3778 6.3793 6.4221 6.4307 6.4570 6.4614 8.6349 8.6841 8.6924 8.7569 9.1901 9.2483 9.3193 9.3411 9.3761 9.4518 10.4676 10.4827 10.5746 10.5818 k = 0.4125 0.5000 0.4125 ( 6482 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7331 -25.7331 -6.4900 -6.4874 -6.3913 -6.3804 -6.3094 -6.2992 -6.2932 -6.2930 1.3885 1.3927 1.4836 1.4959 1.5037 1.5301 1.6425 1.6484 2.8930 2.9087 2.9170 2.9278 3.0434 3.0532 3.0677 3.0737 3.0990 3.1092 3.2478 3.2738 3.3533 3.3818 3.4067 3.4118 4.1357 4.1366 4.2825 4.3321 4.3336 4.3398 4.3552 4.3842 4.4432 4.4616 4.4631 4.4839 4.6646 4.6796 4.7062 4.7717 4.7972 4.8062 4.8869 4.8966 4.9883 4.9902 5.0050 5.0158 6.3489 6.3506 6.3934 6.4027 6.4371 6.4421 8.6176 8.6721 8.6803 8.7537 9.1831 9.2639 9.3242 9.3628 9.4051 9.4886 10.4498 10.4639 10.5848 10.5913 k = 0.4000 0.5000 0.4000 ( 6490 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7331 -25.7331 -6.5010 -6.4980 -6.3910 -6.3760 -6.3104 -6.2962 -6.2887 -6.2884 1.3959 1.4011 1.4869 1.5013 1.5101 1.5398 1.6665 1.6743 2.8808 2.8989 2.9083 2.9206 3.0322 3.0435 3.0618 3.0690 3.1023 3.1137 3.2332 3.2674 3.3478 3.3851 3.4131 3.4182 4.1345 4.1356 4.2696 4.3247 4.3294 4.3329 4.3556 4.3865 4.4408 4.4625 4.4640 4.4866 4.6610 4.6758 4.7097 4.7776 4.8029 4.8172 4.8894 4.9021 4.9985 5.0027 5.0137 5.0295 6.3171 6.3188 6.3631 6.3726 6.4151 6.4205 8.6018 8.6600 8.6692 8.7492 9.1731 9.2771 9.3278 9.3845 9.4316 9.5230 10.4353 10.4478 10.5985 10.6042 k = 0.3875 0.5000 0.3875 ( 6482 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7330 -25.7330 -6.5128 -6.5094 -6.3911 -6.3716 -6.3113 -6.2926 -6.2836 -6.2831 1.4038 1.4097 1.4920 1.5078 1.5178 1.5507 1.6916 1.7017 2.8681 2.8885 2.8989 2.9127 3.0205 3.0329 3.0554 3.0641 3.1059 3.1185 3.2161 3.2573 3.3448 3.3900 3.4203 3.4253 4.1326 4.1336 4.2578 4.3152 4.3251 4.3278 4.3564 4.3889 4.4386 4.4633 4.4649 4.4885 4.6590 4.6730 4.7144 4.7831 4.8077 4.8278 4.8927 4.9087 5.0093 5.0150 5.0215 5.0443 6.2836 6.2851 6.3316 6.3411 6.3909 6.3966 8.5879 8.6480 8.6594 8.7437 9.1601 9.2851 9.3308 9.4047 9.4543 9.5536 10.4250 10.4355 10.6166 10.6212 k = 0.3750 0.5000 0.3750 ( 6486 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7331 -25.7331 -25.7330 -25.7329 -6.5253 -6.5217 -6.3918 -6.3675 -6.3121 -6.2884 -6.2778 -6.2773 1.4120 1.4178 1.4989 1.5154 1.5268 1.5629 1.7176 1.7303 2.8550 2.8775 2.8889 2.9044 3.0084 3.0215 3.0486 3.0589 3.1098 3.1236 3.1970 3.2434 3.3444 3.3962 3.4283 3.4330 4.1296 4.1303 4.2473 4.3054 4.3207 4.3231 4.3571 4.3915 4.4365 4.4639 4.4656 4.4897 4.6587 4.6710 4.7200 4.7880 4.8119 4.8375 4.8965 4.9160 5.0191 5.0256 5.0298 5.0609 6.2491 6.2503 6.2994 6.3085 6.3645 6.3704 8.5760 8.6363 8.6510 8.7376 9.1440 9.2853 9.3343 9.4219 9.4726 9.5797 10.4193 10.4280 10.6399 10.6432 k = 0.3625 0.5000 0.3625 ( 6486 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3798 -25.7331 -25.7331 -25.7329 -25.7329 -6.5384 -6.5347 -6.3930 -6.3639 -6.3124 -6.2837 -6.2715 -6.2709 1.4202 1.4250 1.5080 1.5239 1.5371 1.5763 1.7440 1.7596 2.8415 2.8663 2.8786 2.8957 2.9962 3.0095 3.0418 3.0534 3.1139 3.1289 3.1766 3.2262 3.3464 3.4035 3.4371 3.4412 4.1254 4.1254 4.2386 4.2962 4.3164 4.3185 4.3578 4.3940 4.4348 4.4644 4.4662 4.4903 4.6601 4.6700 4.7266 4.7922 4.8158 4.8462 4.9008 4.9235 5.0251 5.0336 5.0412 5.0797 6.2147 6.2155 6.2669 6.2753 6.3362 6.3421 8.5659 8.6250 8.6441 8.7308 9.1247 9.2773 9.3377 9.4346 9.4862 9.6006 10.4187 10.4257 10.6689 10.6707 k = 0.3500 0.5000 0.3500 ( 6478 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7331 -25.7331 -25.7328 -25.7328 -6.5520 -6.5483 -6.3948 -6.3613 -6.3118 -6.2785 -6.2646 -6.2640 1.4282 1.4307 1.5194 1.5332 1.5486 1.5909 1.7706 1.7893 2.8280 2.8549 2.8681 2.8868 2.9841 2.9972 3.0351 3.0477 3.1181 3.1345 3.1557 3.2067 3.3502 3.4118 3.4464 3.4500 4.1189 4.1199 4.2317 4.2879 4.3123 4.3142 4.3582 4.3965 4.4337 4.4648 4.4667 4.4903 4.6632 4.6701 4.7340 4.7959 4.8198 4.8534 4.9056 4.9310 5.0272 5.0386 5.0555 5.1004 6.1811 6.1813 6.2343 6.2420 6.3061 6.3118 8.5577 8.6143 8.6384 8.7237 9.1027 9.2622 9.3388 9.4416 9.4955 9.6162 10.4231 10.4288 10.7041 10.7044 k = 0.3375 0.5000 0.3375 ( 6466 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7331 -25.7330 -25.7327 -25.7327 -6.5661 -6.5624 -6.3972 -6.3602 -6.3097 -6.2727 -6.2573 -6.2567 1.4348 1.4357 1.5329 1.5435 1.5613 1.6064 1.7969 1.8190 2.8144 2.8435 2.8574 2.8779 2.9724 2.9846 3.0290 3.0411 3.1217 3.1360 3.1402 3.1854 3.3554 3.4210 3.4564 3.4592 4.1109 4.1131 4.2266 4.2807 4.3083 4.3103 4.3582 4.3988 4.4330 4.4650 4.4669 4.4898 4.6679 4.6714 4.7421 4.7989 4.8239 4.8591 4.9110 4.9380 5.0264 5.0407 5.0714 5.1225 6.1483 6.1487 6.2022 6.2089 6.2744 6.2798 8.5513 8.6043 8.6335 8.7165 9.0785 9.2414 9.3362 9.4424 9.5007 9.6266 10.4323 10.4372 10.7445 10.7456 k = 0.3250 0.5000 0.3250 ( 6464 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7330 -25.7330 -25.7327 -25.7327 -6.5806 -6.5769 -6.4001 -6.3608 -6.3061 -6.2664 -6.2495 -6.2490 1.4373 1.4423 1.5480 1.5547 1.5751 1.6228 1.8227 1.8482 2.8009 2.8323 2.8467 2.8689 2.9610 2.9719 3.0234 3.0328 3.1144 3.1296 3.1459 3.1632 3.3618 3.4310 3.4670 3.4687 4.1016 4.1050 4.2228 4.2746 4.3045 4.3070 4.3576 4.4009 4.4331 4.4651 4.4670 4.4887 4.6738 4.6740 4.7510 4.8013 4.8281 4.8631 4.9170 4.9442 5.0233 5.0398 5.0885 5.1455 6.1167 6.1179 6.1707 6.1764 6.2417 6.2466 8.5463 8.5951 8.6289 8.7094 9.0528 9.2156 9.3293 9.4369 9.5019 9.6320 10.4460 10.4506 10.7910 10.7934 k = 0.3125 0.5000 0.3125 ( 6460 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7330 -25.7330 -25.7326 -25.7326 -6.5953 -6.5917 -6.4035 -6.3630 -6.3009 -6.2597 -6.2413 -6.2408 1.4383 1.4477 1.5644 1.5668 1.5899 1.6397 1.8476 1.8766 2.7878 2.8215 2.8361 2.8601 2.9502 2.9592 3.0186 3.0212 3.1009 3.1339 3.1397 3.1528 3.3690 3.4418 3.4780 3.4786 4.0916 4.0958 4.2202 4.2692 4.3008 4.3046 4.3563 4.4028 4.4340 4.4650 4.4670 4.4872 4.6774 4.6814 4.7607 4.8029 4.8324 4.8655 4.9235 4.9491 5.0181 5.0362 5.1066 5.1690 6.0862 6.0886 6.1403 6.1447 6.2086 6.2127 8.5425 8.5870 8.6236 8.7031 9.0265 9.1859 9.3179 9.4255 9.4994 9.6329 10.4636 10.4684 10.8437 10.8471 k = 0.3000 0.5000 0.3000 ( 6456 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7330 -25.7330 -25.7325 -25.7325 -6.6102 -6.6068 -6.4073 -6.3664 -6.2945 -6.2526 -6.2328 -6.2324 1.4380 1.4517 1.5797 1.5813 1.6057 1.6570 1.8714 1.9038 2.7750 2.8113 2.8257 2.8514 2.9399 2.9466 3.0054 3.0143 3.0925 3.1180 3.1390 3.1587 3.3771 3.4533 3.4889 3.4895 4.0811 4.0857 4.2183 4.2645 4.2973 4.3031 4.3543 4.4043 4.4356 4.4648 4.4668 4.4853 4.6820 4.6899 4.7710 4.8039 4.8369 4.8666 4.9303 4.9523 5.0116 5.0299 5.1255 5.1930 6.0563 6.0601 6.1112 6.1141 6.1761 6.1793 8.5394 8.5803 8.6162 8.6983 9.0007 9.1531 9.3021 9.4088 9.4935 9.6297 10.4846 10.4901 10.9020 10.9060 k = 0.2875 0.5000 0.2875 ( 6456 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7329 -25.7329 -25.7325 -25.7325 -6.6253 -6.6220 -6.4115 -6.3709 -6.2872 -6.2451 -6.2240 -6.2237 1.4363 1.4541 1.5934 1.5985 1.6223 1.6744 1.8937 1.9294 2.7628 2.8018 2.8156 2.8431 2.9301 2.9341 2.9860 3.0094 3.0896 3.0982 3.1444 3.1649 3.3860 3.4655 3.4994 3.5015 4.0705 4.0750 4.2169 4.2602 4.2938 4.3025 4.3515 4.4054 4.4381 4.4644 4.4666 4.4831 4.6876 4.6990 4.7815 4.8044 4.8413 4.8665 4.9375 4.9527 5.0052 5.0214 5.1449 5.2172 6.0258 6.0311 6.0835 6.0850 6.1455 6.1476 8.5363 8.5755 8.6051 8.6960 8.9765 9.1181 9.2823 9.3874 9.4845 9.6230 10.5082 10.5148 10.9652 10.9694 k = 0.2750 0.5000 0.2750 ( 6468 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7329 -25.7329 -25.7324 -25.7324 -6.6403 -6.6373 -6.4161 -6.3761 -6.2792 -6.2374 -6.2150 -6.2147 1.4334 1.4549 1.6076 1.6155 1.6396 1.6916 1.9144 1.9531 2.7514 2.7931 2.8059 2.8351 2.9209 2.9216 2.9650 3.0023 3.0829 3.0911 3.1501 3.1713 3.3958 3.4785 3.5102 3.5140 4.0599 4.0639 4.2157 4.2561 4.2903 4.3029 4.3479 4.4061 4.4413 4.4638 4.4664 4.4808 4.6937 4.7085 4.7906 4.8059 4.8452 4.8659 4.9448 4.9493 5.0005 5.0109 5.1649 5.2413 5.9934 5.9998 6.0575 6.0579 6.1184 6.1195 8.5321 8.5731 8.5892 8.6968 8.9549 9.0819 9.2589 9.3620 9.4728 9.6135 10.5337 10.5418 11.0325 11.0364 k = 0.2625 0.5000 0.2625 ( 6464 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7329 -25.7329 -25.7323 -25.7323 -6.6553 -6.6525 -6.4208 -6.3819 -6.2706 -6.2295 -6.2057 -6.2056 1.4293 1.4540 1.6223 1.6322 1.6572 1.7083 1.9334 1.9747 2.7409 2.7853 2.7967 2.8275 2.9086 2.9122 2.9441 2.9908 3.0746 3.0959 3.1560 3.1777 3.4063 3.4922 3.5212 3.5270 4.0496 4.0527 4.2147 4.2523 4.2868 4.3042 4.3438 4.4063 4.4451 4.4631 4.4662 4.4786 4.7003 4.7182 4.7941 4.8122 4.8479 4.8658 4.9412 4.9520 4.9992 4.9994 5.1852 5.2653 5.9579 5.9645 6.0333 6.0334 6.0960 6.0960 8.5262 8.5682 8.5735 8.7007 8.9369 9.0457 9.2325 9.3333 9.4589 9.6015 10.5604 10.5703 11.1030 11.1061 k = 0.2500 0.5000 0.2500 ( 6456 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7329 -25.7329 -25.7322 -25.7322 -6.6702 -6.6676 -6.4258 -6.3880 -6.2617 -6.2214 -6.1964 -6.1964 1.4240 1.4513 1.6371 1.6483 1.6748 1.7244 1.9505 1.9941 2.7314 2.7786 2.7880 2.8205 2.8943 2.9041 2.9253 2.9746 3.0740 3.1033 3.1621 3.1842 3.4178 3.5067 3.5326 3.5405 4.0398 4.0415 4.2138 4.2486 4.2834 4.3060 4.3392 4.4059 4.4494 4.4622 4.4660 4.4766 4.7068 4.7274 4.7927 4.8223 4.8479 4.8677 4.9296 4.9580 4.9885 5.0013 5.2058 5.2889 5.9191 5.9249 6.0112 6.0116 6.0778 6.0785 8.5182 8.5426 8.5765 8.7071 8.9228 9.0105 9.2036 9.3018 9.4434 9.5876 10.5876 10.5995 11.1757 11.1774 k = 0.2375 0.5000 0.2375 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7328 -25.7328 -25.7322 -25.7322 -6.6849 -6.6825 -6.4309 -6.3945 -6.2526 -6.2133 -6.1871 -6.1871 1.4177 1.4469 1.6518 1.6637 1.6920 1.7396 1.9657 2.0110 2.7230 2.7730 2.7798 2.8140 2.8781 2.8965 2.9100 2.9554 3.0793 3.1126 3.1684 3.1907 3.4302 3.5220 3.5442 3.5546 4.0304 4.0304 4.2127 4.2451 4.2800 4.3083 4.3341 4.4046 4.4538 4.4613 4.4660 4.4749 4.7126 4.7355 4.7897 4.8323 4.8453 4.8717 4.9163 4.9579 4.9836 5.0061 5.2263 5.3121 5.8773 5.8817 5.9912 5.9923 6.0643 6.0654 8.5077 8.5129 8.5815 8.7156 8.9126 8.9775 9.1728 9.2681 9.4266 9.5722 10.6145 10.6287 11.2494 11.2498 k = 0.2250 0.5000 0.2250 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7328 -25.7328 -25.7321 -25.7321 -6.6993 -6.6971 -6.4361 -6.4011 -6.2433 -6.2052 -6.1778 -6.1777 1.4104 1.4410 1.6663 1.6784 1.7086 1.7536 1.9792 2.0256 2.7159 2.7686 2.7721 2.8080 2.8607 2.8894 2.8982 2.9351 3.0886 3.1235 3.1749 3.1972 3.4435 3.5381 3.5562 3.5692 4.0196 4.0216 4.2114 4.2418 4.2766 4.3108 4.3290 4.4026 4.4572 4.4616 4.4662 4.4738 4.7172 4.7410 4.7873 4.8396 4.8411 4.8768 4.9040 4.9489 4.9885 5.0132 5.2469 5.3346 5.8331 5.8357 5.9736 5.9754 6.0547 6.0561 8.4802 8.4946 8.5883 8.7258 8.9062 8.9479 9.1406 9.2329 9.4088 9.5555 10.6406 10.6572 11.3210 11.3243 k = 0.2125 0.5000 0.2125 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7328 -25.7328 -25.7321 -25.7320 -6.7133 -6.7114 -6.4413 -6.4079 -6.2339 -6.1971 -6.1686 -6.1684 1.4021 1.4336 1.6804 1.6923 1.7242 1.7664 1.9909 2.0380 2.7100 2.7649 2.7653 2.8027 2.8437 2.8827 2.8887 2.9150 3.1005 3.1354 3.1815 3.2036 3.4579 3.5548 3.5685 3.5844 4.0092 4.0133 4.2099 4.2387 4.2735 4.3133 4.3239 4.3998 4.4568 4.4655 4.4665 4.4734 4.7199 4.7413 4.7882 4.8362 4.8403 4.8822 4.8967 4.9377 4.9977 5.0225 5.2673 5.3563 5.7873 5.7880 5.9584 5.9610 6.0482 6.0497 8.4454 8.4784 8.5963 8.7373 8.9031 8.9227 9.1076 9.1967 9.3904 9.5379 10.6651 10.6843 11.3914 11.3982 k = 0.2000 0.5000 0.2000 ( 6482 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7328 -25.7328 -25.7320 -25.7320 -6.7270 -6.7252 -6.4464 -6.4146 -6.2245 -6.1892 -6.1595 -6.1592 1.3931 1.4249 1.6937 1.7052 1.7387 1.7778 2.0009 2.0482 2.7054 2.7580 2.7632 2.7976 2.8285 2.8763 2.8809 2.8960 3.1142 3.1479 3.1883 3.2100 3.4734 3.5720 3.5814 3.6003 3.9992 4.0056 4.2081 4.2360 4.2707 4.3158 4.3189 4.3962 4.4550 4.4673 4.4705 4.4734 4.7202 4.7355 4.7934 4.8305 4.8322 4.8868 4.8971 4.9285 5.0087 5.0336 5.2873 5.3767 5.7390 5.7406 5.9459 5.9493 6.0442 6.0455 8.4094 8.4589 8.6054 8.7496 8.9027 8.9028 9.0743 9.1602 9.3716 9.5196 10.6875 10.7093 11.4593 11.4705 k = 0.1875 0.5000 0.1875 ( 6476 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7328 -25.7327 -25.7319 -25.7319 -6.7401 -6.7386 -6.4515 -6.4214 -6.2152 -6.1815 -6.1506 -6.1503 1.3833 1.4150 1.7062 1.7169 1.7520 1.7878 2.0095 2.0563 2.7020 2.7514 2.7622 2.7925 2.8162 2.8695 2.8742 2.8793 3.1287 3.1606 3.1953 3.2162 3.4899 3.5889 3.5956 3.6169 3.9896 3.9983 4.2061 4.2335 4.2684 4.3141 4.3180 4.3921 4.4527 4.4684 4.4739 4.4756 4.7177 4.7251 4.8012 4.8183 4.8239 4.8893 4.9028 4.9244 5.0208 5.0462 5.3066 5.3956 5.6894 5.6934 5.9362 5.9405 6.0420 6.0432 8.3730 8.4360 8.6152 8.7624 8.8884 8.9048 9.0412 9.1240 9.3527 9.5007 10.7074 10.7317 11.5238 11.5402 k = 0.1750 0.5000 0.1750 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7327 -25.7327 -25.7318 -25.7318 -6.7527 -6.7514 -6.4564 -6.4280 -6.2061 -6.1740 -6.1419 -6.1415 1.3731 1.4041 1.7177 1.7274 1.7640 1.7964 2.0167 2.0626 2.6997 2.7451 2.7622 2.7867 2.8076 2.8584 2.8686 2.8690 3.1436 3.1732 3.2023 3.2222 3.5074 3.6040 3.6126 3.6341 3.9804 3.9916 4.2037 4.2313 4.2667 4.3098 4.3198 4.3877 4.4498 4.4697 4.4748 4.4805 4.7117 4.7124 4.7977 4.8144 4.8152 4.8899 4.9110 4.9263 5.0336 5.0597 5.3250 5.4126 5.6397 5.6463 5.9295 5.9348 6.0413 6.0422 8.3371 8.4101 8.6254 8.7751 8.8799 8.9085 9.0088 9.0890 9.3337 9.4813 10.7241 10.7510 11.5837 11.6060 k = 0.1625 0.5000 0.1625 ( 6486 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7327 -25.7327 -25.7318 -25.7318 -6.7647 -6.7636 -6.4611 -6.4345 -6.1972 -6.1668 -6.1335 -6.1331 1.3625 1.3926 1.7280 1.7366 1.7747 1.8037 2.0227 2.0672 2.6985 2.7392 2.7631 2.7803 2.8027 2.8447 2.8637 2.8639 3.1582 3.1853 3.2093 3.2280 3.5257 3.6178 3.6314 3.6519 3.9717 3.9851 4.2013 4.2294 4.2658 4.3059 4.3212 4.3830 4.4463 4.4712 4.4759 4.4851 4.6964 4.7047 4.7790 4.8041 4.8251 4.8911 4.9202 4.9324 5.0469 5.0736 5.3419 5.4270 5.5904 5.5996 5.9259 5.9325 6.0415 6.0423 8.3020 8.3818 8.6359 8.7869 8.8767 8.9135 8.9777 9.0561 9.3149 9.4616 10.7375 10.7667 11.6374 11.6668 k = 0.1500 0.5000 0.1500 ( 6470 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7327 -25.7327 -25.7317 -25.7317 -6.7760 -6.7751 -6.4655 -6.4408 -6.1885 -6.1600 -6.1255 -6.1251 1.3518 1.3805 1.7371 1.7445 1.7842 1.8098 2.0276 2.0702 2.6981 2.7341 2.7647 2.7741 2.8002 2.8322 2.8596 2.8600 3.1724 3.1966 3.2165 3.2336 3.5447 3.6314 3.6511 3.6704 3.9635 3.9790 4.1990 4.2279 4.2658 4.3025 4.3223 4.3786 4.4422 4.4727 4.4772 4.4894 4.6802 4.6952 4.7587 4.7906 4.8375 4.8948 4.9302 4.9407 5.0605 5.0874 5.3571 5.4385 5.5420 5.5540 5.9258 5.9336 6.0426 6.0432 8.2684 8.3517 8.6461 8.7965 8.8782 8.9192 8.9486 9.0268 9.2965 9.4416 10.7472 10.7785 11.6832 11.7207 k = 0.1375 0.5000 0.1375 ( 6486 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3796 -25.7327 -25.7327 -25.7317 -25.7317 -6.7867 -6.7858 -6.4697 -6.4469 -6.1802 -6.1537 -6.1179 -6.1174 1.3411 1.3682 1.7448 1.7510 1.7926 1.8148 2.0315 2.0718 2.6986 2.7298 2.7668 2.7685 2.7992 2.8215 2.8564 2.8570 3.1856 3.2068 3.2237 3.2389 3.5642 3.6449 3.6711 3.6892 3.9555 3.9728 4.1971 4.2266 4.2666 4.2996 4.3228 4.3743 4.4373 4.4736 4.4789 4.4932 4.6636 4.6845 4.7376 4.7751 4.8506 4.9010 4.9408 4.9503 5.0740 5.1004 5.3699 5.4457 5.4959 5.5097 5.9292 5.9382 6.0442 6.0446 8.2367 8.3207 8.6556 8.8022 8.8837 8.9220 8.9251 9.0030 9.2787 9.4215 10.7532 10.7861 11.7183 11.7646 k = 0.1250 0.5000 0.1250 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7327 -25.7326 -25.7316 -25.7316 -6.7965 -6.7959 -6.4735 -6.4527 -6.1722 -6.1478 -6.1107 -6.1103 1.3307 1.3559 1.7513 1.7562 1.7999 1.8190 2.0346 2.0723 2.6997 2.7268 2.7638 2.7691 2.7991 2.8127 2.8538 2.8546 3.1978 3.2160 3.2309 3.2438 3.5839 3.6582 3.6911 3.7083 3.9480 3.9666 4.1960 4.2257 4.2682 4.2973 4.3230 4.3703 4.4317 4.4733 4.4813 4.4966 4.6473 4.6732 4.7161 4.7584 4.8644 4.9094 4.9521 4.9606 5.0872 5.1125 5.3795 5.4369 5.4639 5.4676 5.9359 5.9461 6.0462 6.0464 8.2072 8.2897 8.6638 8.8017 8.8915 8.8999 8.9311 8.9868 9.2616 9.4012 10.7556 10.7895 11.7379 11.7880 k = 0.1125 0.5000 0.1125 ( 6484 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7315 -25.7315 -6.8056 -6.8050 -6.4770 -6.4581 -6.1647 -6.1425 -6.1041 -6.1036 1.3207 1.3438 1.7564 1.7601 1.8063 1.8225 2.0369 2.0717 2.7014 2.7251 2.7598 2.7712 2.7995 2.8058 2.8518 2.8530 3.2089 3.2239 3.2378 3.2483 3.6034 3.6714 3.7108 3.7274 3.9407 3.9602 4.1961 4.2251 4.2705 4.2957 4.3229 4.3668 4.4254 4.4715 4.4844 4.4997 4.6319 4.6616 4.6944 4.7407 4.8787 4.9196 4.9637 4.9716 5.0996 5.1234 5.3843 5.3986 5.4296 5.4600 5.9458 5.9568 6.0484 6.0485 8.1803 8.2592 8.6699 8.7939 8.8797 8.9045 8.9369 8.9791 9.2456 9.3809 10.7546 10.7887 11.7361 11.7705 k = 0.1000 0.5000 0.1000 ( 6482 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7315 -25.7315 -6.8138 -6.8134 -6.4801 -6.4632 -6.1577 -6.1377 -6.0980 -6.0976 1.3113 1.3322 1.7603 1.7630 1.8118 1.8254 2.0388 2.0703 2.7035 2.7247 2.7563 2.7726 2.8002 2.8010 2.8505 2.8519 3.2188 3.2309 3.2444 3.2524 3.6227 3.6841 3.7301 3.7462 3.9338 3.9534 4.1975 4.2248 4.2735 4.2949 4.3225 4.3636 4.4183 4.4677 4.4882 4.5023 4.6181 4.6504 4.6728 4.7224 4.8935 4.9311 4.9758 4.9831 5.1111 5.1327 5.3574 5.3739 5.4064 5.4583 5.9583 5.9697 6.0507 6.0509 8.1563 8.2299 8.6731 8.7795 8.8667 8.9175 8.9428 8.9786 9.2308 9.3605 10.7506 10.7841 11.7155 11.7326 k = 0.0875 0.5000 0.0875 ( 6482 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7315 -25.7315 -6.8212 -6.8208 -6.4827 -6.4679 -6.1513 -6.1336 -6.0925 -6.0921 1.3027 1.3213 1.7632 1.7651 1.8165 1.8277 2.0402 2.0683 2.7060 2.7253 2.7533 2.7729 2.7984 2.8010 2.8498 2.8515 3.2275 3.2369 3.2503 3.2560 3.6413 3.6961 3.7487 3.7644 3.9271 3.9461 4.2002 4.2248 4.2771 4.2950 4.3222 4.3605 4.4107 4.4616 4.4925 4.5047 4.6063 4.6396 4.6518 4.7037 4.9089 4.9436 4.9878 4.9948 5.1212 5.1403 5.3183 5.3440 5.4030 5.4547 5.9725 5.9839 6.0531 6.0535 8.1352 8.2023 8.6729 8.7609 8.8596 8.9318 8.9478 8.9832 9.2179 9.3402 10.7443 10.7763 11.6867 11.6939 k = 0.0750 0.5000 0.0750 ( 6474 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7314 -25.7314 -6.8276 -6.8273 -6.4849 -6.4722 -6.1454 -6.1301 -6.0876 -6.0873 1.2951 1.3112 1.7652 1.7664 1.8205 1.8296 2.0413 2.0658 2.7088 2.7267 2.7507 2.7720 2.7975 2.8017 2.8495 2.8514 3.2351 3.2421 3.2554 3.2591 3.6590 3.7071 3.7664 3.7816 3.9207 3.9384 4.2043 4.2251 4.2812 4.2963 4.3218 4.3575 4.4028 4.4531 4.4976 4.5069 4.5971 4.6296 4.6319 4.6847 4.9247 4.9568 4.9993 5.0065 5.1295 5.1461 5.2826 5.3121 5.4026 5.4491 5.9876 5.9982 6.0556 6.0563 8.1174 8.1768 8.6699 8.7407 8.8585 8.9467 8.9508 8.9909 9.2071 9.3201 10.7364 10.7659 11.6571 11.6589 k = 0.0625 0.5000 0.0625 ( 6478 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7314 -25.7314 -6.8331 -6.8329 -6.4866 -6.4760 -6.1402 -6.1273 -6.0835 -6.0832 1.2887 1.3021 1.7664 1.7672 1.8238 1.8311 2.0424 2.0630 2.7117 2.7285 2.7487 2.7701 2.7979 2.8022 2.8497 2.8516 3.2416 3.2466 3.2596 3.2618 3.6755 3.7166 3.7830 3.7974 3.9146 3.9302 4.2092 4.2256 4.2859 4.2989 4.3214 4.3543 4.3949 4.4422 4.5033 4.5090 4.5905 4.6137 4.6204 4.6658 4.9411 4.9702 5.0099 5.0179 5.1352 5.1498 5.2515 5.2827 5.4018 5.4419 6.0024 6.0116 6.0582 6.0593 8.1029 8.1537 8.6650 8.7207 8.8624 8.9511 8.9616 9.0000 9.1991 9.3003 10.7280 10.7541 11.6290 11.6300 k = 0.0500 0.5000 0.0500 ( 6482 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7314 -25.7314 -6.8376 -6.8374 -6.4879 -6.4794 -6.1356 -6.1252 -6.0800 -6.0798 1.2834 1.2943 1.7672 1.7677 1.8266 1.8322 2.0435 2.0601 2.7147 2.7301 2.7476 2.7677 2.7988 2.8026 2.8502 2.8520 3.2469 3.2503 3.2629 3.2639 3.6906 3.7244 3.7982 3.8114 3.9089 3.9217 4.2145 4.2262 4.2912 4.3030 4.3211 4.3507 4.3876 4.4295 4.5094 4.5112 4.5862 4.5983 4.6122 4.6471 4.9580 4.9835 5.0187 5.0282 5.1373 5.1512 5.2268 5.2569 5.4008 5.4338 6.0157 6.0230 6.0612 6.0627 8.0919 8.1334 8.6596 8.7022 8.8700 8.9485 8.9759 9.0087 9.1943 9.2810 10.7200 10.7419 11.6049 11.6070 k = 0.0375 0.5000 0.0375 ( 6486 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7314 -25.7314 -6.8411 -6.8410 -6.4886 -6.4822 -6.1317 -6.1239 -6.0773 -6.0771 1.2796 1.2877 1.7675 1.7678 1.8288 1.8329 2.0447 2.0572 2.7177 2.7308 2.7479 2.7649 2.7998 2.8028 2.8509 2.8524 3.2512 3.2533 3.2653 3.2656 3.7038 3.7299 3.8119 3.8231 3.9037 3.9134 4.2194 4.2269 4.2973 4.3085 4.3206 4.3466 4.3815 4.4158 4.5136 4.5155 4.5827 4.5881 4.6050 4.6292 4.9752 4.9963 5.0251 5.0360 5.1350 5.1498 5.2105 5.2357 5.4001 5.4256 6.0264 6.0315 6.0646 6.0664 8.0845 8.1161 8.6551 8.6860 8.8801 8.9433 8.9891 9.0155 9.1935 9.2623 10.7133 10.7303 11.5864 11.5887 k = 0.0250 0.5000 0.0250 ( 6482 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7313 -25.7313 -6.8437 -6.8436 -6.4889 -6.4846 -6.1285 -6.1233 -6.0753 -6.0752 1.2771 1.2826 1.7677 1.7679 1.8305 1.8332 2.0461 2.0545 2.7207 2.7302 2.7496 2.7619 2.8008 2.8028 2.8516 2.8527 3.2543 3.2554 3.2668 3.2669 3.7149 3.7327 3.8235 3.8319 3.8995 3.9058 4.2233 4.2275 4.3036 4.3154 4.3197 4.3420 4.3776 4.4020 4.5162 4.5202 4.5781 4.5860 4.5988 4.6125 4.9927 5.0079 5.0285 5.0392 5.1306 5.1454 5.2028 5.2199 5.4004 5.4177 6.0340 6.0370 6.0681 6.0698 8.0807 8.1021 8.6526 8.6728 8.8916 8.9358 9.0006 9.0194 9.1967 9.2448 10.7088 10.7204 11.5736 11.5754 k = 0.0125 0.5000 0.0125 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7313 -25.7313 -6.8452 -6.8452 -6.4886 -6.4865 -6.1261 -6.1235 -6.0741 -6.0740 1.2762 1.2789 1.7678 1.7679 1.8318 1.8331 2.0477 2.0519 2.7236 2.7285 2.7523 2.7587 2.8016 2.8026 2.8522 2.8528 3.2562 3.2567 3.2675 3.2677 3.7236 3.7326 3.8323 3.8369 3.8968 3.8998 4.2259 4.2277 4.3096 4.3178 4.3231 4.3366 4.3770 4.3898 4.5189 4.5222 4.5786 4.5872 4.5934 4.5979 5.0096 5.0176 5.0283 5.0353 5.1288 5.1387 5.2013 5.2096 5.4022 5.4110 6.0384 6.0398 6.0711 6.0722 8.0806 8.0914 8.6527 8.6627 8.9036 8.9263 9.0099 9.0197 9.2041 9.2289 10.7070 10.7129 11.5662 11.5671 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3796 -34.3796 -25.7326 -25.7326 -25.7313 -25.7313 -6.8457 -6.8457 -6.4878 -6.4878 -6.1244 -6.1244 -6.0737 -6.0737 1.2768 1.2768 1.7678 1.7678 1.8326 1.8326 2.0497 2.0497 2.7262 2.7262 2.7554 2.7554 2.8022 2.8022 2.8526 2.8526 3.2570 3.2570 3.2679 3.2679 3.7296 3.7296 3.8371 3.8371 3.8967 3.8967 4.2273 4.2273 4.3145 4.3145 4.3304 4.3304 4.3810 4.3810 4.5213 4.5213 4.5854 4.5854 4.5901 4.5901 5.0246 5.0246 5.0246 5.0246 5.1322 5.1322 5.2036 5.2036 5.4057 5.4057 6.0402 6.0402 6.0726 6.0726 8.0842 8.0842 8.6560 8.6560 8.9154 8.9154 9.0165 9.0165 9.2150 9.2150 10.7084 10.7084 11.5641 11.5641 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7320 -25.7320 -6.5951 -6.5951 -6.3905 -6.3905 -6.3160 -6.3160 -6.2292 -6.2292 1.4932 1.4932 1.7050 1.7050 1.7822 1.7822 2.3726 2.3726 2.6558 2.6558 2.7980 2.7980 2.8383 2.8383 2.8440 2.8440 2.8854 2.8854 3.2424 3.2424 3.3381 3.3381 3.3766 3.3766 4.0191 4.0191 4.2943 4.2943 4.2949 4.2949 4.3630 4.3630 4.4665 4.4665 4.4847 4.4847 4.5600 4.5600 4.8990 4.8990 4.9780 4.9780 4.9937 4.9937 5.0233 5.0233 5.1088 5.1088 5.6877 5.6877 5.7164 5.7164 6.3035 6.3035 8.5575 8.5575 8.7570 8.7570 8.9529 8.9529 9.3806 9.3806 9.4432 9.4432 11.2044 11.2044 11.2181 11.2181 k = 0.5000 0.5000 0.0179 ( 6484 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7320 -25.7320 -6.5948 -6.5948 -6.3905 -6.3905 -6.3160 -6.3160 -6.2294 -6.2294 1.4930 1.4930 1.7039 1.7039 1.7811 1.7811 2.3654 2.3654 2.6609 2.6609 2.7990 2.7990 2.8385 2.8385 2.8450 2.8450 2.8870 2.8870 3.2421 3.2421 3.3380 3.3380 3.3769 3.3769 4.0198 4.0198 4.2935 4.2935 4.2951 4.2951 4.3637 4.3637 4.4658 4.4658 4.4848 4.4848 4.5602 4.5602 4.8979 4.8979 4.9788 4.9788 4.9934 4.9934 5.0241 5.0241 5.1086 5.1086 5.6895 5.6895 5.7180 5.7180 6.3042 6.3042 8.5546 8.5546 8.7605 8.7605 8.9535 8.9535 9.3811 9.3811 9.4440 9.4440 11.2013 11.2013 11.2150 11.2150 k = 0.5000 0.5000 0.0357 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7332 -25.7332 -25.7320 -25.7320 -6.5938 -6.5938 -6.3904 -6.3904 -6.3159 -6.3159 -6.2299 -6.2299 1.4921 1.4921 1.7007 1.7007 1.7777 1.7777 2.3452 2.3452 2.6744 2.6744 2.8022 2.8022 2.8394 2.8394 2.8479 2.8479 2.8918 2.8918 3.2411 3.2411 3.3380 3.3380 3.3776 3.3776 4.0218 4.0218 4.2909 4.2909 4.2957 4.2957 4.3654 4.3654 4.4639 4.4639 4.4850 4.4850 4.5607 4.5607 4.8947 4.8947 4.9803 4.9803 4.9934 4.9934 5.0260 5.0260 5.1079 5.1079 5.6950 5.6950 5.7230 5.7230 6.3060 6.3060 8.5466 8.5466 8.7701 8.7701 8.9554 8.9554 9.3825 9.3825 9.4464 9.4464 11.1923 11.1923 11.2056 11.2056 k = 0.5000 0.5000 0.0536 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7332 -25.7332 -25.7320 -25.7320 -6.5922 -6.5922 -6.3902 -6.3902 -6.3158 -6.3158 -6.2307 -6.2307 1.4906 1.4906 1.6954 1.6954 1.7721 1.7721 2.3157 2.3157 2.6924 2.6924 2.8073 2.8073 2.8412 2.8412 2.8522 2.8522 2.9004 2.9004 3.2394 3.2394 3.3380 3.3380 3.3786 3.3786 4.0250 4.0250 4.2870 4.2870 4.2966 4.2966 4.3681 4.3681 4.4607 4.4607 4.4852 4.4852 4.5616 4.5616 4.8899 4.8899 4.9802 4.9802 4.9957 4.9957 5.0283 5.0283 5.1067 5.1067 5.7041 5.7041 5.7312 5.7312 6.3091 6.3091 8.5351 8.5351 8.7838 8.7838 8.9591 8.9591 9.3847 9.3847 9.4502 9.4502 11.1773 11.1773 11.1901 11.1901 k = 0.5000 0.5000 0.0714 ( 6464 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7332 -25.7332 -25.7320 -25.7320 -6.5900 -6.5900 -6.3901 -6.3901 -6.3156 -6.3156 -6.2318 -6.2318 1.4886 1.4886 1.6881 1.6881 1.7644 1.7644 2.2803 2.2803 2.7111 2.7111 2.8139 2.8139 2.8442 2.8442 2.8580 2.8580 2.9131 2.9131 3.2371 3.2371 3.3380 3.3380 3.3801 3.3801 4.0296 4.0296 4.2820 4.2820 4.2978 4.2978 4.3713 4.3713 4.4566 4.4566 4.4855 4.4855 4.5627 4.5627 4.8840 4.8840 4.9777 4.9777 5.0008 5.0008 5.0306 5.0306 5.1050 5.1050 5.7170 5.7170 5.7430 5.7430 6.3133 6.3133 8.5217 8.5217 8.7990 8.7990 8.9654 8.9654 9.3877 9.3877 9.4553 9.4553 11.1566 11.1566 11.1687 11.1687 k = 0.5000 0.5000 0.0893 ( 6464 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7332 -25.7332 -25.7320 -25.7320 -6.5871 -6.5871 -6.3898 -6.3898 -6.3154 -6.3154 -6.2332 -6.2332 1.4860 1.4860 1.6791 1.6791 1.7549 1.7549 2.2412 2.2412 2.7284 2.7284 2.8213 2.8213 2.8487 2.8487 2.8652 2.8652 2.9304 2.9304 3.2341 3.2341 3.3380 3.3380 3.3817 3.3817 4.0353 4.0353 4.2763 4.2763 4.2994 4.2994 4.3749 4.3749 4.4518 4.4518 4.4857 4.4857 4.5642 4.5642 4.8774 4.8774 4.9736 4.9736 5.0071 5.0071 5.0321 5.0321 5.1030 5.1030 5.7337 5.7337 5.7582 5.7582 6.3186 6.3186 8.5079 8.5079 8.8136 8.8136 8.9752 8.9752 9.3914 9.3914 9.4615 9.4615 11.1306 11.1306 11.1419 11.1419 k = 0.5000 0.5000 0.1071 ( 6464 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7332 -25.7332 -25.7321 -25.7321 -6.5837 -6.5837 -6.3896 -6.3896 -6.3151 -6.3151 -6.2350 -6.2350 1.4828 1.4828 1.6683 1.6683 1.7437 1.7437 2.1999 2.1999 2.7434 2.7434 2.8285 2.8285 2.8550 2.8550 2.8737 2.8737 2.9520 2.9520 3.2305 3.2305 3.3382 3.3382 3.3836 3.3836 4.0420 4.0420 4.2702 4.2702 4.3013 4.3013 4.3787 4.3787 4.4464 4.4464 4.4860 4.4860 4.5660 4.5660 4.8704 4.8704 4.9685 4.9685 5.0134 5.0134 5.0327 5.0327 5.1006 5.1006 5.7544 5.7544 5.7771 5.7771 6.3250 6.3250 8.4946 8.4946 8.8256 8.8256 8.9895 8.9895 9.3956 9.3956 9.4684 9.4684 11.0997 11.0997 11.1102 11.1102 k = 0.5000 0.5000 0.1250 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7321 -25.7321 -6.5797 -6.5797 -6.3893 -6.3893 -6.3148 -6.3148 -6.2371 -6.2371 1.4791 1.4791 1.6561 1.6561 1.7311 1.7311 2.1575 2.1575 2.7562 2.7562 2.8349 2.8349 2.8632 2.8632 2.8833 2.8833 2.9771 2.9771 3.2262 3.2262 3.3385 3.3385 3.3855 3.3855 4.0498 4.0498 4.2639 4.2639 4.3034 4.3034 4.3824 4.3824 4.4408 4.4408 4.4864 4.4864 4.5682 4.5682 4.8631 4.8631 4.9626 4.9626 5.0189 5.0189 5.0323 5.0323 5.0979 5.0979 5.7789 5.7789 5.7997 5.7997 6.3323 6.3323 8.4825 8.4825 8.8339 8.8339 9.0088 9.0088 9.4001 9.4001 9.4757 9.4757 11.0645 11.0645 11.0741 11.0741 k = 0.5000 0.5000 0.1429 ( 6456 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7332 -25.7332 -25.7322 -25.7322 -6.5751 -6.5751 -6.3890 -6.3890 -6.3145 -6.3145 -6.2394 -6.2394 1.4749 1.4749 1.6428 1.6428 1.7174 1.7174 2.1146 2.1146 2.7676 2.7676 2.8406 2.8406 2.8730 2.8730 2.8940 2.8940 3.0045 3.0045 3.2214 3.2214 3.3389 3.3389 3.3875 3.3875 4.0584 4.0584 4.2578 4.2578 4.3058 4.3058 4.3862 4.3862 4.4351 4.4351 4.4868 4.4868 4.5708 4.5708 4.8556 4.8556 4.9557 4.9557 5.0222 5.0222 5.0314 5.0314 5.0952 5.0952 5.8074 5.8074 5.8259 5.8259 6.3405 6.3405 8.4721 8.4721 8.8384 8.8384 9.0325 9.0325 9.4047 9.4047 9.4832 9.4832 11.0256 11.0256 11.0346 11.0346 k = 0.5000 0.5000 0.1607 ( 6448 PWs) bands (ev): -61.4568 -61.4568 -34.3797 -34.3797 -25.7331 -25.7331 -25.7322 -25.7322 -6.5700 -6.5700 -6.3886 -6.3886 -6.3141 -6.3141 -6.2421 -6.2421 1.4702 1.4702 1.6284 1.6284 1.7027 1.7027 2.0717 2.0717 2.7780 2.7780 2.8459 2.8459 2.8840 2.8840 2.9056 2.9056 3.0332 3.0332 3.2161 3.2161 3.3396 3.3396 3.3895 3.3895 4.0678 4.0678 4.2520 4.2520 4.3084 4.3084 4.3899 4.3899 4.4295 4.4295 4.4872 4.4872 4.5739 4.5739 4.8480 4.8480 4.9479 4.9479 5.0210 5.0210 5.0318 5.0318 5.0924 5.0924 5.8394 5.8394 5.8557 5.8557 6.3495 6.3495 8.4638 8.4638 8.8397 8.8397 9.0597 9.0597 9.4089 9.4089 9.4902 9.4902 10.9837 10.9837 10.9926 10.9926 k = 0.5000 0.5000 0.1786 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7323 -25.7323 -6.5644 -6.5644 -6.3883 -6.3883 -6.3137 -6.3137 -6.2451 -6.2451 1.4651 1.4651 1.6134 1.6134 1.6873 1.6873 2.0292 2.0292 2.7878 2.7878 2.8512 2.8512 2.8959 2.8959 2.9179 2.9179 3.0620 3.0620 3.2101 3.2101 3.3403 3.3403 3.3912 3.3912 4.0776 4.0776 4.2467 4.2467 4.3110 4.3110 4.3933 4.3933 4.4241 4.4241 4.4875 4.4875 4.5775 4.5775 4.8402 4.8402 4.9392 4.9392 5.0160 5.0160 5.0324 5.0324 5.0897 5.0897 5.8747 5.8747 5.8888 5.8888 6.3591 6.3591 8.4580 8.4580 8.8384 8.8384 9.0891 9.0891 9.4126 9.4126 9.4964 9.4964 10.9398 10.9398 10.9489 10.9489 k = 0.5000 0.5000 0.1964 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7324 -25.7324 -6.5583 -6.5583 -6.3880 -6.3880 -6.3133 -6.3133 -6.2484 -6.2484 1.4595 1.4595 1.5979 1.5979 1.6715 1.6715 1.9874 1.9874 2.7976 2.7976 2.8567 2.8567 2.9085 2.9085 2.9307 2.9307 3.0904 3.0904 3.2037 3.2037 3.3412 3.3412 3.3928 3.3928 4.0878 4.0878 4.2422 4.2422 4.3139 4.3139 4.3964 4.3964 4.4193 4.4193 4.4879 4.4879 4.5817 4.5817 4.8323 4.8323 4.9297 4.9297 5.0088 5.0088 5.0316 5.0316 5.0872 5.0872 5.9129 5.9129 5.9253 5.9253 6.3693 6.3693 8.4549 8.4549 8.8353 8.8353 9.1197 9.1197 9.4154 9.4154 9.5014 9.5014 10.8946 10.8946 10.9046 10.9046 k = 0.5000 0.5000 0.2143 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7324 -25.7324 -6.5518 -6.5518 -6.3877 -6.3877 -6.3128 -6.3128 -6.2519 -6.2519 1.4536 1.4536 1.5824 1.5824 1.6554 1.6554 1.9465 1.9465 2.8074 2.8074 2.8625 2.8625 2.9216 2.9216 2.9439 2.9439 3.1177 3.1177 3.1969 3.1969 3.3423 3.3423 3.3942 3.3942 4.0979 4.0979 4.2389 4.2389 4.3167 4.3167 4.3989 4.3989 4.4154 4.4154 4.4881 4.4881 4.5864 4.5864 4.8243 4.8243 4.9194 4.9194 4.9998 4.9998 5.0290 5.0290 5.0847 5.0847 5.9533 5.9533 5.9649 5.9649 6.3799 6.3799 8.4547 8.4547 8.8308 8.8308 9.1503 9.1503 9.4168 9.4168 9.5045 9.5045 10.8494 10.8494 10.8607 10.8607 k = 0.5000 0.5000 0.2321 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7325 -25.7325 -6.5450 -6.5450 -6.3875 -6.3875 -6.3124 -6.3124 -6.2557 -6.2557 1.4473 1.4473 1.5670 1.5670 1.6393 1.6393 1.9067 1.9067 2.8174 2.8174 2.8686 2.8686 2.9351 2.9351 2.9572 2.9572 3.1434 3.1434 3.1896 3.1896 3.3437 3.3437 3.3954 3.3954 4.1075 4.1075 4.2371 4.2371 4.3197 4.3197 4.3998 4.3998 4.4135 4.4135 4.4883 4.4883 4.5916 4.5916 4.8161 4.8161 4.9086 4.9086 4.9895 4.9895 5.0248 5.0248 5.0819 5.0819 5.9954 5.9954 6.0073 6.0073 6.3909 6.3909 8.4576 8.4576 8.8252 8.8252 9.1799 9.1799 9.4167 9.4167 9.5053 9.5053 10.8051 10.8051 10.8179 10.8179 k = 0.5000 0.5000 0.2500 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7326 -25.7326 -6.5378 -6.5378 -6.3873 -6.3873 -6.3119 -6.3119 -6.2597 -6.2597 1.4407 1.4407 1.5521 1.5521 1.6233 1.6233 1.8682 1.8682 2.8276 2.8276 2.8751 2.8751 2.9489 2.9489 2.9707 2.9707 3.1671 3.1671 3.1822 3.1822 3.3453 3.3453 3.3962 3.3962 4.1163 4.1163 4.2371 4.2371 4.3226 4.3226 4.3986 4.3986 4.4143 4.4143 4.4884 4.4884 4.5975 4.5975 4.8078 4.8078 4.8973 4.8973 4.9780 4.9780 5.0194 5.0194 5.0783 5.0783 6.0388 6.0388 6.0520 6.0520 6.4020 6.4020 8.4637 8.4637 8.8190 8.8190 9.2073 9.2073 9.4146 9.4146 9.5036 9.5036 10.7626 10.7626 10.7773 10.7773 k = 0.5000 0.5000 0.2679 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7327 -25.7327 -6.5303 -6.5303 -6.3872 -6.3872 -6.3115 -6.3115 -6.2639 -6.2639 1.4339 1.4339 1.5380 1.5380 1.6077 1.6077 1.8312 1.8312 2.8381 2.8381 2.8819 2.8819 2.9629 2.9629 2.9840 2.9840 3.1738 3.1738 3.1894 3.1894 3.3472 3.3472 3.3968 3.3968 4.1238 4.1238 4.2394 4.2394 4.3254 4.3254 4.3960 4.3960 4.4168 4.4168 4.4882 4.4882 4.6039 4.6039 4.7994 4.7994 4.8858 4.8858 4.9657 4.9657 5.0132 5.0132 5.0737 5.0737 6.0828 6.0828 6.0983 6.0983 6.4131 6.4131 8.4731 8.4731 8.8123 8.8123 9.2315 9.2315 9.4106 9.4106 9.4989 9.4989 10.7225 10.7225 10.7395 10.7395 k = 0.5000 0.5000 0.2857 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7327 -25.7327 -6.5226 -6.5226 -6.3871 -6.3871 -6.3110 -6.3110 -6.2682 -6.2682 1.4268 1.4268 1.5250 1.5250 1.5926 1.5926 1.7958 1.7958 2.8487 2.8487 2.8889 2.8889 2.9769 2.9769 2.9970 2.9970 3.1658 3.1658 3.2087 3.2087 3.3495 3.3495 3.3970 3.3970 4.1296 4.1296 4.2442 4.2442 4.3281 4.3281 4.3931 4.3931 4.4202 4.4202 4.4878 4.4878 4.6108 4.6108 4.7908 4.7908 4.8742 4.8742 4.9531 4.9531 5.0065 5.0065 5.0677 5.0677 6.1273 6.1273 6.1455 6.1455 6.4242 6.4242 8.4858 8.4858 8.8053 8.8053 9.2510 9.2510 9.4046 9.4046 9.4913 9.4913 10.6852 10.6852 10.7052 10.7052 k = 0.5000 0.5000 0.3036 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7328 -25.7328 -6.5147 -6.5147 -6.3873 -6.3873 -6.3106 -6.3106 -6.2727 -6.2727 1.4194 1.4194 1.5133 1.5133 1.5781 1.5781 1.7620 1.7620 2.8595 2.8595 2.8961 2.8961 2.9908 2.9908 3.0098 3.0098 3.1574 3.1574 3.2255 3.2255 3.3523 3.3523 3.3969 3.3969 4.1337 4.1337 4.2514 4.2514 4.3307 4.3307 4.3904 4.3904 4.4240 4.4240 4.4871 4.4871 4.6182 4.6182 4.7822 4.7822 4.8625 4.8625 4.9404 4.9404 4.9996 4.9996 5.0604 5.0604 6.1716 6.1716 6.1928 6.1928 6.4351 6.4351 8.5016 8.5016 8.7983 8.7983 9.2648 9.2648 9.3966 9.3966 9.4808 9.4808 10.6505 10.6505 10.6748 10.6748 k = 0.5000 0.5000 0.3214 ( 6472 PWs) bands (ev): -61.4568 -61.4568 -34.3798 -34.3798 -25.7332 -25.7332 -25.7329 -25.7329 -6.5067 -6.5067 -6.3876 -6.3876 -6.3102 -6.3102 -6.2773 -6.2773 1.4119 1.4119 1.5032 1.5032 1.5645 1.5645 1.7301 1.7301 2.8703 2.8703 2.9035 2.9035 3.0044 3.0044 3.0220 3.0220 3.1489 3.1489 3.2398 3.2398 3.3555 3.3555 3.3966 3.3966 4.1362 4.1362 4.2607 4.2607 4.3330 4.3330 4.3880 4.3880 4.4279 4.4279 4.4860 4.4860 4.6260 4.6260 4.7736 4.7736 4.8509 4.8509 4.9282 4.9282 4.9926 4.9926 5.0516 5.0516 6.2151 6.2151 6.2395 6.2395 6.4458 6.4458 8.5204 8.5204 8.7913 8.7913 9.2720 9.2720 9.3868 9.3868 9.4676 9.4676 10.6180 10.6180 10.6485 10.6485 k = 0.5000 0.5000 0.3393 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7329 -25.7329 -6.4987 -6.4987 -6.3880 -6.3880 -6.3098 -6.3098 -6.2818 -6.2818 1.4043 1.4043 1.4949 1.4949 1.5517 1.5517 1.7001 1.7001 2.8809 2.8809 2.9109 2.9109 3.0176 3.0176 3.0335 3.0335 3.1404 3.1404 3.2513 3.2513 3.3593 3.3593 3.3959 3.3959 4.1375 4.1375 4.2716 4.2716 4.3352 4.3352 4.3858 4.3858 4.4320 4.4320 4.4845 4.4845 4.6343 4.6343 4.7651 4.7651 4.8391 4.8391 4.9169 4.9169 4.9857 4.9857 5.0415 5.0415 6.2573 6.2573 6.2849 6.2849 6.4560 6.4560 8.5419 8.5419 8.7845 8.7845 9.2723 9.2723 9.3751 9.3751 9.4522 9.4522 10.5886 10.5886 10.6265 10.6265 k = 0.5000 0.5000 0.3571 ( 6500 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7330 -25.7330 -6.4907 -6.4907 -6.3887 -6.3887 -6.3094 -6.3094 -6.2863 -6.2863 1.3968 1.3968 1.4884 1.4884 1.5400 1.5400 1.6720 1.6720 2.8913 2.8913 2.9181 2.9181 3.0301 3.0301 3.0443 3.0443 3.1320 3.1320 3.2604 3.2604 3.3635 3.3635 3.3951 3.3951 4.1379 4.1379 4.2835 4.2835 4.3371 4.3371 4.3840 4.3840 4.4359 4.4359 4.4824 4.4824 4.6429 4.6429 4.7570 4.7570 4.8271 4.8271 4.9071 4.9071 4.9792 4.9792 5.0303 5.0303 6.2973 6.2973 6.3283 6.3283 6.4658 6.4658 8.5658 8.5658 8.7780 8.7780 9.2665 9.2665 9.3615 9.3615 9.4346 9.4346 10.5647 10.5647 10.6087 10.6087 k = 0.5000 0.5000 0.3750 ( 6480 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7330 -25.7330 -6.4829 -6.4829 -6.3897 -6.3897 -6.3091 -6.3091 -6.2907 -6.2907 1.3896 1.3896 1.4839 1.4839 1.5295 1.5295 1.6460 1.6460 2.9014 2.9014 2.9251 2.9251 3.0418 3.0418 3.0543 3.0543 3.1239 3.1239 3.2672 3.2672 3.3680 3.3680 3.3941 3.3941 4.1379 4.1379 4.2962 4.2962 4.3389 4.3389 4.3825 4.3825 4.4400 4.4400 4.4799 4.4799 4.6520 4.6520 4.7496 4.7496 4.8149 4.8149 4.8992 4.8992 4.9730 4.9730 5.0183 5.0183 6.3344 6.3344 6.3689 6.3689 6.4751 6.4751 8.5914 8.5914 8.7720 8.7720 9.2562 9.2562 9.3462 9.3462 9.4151 9.4151 10.5478 10.5478 10.5947 10.5947 k = 0.5000 0.5000 0.3929 ( 6484 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7331 -25.7331 -6.4754 -6.4754 -6.3909 -6.3909 -6.3088 -6.3088 -6.2947 -6.2947 1.3828 1.3828 1.4812 1.4812 1.5201 1.5201 1.6221 1.6221 2.9109 2.9109 2.9315 2.9315 3.0524 3.0524 3.0633 3.0633 3.1161 3.1161 3.2720 3.2720 3.3725 3.3725 3.3930 3.3930 4.1376 4.1376 4.3089 4.3089 4.3404 4.3404 4.3811 4.3811 4.4437 4.4437 4.4767 4.4767 4.6614 4.6614 4.7429 4.7429 4.8024 4.8024 4.8934 4.8934 4.9674 4.9674 5.0056 5.0056 6.3679 6.3679 6.4060 6.4060 6.4840 6.4840 8.6180 8.6180 8.7664 8.7664 9.2430 9.2430 9.3300 9.3300 9.3937 9.3937 10.5386 10.5386 10.5842 10.5842 k = 0.5000 0.5000 0.4107 ( 6500 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4682 -6.4682 -6.3923 -6.3923 -6.3085 -6.3085 -6.2985 -6.2985 1.3767 1.3767 1.4803 1.4803 1.5121 1.5121 1.6005 1.6005 2.9197 2.9197 2.9372 2.9372 3.0617 3.0617 3.0711 3.0711 3.1090 3.1090 3.2752 3.2752 3.3768 3.3768 3.3919 3.3919 4.1370 4.1370 4.3213 4.3213 4.3417 4.3417 4.3798 4.3798 4.4471 4.4471 4.4731 4.4731 4.6711 4.6711 4.7370 4.7370 4.7896 4.7896 4.8897 4.8897 4.9624 4.9624 4.9929 4.9929 6.3968 6.3968 6.4389 6.4389 6.4924 6.4924 8.6448 8.6448 8.7614 8.7614 9.2287 9.2287 9.3139 9.3139 9.3709 9.3709 10.5361 10.5361 10.5767 10.5767 k = 0.5000 0.5000 0.4286 ( 6492 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4617 -6.4617 -6.3940 -6.3940 -6.3083 -6.3083 -6.3017 -6.3017 1.3715 1.3715 1.4812 1.4812 1.5054 1.5054 1.5812 1.5812 2.9277 2.9277 2.9420 2.9420 3.0696 3.0696 3.0776 3.0776 3.1029 3.1029 3.2772 3.2772 3.3806 3.3806 3.3908 3.3908 4.1365 4.1365 4.3332 4.3332 4.3427 4.3427 4.3785 4.3785 4.4501 4.4501 4.4692 4.4692 4.6811 4.6811 4.7323 4.7323 4.7768 4.7768 4.8882 4.8882 4.9582 4.9582 4.9805 4.9805 6.4206 6.4206 6.4669 6.4669 6.5004 6.5004 8.6705 8.6705 8.7569 8.7569 9.2147 9.2147 9.2993 9.2993 9.3476 9.3476 10.5388 10.5388 10.5714 10.5714 k = 0.5000 0.5000 0.4464 ( 6496 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4560 -6.4560 -6.3957 -6.3957 -6.3081 -6.3081 -6.3043 -6.3043 1.3672 1.3672 1.4835 1.4835 1.5002 1.5002 1.5646 1.5646 2.9347 2.9347 2.9456 2.9456 3.0758 3.0758 3.0822 3.0822 3.0984 3.0984 3.2783 3.2783 3.3838 3.3838 3.3899 3.3899 4.1361 4.1361 4.3432 4.3432 4.3442 4.3442 4.3768 4.3768 4.4526 4.4526 4.4653 4.4653 4.6914 4.6914 4.7287 4.7287 4.7641 4.7641 4.8884 4.8884 4.9548 4.9548 4.9691 4.9691 6.4387 6.4387 6.4894 6.4894 6.5077 6.5077 8.6939 8.6939 8.7529 8.7529 9.2023 9.2023 9.2876 9.2876 9.3254 9.3254 10.5445 10.5445 10.5679 10.5679 k = 0.5000 0.5000 0.4643 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4515 -6.4515 -6.3973 -6.3973 -6.3080 -6.3080 -6.3063 -6.3063 1.3641 1.3641 1.4867 1.4867 1.4964 1.4964 1.5512 1.5512 2.9404 2.9404 2.9478 2.9478 3.0803 3.0803 3.0843 3.0843 3.0965 3.0965 3.2789 3.2789 3.3862 3.3862 3.3892 3.3892 4.1357 4.1357 4.3440 4.3440 4.3535 4.3535 4.3747 4.3747 4.4546 4.4546 4.4618 4.4618 4.7016 4.7016 4.7263 4.7263 4.7517 4.7517 4.8897 4.8897 4.9523 4.9523 4.9596 4.9596 6.4510 6.4510 6.5059 6.5059 6.5140 6.5140 8.7135 8.7135 8.7490 8.7490 9.1925 9.1925 9.2801 9.2801 9.3060 9.3060 10.5512 10.5512 10.5656 10.5656 k = 0.5000 0.5000 0.4821 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4486 -6.4486 -6.3985 -6.3985 -6.3079 -6.3079 -6.3075 -6.3075 1.3622 1.3622 1.4901 1.4901 1.4939 1.4939 1.5419 1.5419 2.9447 2.9447 2.9484 2.9484 3.0830 3.0830 3.0842 3.0842 3.0966 3.0966 3.2792 3.2792 3.3876 3.3876 3.3887 3.3887 4.1355 4.1355 4.3444 4.3444 4.3613 4.3613 4.3717 4.3717 4.4560 4.4560 4.4591 4.4591 4.7111 4.7111 4.7258 4.7258 4.7400 4.7400 4.8913 4.8913 4.9508 4.9508 4.9530 4.9530 6.4581 6.4581 6.5160 6.5160 6.5183 6.5183 8.7282 8.7282 8.7445 8.7445 9.1862 9.1862 9.2778 9.2778 9.2909 9.2909 10.5571 10.5571 10.5637 10.5637 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.4568 -61.4568 -34.3799 -34.3799 -25.7332 -25.7332 -25.7332 -25.7332 -6.4475 -6.4475 -6.3989 -6.3989 -6.3079 -6.3079 -6.3079 -6.3079 1.3616 1.3616 1.4923 1.4923 1.4923 1.4923 1.5384 1.5384 2.9474 2.9474 2.9474 2.9474 3.0839 3.0839 3.0839 3.0839 3.0969 3.0969 3.2793 3.2793 3.3883 3.3883 3.3883 3.3883 4.1354 4.1354 4.3445 4.3445 4.3673 4.3673 4.3673 4.3673 4.4573 4.4573 4.4573 4.4573 4.7157 4.7157 4.7301 4.7301 4.7301 4.7301 4.8921 4.8921 4.9504 4.9504 4.9504 4.9504 6.4603 6.4603 6.5196 6.5196 6.5196 6.5196 8.7382 8.7382 8.7382 8.7382 9.1840 9.1840 9.2813 9.2813 9.2813 9.2813 10.5612 10.5612 10.5612 10.5612 Writing output data file TaCu3Se4.save init_run : 4.66s CPU 13.42s WALL ( 1 calls) electrons : 1167.95s CPU 1180.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.54s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 1167.89s CPU 1180.02s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.97s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.15s CPU 0.59s WALL ( 1 calls) newd : 0.73s CPU 0.82s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.10s WALL ( 218 calls) cegterg : 1116.81s CPU 1126.67s WALL ( 605 calls) Called by sum_band: Called by *egterg: h_psi : 330.48s CPU 337.53s WALL ( 10450 calls) s_psi : 42.64s CPU 43.03s WALL ( 10450 calls) g_psi : 1.09s CPU 1.11s WALL ( 9627 calls) cdiaghg : 565.93s CPU 564.47s WALL ( 9845 calls) cegterg:over : 98.96s CPU 96.74s WALL ( 9627 calls) cegterg:upda : 33.66s CPU 35.77s WALL ( 9627 calls) cegterg:last : 24.07s CPU 24.44s WALL ( 1317 calls) Called by h_psi: h_psi:vloc : 243.96s CPU 249.27s WALL ( 10450 calls) h_psi:vnl : 85.89s CPU 87.06s WALL ( 10450 calls) add_vuspsi : 32.22s CPU 35.46s WALL ( 10450 calls) General routines calbec : 53.63s CPU 51.48s WALL ( 10450 calls) fft : 0.48s CPU 1.24s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 230.55s CPU 233.88s WALL ( 1315024 calls) interpolate : 0.11s CPU 0.11s WALL ( 4 calls) davcio : 0.01s CPU 1.93s WALL ( 436 calls) Parallel routines fft_scatter : 160.44s CPU 160.49s WALL ( 1315047 calls) PWSCF : 20m40.44s CPU 22m59.55s WALL This run was terminated on: 19:50:47 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=