Program PWSCF v.5.1.1 starts on 14Dec2015 at 5:12:48 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: ./ZrSO.save/ 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 62 38 10 2558 1227 186 Max 63 39 11 2564 1251 193 Sum 2981 1861 517 122969 59589 9093 bravais-lattice index = 14 lattice parameter (alat) = 10.7639 a.u. unit-cell volume = 1247.1148 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.763879 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Zr 4.00 91.22400 Zr( 1.00) O 6.00 15.99940 O( 1.00) 12 Sym. Ops. (no inversion) found ( 9 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) 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 ) f =( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) double point group T (23) there are 7 classes and 3 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 G_6 2.00 -2.00 0.00 0.50 -0.50 -0.50 0.50 G_7 2.00 -2.00 0.00 0.50 -0.50 -0.50 0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6 0.00 0.00 0.00 0.87 -0.87 0.87 -0.87 G_7 0.00 0.00 0.00 -0.87 0.87 -0.87 0.87 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 4C3' 5 7 8 6 4C3 9 12 10 11 -E -1 -4C3' -5 -7 -8 -6 -4C3 -9 -12 -10 -11 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: 122969 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 59589 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 326, 76) NL pseudopotentials 0.64 Mb ( 163, 256) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2564) G-vector shells 0.00 Mb ( 583) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.51 Mb ( 326, 304) Each subspace H/S matrix 1.41 Mb ( 304, 304) Each matrix 0.59 Mb ( 256, 2, 76) The potential is recalculated from file : ./ZrSO.save/charge-density.dat Starting wfc are 136 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.9 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 64.8 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 77.6 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.3 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 103.1 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.0 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 129.7 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 142.5 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 155.3 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.1 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.1 secs Computing kpt #: 12 total cpu time spent up to now is 193.6 secs Computing kpt #: 13 total cpu time spent up to now is 205.7 secs Computing kpt #: 14 total cpu time spent up to now is 217.9 secs Computing kpt #: 15 total cpu time spent up to now is 229.4 secs Computing kpt #: 16 total cpu time spent up to now is 240.7 secs Computing kpt #: 17 total cpu time spent up to now is 251.6 secs Computing kpt #: 18 total cpu time spent up to now is 262.9 secs Computing kpt #: 19 total cpu time spent up to now is 273.9 secs Computing kpt #: 20 total cpu time spent up to now is 286.0 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.0 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.2 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.1 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 338.4 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 351.7 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 364.9 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 378.2 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 391.3 secs Computing kpt #: 29 total cpu time spent up to now is 404.3 secs Computing kpt #: 30 total cpu time spent up to now is 417.5 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 430.5 secs Computing kpt #: 32 total cpu time spent up to now is 443.3 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 456.5 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 469.6 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 483.3 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 496.3 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 509.2 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 522.0 secs Computing kpt #: 39 total cpu time spent up to now is 534.5 secs Computing kpt #: 40 total cpu time spent up to now is 546.9 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 559.1 secs Computing kpt #: 42 total cpu time spent up to now is 569.9 secs Computing kpt #: 43 total cpu time spent up to now is 580.8 secs Computing kpt #: 44 total cpu time spent up to now is 591.4 secs Computing kpt #: 45 total cpu time spent up to now is 601.1 secs Computing kpt #: 46 total cpu time spent up to now is 610.1 secs Computing kpt #: 47 total cpu time spent up to now is 619.4 secs Computing kpt #: 48 total cpu time spent up to now is 627.4 secs Computing kpt #: 49 total cpu time spent up to now is 636.1 secs Computing kpt #: 50 total cpu time spent up to now is 644.7 secs Computing kpt #: 51 total cpu time spent up to now is 653.1 secs Computing kpt #: 52 total cpu time spent up to now is 661.6 secs Computing kpt #: 53 total cpu time spent up to now is 670.2 secs Computing kpt #: 54 total cpu time spent up to now is 678.6 secs Computing kpt #: 55 total cpu time spent up to now is 687.7 secs Computing kpt #: 56 total cpu time spent up to now is 696.3 secs Computing kpt #: 57 total cpu time spent up to now is 704.9 secs Computing kpt #: 58 total cpu time spent up to now is 715.0 secs Computing kpt #: 59 total cpu time spent up to now is 723.2 secs Computing kpt #: 60 total cpu time spent up to now is 731.7 secs Computing kpt #: 61 total cpu time spent up to now is 740.3 secs Computing kpt #: 62 total cpu time spent up to now is 748.9 secs Computing kpt #: 63 total cpu time spent up to now is 757.8 secs Computing kpt #: 64 total cpu time spent up to now is 766.7 secs Computing kpt #: 65 total cpu time spent up to now is 776.2 secs Computing kpt #: 66 total cpu time spent up to now is 785.7 secs Computing kpt #: 67 total cpu time spent up to now is 795.2 secs Computing kpt #: 68 total cpu time spent up to now is 804.7 secs Computing kpt #: 69 total cpu time spent up to now is 814.0 secs Computing kpt #: 70 total cpu time spent up to now is 823.9 secs Computing kpt #: 71 total cpu time spent up to now is 833.5 secs Computing kpt #: 72 total cpu time spent up to now is 843.6 secs Computing kpt #: 73 total cpu time spent up to now is 853.7 secs Computing kpt #: 74 total cpu time spent up to now is 863.9 secs Computing kpt #: 75 total cpu time spent up to now is 874.3 secs Computing kpt #: 76 total cpu time spent up to now is 886.0 secs Computing kpt #: 77 total cpu time spent up to now is 897.4 secs Computing kpt #: 78 total cpu time spent up to now is 908.7 secs Computing kpt #: 79 total cpu time spent up to now is 920.1 secs Computing kpt #: 80 total cpu time spent up to now is 932.3 secs Computing kpt #: 81 total cpu time spent up to now is 943.8 secs Computing kpt #: 82 total cpu time spent up to now is 956.6 secs Computing kpt #: 83 total cpu time spent up to now is 969.5 secs Computing kpt #: 84 total cpu time spent up to now is 982.4 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 995.6 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1010.3 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1023.4 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1036.5 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1049.5 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1062.8 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1075.7 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1088.5 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1101.3 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1114.2 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1127.0 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1139.9 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1152.8 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1165.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1178.3 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1190.7 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1203.6 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1216.4 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1229.2 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1242.0 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1254.8 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1267.7 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1280.5 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1293.7 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1307.6 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1321.7 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1335.0 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1348.1 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1360.9 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1373.9 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1386.9 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1400.0 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1413.1 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1426.2 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1439.7 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1452.8 secs Computing kpt #: 121 total cpu time spent up to now is 1465.5 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1478.8 secs Computing kpt #: 123 total cpu time spent up to now is 1491.8 secs Computing kpt #: 124 total cpu time spent up to now is 1504.8 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1517.9 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1530.9 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1544.1 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1557.1 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1570.3 secs Computing kpt #: 130 total cpu time spent up to now is 1583.2 secs Computing kpt #: 131 total cpu time spent up to now is 1596.0 secs Computing kpt #: 132 total cpu time spent up to now is 1608.8 secs Computing kpt #: 133 total cpu time spent up to now is 1622.0 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1635.2 secs Computing kpt #: 135 total cpu time spent up to now is 1647.0 secs Computing kpt #: 136 total cpu time spent up to now is 1659.8 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1673.0 secs Computing kpt #: 138 total cpu time spent up to now is 1685.7 secs Computing kpt #: 139 total cpu time spent up to now is 1697.7 secs Computing kpt #: 140 total cpu time spent up to now is 1709.6 secs Computing kpt #: 141 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1722.7 secs Computing kpt #: 142 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1735.8 secs Computing kpt #: 143 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1748.9 secs Computing kpt #: 144 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1761.9 secs Computing kpt #: 145 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1774.9 secs Computing kpt #: 146 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1787.9 secs Computing kpt #: 147 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1800.8 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1812.6 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1824.7 secs Computing kpt #: 150 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1837.3 secs Computing kpt #: 151 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1849.9 secs Computing kpt #: 152 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1862.6 secs Computing kpt #: 153 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1875.3 secs Computing kpt #: 154 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1887.8 secs Computing kpt #: 155 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1900.5 secs Computing kpt #: 156 total cpu time spent up to now is 1915.2 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1927.4 secs Computing kpt #: 158 total cpu time spent up to now is 1938.9 secs Computing kpt #: 159 total cpu time spent up to now is 1950.5 secs Computing kpt #: 160 total cpu time spent up to now is 1962.2 secs Computing kpt #: 161 total cpu time spent up to now is 1974.3 secs Computing kpt #: 162 total cpu time spent up to now is 1985.5 secs Computing kpt #: 163 total cpu time spent up to now is 1996.9 secs Computing kpt #: 164 total cpu time spent up to now is 2008.3 secs Computing kpt #: 165 total cpu time spent up to now is 2019.8 secs Computing kpt #: 166 total cpu time spent up to now is 2030.4 secs Computing kpt #: 167 total cpu time spent up to now is 2041.5 secs Computing kpt #: 168 total cpu time spent up to now is 2052.3 secs Computing kpt #: 169 total cpu time spent up to now is 2063.0 secs Computing kpt #: 170 total cpu time spent up to now is 2074.5 secs Computing kpt #: 171 total cpu time spent up to now is 2085.2 secs Computing kpt #: 172 total cpu time spent up to now is 2095.8 secs Computing kpt #: 173 total cpu time spent up to now is 2106.6 secs Computing kpt #: 174 total cpu time spent up to now is 2117.5 secs Computing kpt #: 175 total cpu time spent up to now is 2128.3 secs Computing kpt #: 176 total cpu time spent up to now is 2139.4 secs Computing kpt #: 177 total cpu time spent up to now is 2151.6 secs Computing kpt #: 178 total cpu time spent up to now is 2163.8 secs Computing kpt #: 179 total cpu time spent up to now is 2175.1 secs Computing kpt #: 180 total cpu time spent up to now is 2188.0 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2200.9 secs Computing kpt #: 182 total cpu time spent up to now is 2214.4 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2227.2 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2240.0 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2252.8 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2265.7 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2278.5 secs Computing kpt #: 188 total cpu time spent up to now is 2291.1 secs Computing kpt #: 189 total cpu time spent up to now is 2302.4 secs Computing kpt #: 190 total cpu time spent up to now is 2310.6 secs Computing kpt #: 191 total cpu time spent up to now is 2319.0 secs Computing kpt #: 192 total cpu time spent up to now is 2327.5 secs Computing kpt #: 193 total cpu time spent up to now is 2336.1 secs Computing kpt #: 194 total cpu time spent up to now is 2344.6 secs Computing kpt #: 195 total cpu time spent up to now is 2353.3 secs Computing kpt #: 196 total cpu time spent up to now is 2362.5 secs Computing kpt #: 197 total cpu time spent up to now is 2371.9 secs Computing kpt #: 198 total cpu time spent up to now is 2381.2 secs Computing kpt #: 199 total cpu time spent up to now is 2390.4 secs Computing kpt #: 200 total cpu time spent up to now is 2399.8 secs Computing kpt #: 201 total cpu time spent up to now is 2409.2 secs Computing kpt #: 202 total cpu time spent up to now is 2418.9 secs Computing kpt #: 203 total cpu time spent up to now is 2428.7 secs Computing kpt #: 204 total cpu time spent up to now is 2438.2 secs Computing kpt #: 205 total cpu time spent up to now is 2448.0 secs Computing kpt #: 206 total cpu time spent up to now is 2457.7 secs Computing kpt #: 207 total cpu time spent up to now is 2468.1 secs Computing kpt #: 208 total cpu time spent up to now is 2478.9 secs Computing kpt #: 209 total cpu time spent up to now is 2490.0 secs Computing kpt #: 210 total cpu time spent up to now is 2501.1 secs Computing kpt #: 211 total cpu time spent up to now is 2515.4 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2527.9 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2540.4 secs Computing kpt #: 214 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 2552.8 secs Computing kpt #: 215 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 2565.4 secs Computing kpt #: 216 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 2578.0 secs Computing kpt #: 217 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 2590.6 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2602.4 secs ethr = 1.56E-11, avg # of iterations =100.8 total cpu time spent up to now is 2602.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7441 PWs) bands (ev): -10.3337 -10.3337 -9.9553 -9.9553 -9.9308 -9.9308 -9.9308 -9.9308 -4.5052 -4.5052 -3.9395 -3.9395 -3.9395 -3.9395 -3.9371 -3.9371 1.9977 1.9977 1.9977 1.9977 2.0007 2.0007 2.5636 2.5636 2.5733 2.5733 2.5733 2.5733 3.5216 3.5216 3.5216 3.5216 3.9197 3.9197 3.9197 3.9197 3.9361 3.9361 4.7627 4.7627 5.6825 5.6825 5.6825 5.6825 5.7012 5.7012 5.7309 5.7309 5.7309 5.7309 5.9669 5.9669 5.9788 5.9788 5.9788 5.9788 7.1610 7.1610 7.2832 7.2832 7.4004 7.4004 7.4004 7.4004 10.0122 10.0122 10.0122 10.0122 10.4357 10.4357 10.4385 10.4385 10.4385 10.4385 11.2050 11.2089 k = 0.0000 0.0179-0.0000 ( 7449 PWs) bands (ev): -10.3334 -10.3333 -9.9578 -9.9531 -9.9352 -9.9314 -9.9300 -9.9267 -4.5052 -4.5052 -3.9478 -3.9459 -3.9393 -3.9380 -3.9321 -3.9310 1.9935 1.9949 1.9991 1.9994 2.0060 2.0082 2.5632 2.5660 2.5722 2.5742 2.5757 2.5757 3.5176 3.5189 3.5221 3.5224 3.8965 3.9052 3.9228 3.9290 3.9411 3.9537 4.7618 4.7625 5.6580 5.6773 5.6801 5.6855 5.7066 5.7089 5.7139 5.7270 5.7360 5.7573 5.9656 5.9683 5.9766 5.9773 5.9815 5.9834 7.1599 7.1620 7.2806 7.2811 7.3962 7.3966 7.3991 7.3996 10.0122 10.0131 10.0131 10.0137 10.4335 10.4347 10.4384 10.4392 10.4417 10.4421 11.1809 11.2125 k = 0.0000 0.0357-0.0000 ( 7445 PWs) bands (ev): -10.3325 -10.3324 -9.9608 -9.9513 -9.9398 -9.9317 -9.9290 -9.9229 -4.5052 -4.5051 -3.9571 -3.9546 -3.9396 -3.9374 -3.9256 -3.9253 1.9930 1.9945 2.0003 2.0004 2.0183 2.0205 2.5642 2.5703 2.5727 2.5791 2.5795 2.5812 3.5098 3.5130 3.5212 3.5214 3.8714 3.8819 3.9248 3.9303 3.9603 3.9719 4.7598 4.7611 5.6319 5.6555 5.6754 5.6845 5.6917 5.7048 5.7267 5.7287 5.7496 5.7852 5.9645 5.9677 5.9758 5.9775 5.9864 5.9918 7.1587 7.1629 7.2729 7.2736 7.3845 7.3854 7.3961 7.3968 10.0131 10.0149 10.0163 10.0174 10.4303 10.4306 10.4418 10.4431 10.4473 10.4483 11.1534 11.1848 k = 0.0000 0.0536-0.0000 ( 7417 PWs) bands (ev): -10.3310 -10.3308 -9.9642 -9.9499 -9.9447 -9.9317 -9.9277 -9.9193 -4.5051 -4.5050 -3.9673 -3.9644 -3.9397 -3.9366 -3.9204 -3.9199 1.9961 1.9973 2.0021 2.0024 2.0351 2.0373 2.5661 2.5732 2.5775 2.5843 2.5884 2.5902 3.4982 3.5033 3.5190 3.5197 3.8445 3.8559 3.9274 3.9332 3.9775 3.9887 4.7567 4.7586 5.6067 5.6303 5.6674 5.6741 5.6828 5.6960 5.7302 5.7326 5.7737 5.8125 5.9624 5.9644 5.9768 5.9794 5.9948 6.0040 7.1572 7.1636 7.2589 7.2596 7.3670 7.3684 7.3916 7.3920 10.0149 10.0176 10.0216 10.0233 10.4260 10.4267 10.4449 10.4463 10.4572 10.4595 11.1235 11.1543 k = 0.0000 0.0714-0.0000 ( 7417 PWs) bands (ev): -10.3288 -10.3286 -9.9681 -9.9499 -9.9487 -9.9316 -9.9264 -9.9160 -4.5050 -4.5049 -3.9786 -3.9753 -3.9398 -3.9357 -3.9162 -3.9149 2.0021 2.0025 2.0052 2.0061 2.0562 2.0585 2.5691 2.5758 2.5851 2.5905 2.6018 2.6032 3.4832 3.4899 3.5159 3.5171 3.8160 3.8280 3.9301 3.9364 3.9928 4.0037 4.7523 4.7550 5.5828 5.6052 5.6546 5.6549 5.6795 5.6850 5.7346 5.7350 5.7982 5.8370 5.9588 5.9595 5.9809 5.9831 6.0066 6.0191 7.1553 7.1640 7.2365 7.2371 7.3459 7.3481 7.3854 7.3858 10.0175 10.0210 10.0290 10.0312 10.4208 10.4226 10.4480 10.4490 10.4716 10.4749 11.0922 11.1222 k = 0.0000 0.0893-0.0000 ( 7401 PWs) bands (ev): -10.3261 -10.3259 -9.9723 -9.9553 -9.9477 -9.9312 -9.9250 -9.9129 -4.5049 -4.5047 -3.9909 -3.9874 -3.9398 -3.9347 -3.9128 -3.9106 2.0063 2.0086 2.0121 2.0147 2.0817 2.0841 2.5733 2.5795 2.5939 2.5980 2.6191 2.6203 3.4653 3.4732 3.5118 3.5135 3.7863 3.7988 3.9325 3.9391 4.0062 4.0170 4.7467 4.7501 5.5605 5.5813 5.6323 5.6369 5.6743 5.6748 5.7370 5.7403 5.8202 5.8562 5.9539 5.9542 5.9894 5.9900 6.0211 6.0363 7.1520 7.1637 7.2042 7.2052 7.3238 7.3273 7.3771 7.3791 10.0209 10.0253 10.0382 10.0410 10.4149 10.4179 10.4512 10.4515 10.4898 10.4942 11.0605 11.0894 k = 0.0000 0.1071-0.0000 ( 7389 PWs) bands (ev): -10.3228 -10.3225 -9.9768 -9.9610 -9.9469 -9.9306 -9.9237 -9.9101 -4.5046 -4.5044 -4.0042 -4.0005 -3.9396 -3.9335 -3.9100 -3.9069 2.0105 2.0128 2.0247 2.0270 2.1117 2.1142 2.5786 2.5842 2.6038 2.6068 2.6402 2.6414 3.4450 3.4539 3.5069 3.5089 3.7555 3.7684 3.9339 3.9405 4.0179 4.0288 4.7397 4.7439 5.5399 5.5588 5.6072 5.6138 5.6643 5.6691 5.7402 5.7459 5.8377 5.8681 5.9481 5.9491 5.9993 6.0056 6.0374 6.0546 7.1399 7.1531 7.1708 7.1709 7.3021 7.3073 7.3675 7.3717 10.0250 10.0303 10.0490 10.0524 10.4083 10.4126 10.4538 10.4544 10.5112 10.5169 11.0290 11.0566 k = 0.0000 0.1250-0.0000 ( 7380 PWs) bands (ev): -10.3189 -10.3186 -9.9818 -9.9670 -9.9461 -9.9299 -9.9224 -9.9075 -4.5042 -4.5040 -4.0186 -4.0147 -3.9393 -3.9323 -3.9077 -3.9037 2.0155 2.0179 2.0400 2.0423 2.1458 2.1485 2.5849 2.5898 2.6150 2.6168 2.6651 2.6663 3.4227 3.4323 3.5010 3.5033 3.7241 3.7373 3.9334 3.9398 4.0280 4.0391 4.7313 4.7364 5.5211 5.5379 5.5791 5.5864 5.6552 5.6631 5.7439 5.7517 5.8496 5.8724 5.9427 5.9442 6.0140 6.0276 6.0548 6.0736 7.0964 7.1030 7.1580 7.1667 7.2805 7.2879 7.3569 7.3637 10.0298 10.0358 10.0612 10.0652 10.4011 10.4067 10.4558 10.4575 10.5353 10.5424 10.9982 11.0244 k = 0.0000 0.1429-0.0000 ( 7412 PWs) bands (ev): -10.3145 -10.3141 -9.9870 -9.9733 -9.9453 -9.9291 -9.9212 -9.9052 -4.5037 -4.5034 -4.0338 -4.0298 -3.9389 -3.9310 -3.9060 -3.9010 2.0213 2.0238 2.0581 2.0604 2.1840 2.1869 2.5920 2.5962 2.6274 2.6281 2.6937 2.6949 3.3987 3.4088 3.4941 3.4967 3.6926 3.7060 3.9304 3.9364 4.0367 4.0480 4.7213 4.7275 5.5038 5.5182 5.5482 5.5553 5.6471 5.6574 5.7480 5.7573 5.8557 5.8707 5.9382 5.9399 6.0333 6.0543 6.0726 6.0926 7.0358 7.0412 7.1540 7.1659 7.2586 7.2684 7.3455 7.3550 10.0351 10.0419 10.0746 10.0792 10.3932 10.4001 10.4576 10.4604 10.5616 10.5703 10.9687 10.9932 k = 0.0000 0.1607-0.0000 ( 7412 PWs) bands (ev): -10.3095 -10.3091 -9.9926 -9.9798 -9.9446 -9.9281 -9.9201 -9.9032 -4.5029 -4.5026 -4.0499 -4.0459 -3.9384 -3.9296 -3.9047 -3.8987 2.0281 2.0306 2.0787 2.0810 2.2260 2.2290 2.5998 2.6033 2.6407 2.6411 2.7257 2.7270 3.3733 3.3839 3.4862 3.4890 3.6614 3.6750 3.9244 3.9298 4.0442 4.0558 4.7098 4.7170 5.4872 5.4976 5.5165 5.5215 5.6406 5.6528 5.7519 5.7626 5.8566 5.8648 5.9352 5.9367 6.0564 6.0833 6.0906 6.1110 6.9679 6.9731 7.1511 7.1651 7.2362 7.2482 7.3336 7.3456 10.0409 10.0484 10.0890 10.0942 10.3847 10.3929 10.4590 10.4629 10.5895 10.6000 10.9407 10.9634 k = 0.0000 0.1786-0.0000 ( 7428 PWs) bands (ev): -10.3040 -10.3036 -9.9985 -9.9866 -9.9438 -9.9271 -9.9191 -9.9013 -4.5019 -4.5016 -4.0668 -4.0628 -3.9378 -3.9281 -3.9038 -3.8968 2.0359 2.0384 2.1018 2.1041 2.2712 2.2744 2.6080 2.6106 2.6549 2.6562 2.7612 2.7625 3.3470 3.3579 3.4771 3.4801 3.6312 3.6448 3.9149 3.9194 4.0506 4.0626 4.6967 4.7048 5.4666 5.4673 5.4895 5.4923 5.6360 5.6500 5.7554 5.7671 5.8537 5.8560 5.9341 5.9352 6.0818 6.1061 6.1151 6.1285 6.8954 6.9006 7.1483 7.1639 7.2131 7.2269 7.3211 7.3354 10.0470 10.0553 10.1040 10.1100 10.3757 10.3851 10.4598 10.4646 10.6182 10.6308 10.9148 10.9354 k = 0.0000 0.1964-0.0000 ( 7436 PWs) bands (ev): -10.2980 -10.2976 -10.0047 -9.9936 -9.9431 -9.9259 -9.9183 -9.8998 -4.5006 -4.5002 -4.0844 -4.0804 -3.9371 -3.9266 -3.9032 -3.8953 2.0447 2.0472 2.1273 2.1295 2.3193 2.3227 2.6161 2.6180 2.6708 2.6729 2.7999 2.8012 3.3198 3.3310 3.4669 3.4699 3.6026 3.6161 3.9016 3.9050 4.0561 4.0686 4.6817 4.6909 5.4272 5.4316 5.4694 5.4755 5.6339 5.6493 5.7581 5.7707 5.8452 5.8483 5.9351 5.9354 6.1080 6.1220 6.1446 6.1453 6.8206 6.8258 7.1452 7.1623 7.1897 7.2047 7.3082 7.3243 10.0536 10.0624 10.1195 10.1263 10.3661 10.3767 10.4599 10.4654 10.6472 10.6621 10.8911 10.9095 k = 0.0000 0.2143-0.0000 ( 7436 PWs) bands (ev): -10.2915 -10.2911 -10.0112 -10.0009 -9.9423 -9.9247 -9.9177 -9.8984 -4.4989 -4.4985 -4.1026 -4.0987 -3.9363 -3.9250 -3.9029 -3.8941 2.0547 2.0571 2.1549 2.1571 2.3696 2.3731 2.6237 2.6248 2.6888 2.6915 2.8415 2.8429 3.2920 3.3034 3.4553 3.4586 3.5764 3.5895 3.8844 3.8865 4.0609 4.0738 4.6649 4.6751 5.3825 5.3876 5.4555 5.4603 5.6346 5.6513 5.7601 5.7734 5.8332 5.8415 5.9374 5.9381 6.1338 6.1359 6.1589 6.1744 6.7457 6.7509 7.1417 7.1603 7.1660 7.1817 7.2948 7.3123 10.0604 10.0698 10.1354 10.1431 10.3562 10.3678 10.4590 10.4650 10.6756 10.6932 10.8700 10.8861 k = 0.0000 0.2321-0.0000 ( 7440 PWs) bands (ev): -10.2846 -10.2842 -10.0180 -10.0084 -9.9414 -9.9234 -9.9172 -9.8972 -4.4969 -4.4964 -4.1213 -4.1174 -3.9355 -3.9233 -3.9029 -3.8931 2.0659 2.0681 2.1847 2.1868 2.4213 2.4249 2.6302 2.6307 2.7092 2.7124 2.8860 2.8872 3.2638 3.2754 3.4424 3.4460 3.5535 3.5659 3.8633 3.8639 4.0652 4.0785 4.6461 4.6573 5.3343 5.3395 5.4423 5.4448 5.6383 5.6561 5.7612 5.7752 5.8207 5.8341 5.9411 5.9429 6.1478 6.1575 6.1710 6.2006 6.6735 6.6784 7.1362 7.1440 7.1564 7.1594 7.2809 7.2993 10.0674 10.0774 10.1514 10.1600 10.3459 10.3585 10.4572 10.4631 10.7028 10.7236 10.8518 10.8656 k = 0.0000 0.2500-0.0000 ( 7448 PWs) bands (ev): -10.2772 -10.2769 -10.0250 -10.0162 -9.9405 -9.9220 -9.9168 -9.8963 -4.4944 -4.4938 -4.1404 -4.1366 -3.9345 -3.9216 -3.9031 -3.8924 2.0784 2.0804 2.2163 2.2183 2.4734 2.4768 2.6350 2.6351 2.7328 2.7363 2.9327 2.9338 3.2356 3.2474 3.4281 3.4323 3.5346 3.5458 3.8374 3.8385 4.0691 4.0828 4.6252 4.6373 5.2835 5.2885 5.4276 5.4278 5.6450 5.6638 5.7618 5.7764 5.8085 5.8271 5.9461 5.9491 6.1573 6.1770 6.1805 6.2212 6.6081 6.6117 7.1171 7.1336 7.1354 7.1552 7.2666 7.2854 10.0746 10.0851 10.1672 10.1770 10.3354 10.3487 10.4543 10.4596 10.7280 10.7528 10.8367 10.8484 k = 0.0000 0.2679-0.0000 ( 7444 PWs) bands (ev): -10.2695 -10.2691 -10.0324 -10.0243 -9.9396 -9.9206 -9.9167 -9.8956 -4.4914 -4.4907 -4.1597 -4.1560 -3.9335 -3.9199 -3.9034 -3.8919 2.0921 2.0938 2.2498 2.2516 2.5245 2.5276 2.6373 2.6379 2.7602 2.7639 2.9810 2.9819 3.2079 3.2199 3.4122 3.4174 3.5209 3.5302 3.8074 3.8104 4.0726 4.0866 4.6023 4.6151 5.2304 5.2352 5.4073 5.4102 5.6548 5.6745 5.7621 5.7772 5.7975 5.8214 5.9519 5.9564 6.1642 6.1857 6.1901 6.2320 6.5549 6.5557 7.0941 7.1092 7.1308 7.1517 7.2520 7.2704 10.0819 10.0929 10.1829 10.1938 10.3248 10.3387 10.4502 10.4544 10.7500 10.7802 10.8251 10.8356 k = 0.0000 0.2857-0.0000 ( 7428 PWs) bands (ev): -10.2613 -10.2611 -10.0400 -10.0326 -9.9386 -9.9191 -9.9166 -9.8951 -4.4878 -4.4871 -4.1792 -4.1755 -3.9324 -3.9182 -3.9040 -3.8916 2.1071 2.1085 2.2848 2.2863 2.5732 2.5754 2.6376 2.6384 2.7920 2.7961 3.0291 3.0296 3.1822 3.1944 3.3947 3.4013 3.5132 3.5200 3.7743 3.7793 4.0759 4.0900 4.5773 4.5907 5.1757 5.1804 5.3824 5.3878 5.6676 5.6880 5.7623 5.7778 5.7889 5.8177 5.9582 5.9641 6.1683 6.1835 6.1955 6.2273 6.5158 6.5209 7.0714 7.0845 7.1261 7.1480 7.2370 7.2546 10.0894 10.1008 10.1981 10.2103 10.3141 10.3284 10.4451 10.4477 10.7667 10.8026 10.8199 10.8290 k = 0.0000 0.3036-0.0000 ( 7432 PWs) bands (ev): -10.2529 -10.2527 -10.0479 -10.0411 -9.9376 -9.9176 -9.9167 -9.8947 -4.4837 -4.4828 -4.1987 -4.1951 -3.9313 -3.9165 -3.9046 -3.8915 2.1235 2.1245 2.3211 2.3222 2.6140 2.6155 2.6392 2.6405 2.8285 2.8332 3.0701 3.0708 3.1652 3.1768 3.3756 3.3838 3.5121 3.5160 3.7387 3.7457 4.0789 4.0930 4.5503 4.5642 5.1202 5.1248 5.3515 5.3591 5.6829 5.7039 5.7630 5.7784 5.7838 5.8167 5.9644 5.9718 6.1679 6.1694 6.1966 6.2053 6.4959 6.5094 7.0492 7.0598 7.1212 7.1438 7.2219 7.2380 10.0971 10.1088 10.2127 10.2263 10.3035 10.3180 10.4389 10.4396 10.7753 10.8058 10.8312 10.8353 k = 0.0000 0.3214-0.0000 ( 7432 PWs) bands (ev): -10.2441 -10.2440 -10.0560 -10.0498 -9.9365 -9.9169 -9.9161 -9.8946 -4.4789 -4.4779 -4.2181 -4.2147 -3.9301 -3.9148 -3.9054 -3.8916 2.1412 2.1418 2.3584 2.3590 2.6198 2.6246 2.6666 2.6692 2.8695 2.8750 3.0820 3.0863 3.1782 3.1851 3.3554 3.3648 3.5184 3.5189 3.7012 3.7104 4.0816 4.0955 4.5215 4.5356 5.0647 5.0692 5.3138 5.3228 5.7004 5.7215 5.7646 5.7790 5.7833 5.8186 5.9700 5.9791 6.1398 6.1668 6.1715 6.1948 6.4946 6.5164 7.0275 7.0351 7.1161 7.1394 7.2069 7.2208 10.1048 10.1170 10.2264 10.2416 10.2932 10.3074 10.4305 10.4320 10.7772 10.8036 10.8408 10.8573 k = 0.0000 0.3393-0.0000 ( 7436 PWs) bands (ev): -10.2350 -10.2350 -10.0644 -10.0587 -9.9354 -9.9173 -9.9145 -9.8946 -4.4734 -4.4723 -4.2373 -4.2340 -3.9289 -3.9130 -3.9063 -3.8918 2.1602 2.1605 2.3960 2.3961 2.6113 2.6167 2.7046 2.7056 2.9139 2.9205 3.0642 3.0715 3.2205 3.2220 3.3357 3.3450 3.5289 3.5322 3.6629 3.6739 4.0838 4.0974 4.4908 4.5050 5.0103 5.0147 5.2691 5.2788 5.7190 5.7388 5.7687 5.7807 5.7870 5.8238 5.9748 5.9854 6.1055 6.1317 6.1625 6.1900 6.5067 6.5349 7.0065 7.0102 7.1110 7.1348 7.1921 7.2032 10.1127 10.1252 10.2387 10.2563 10.2836 10.2968 10.4206 10.4244 10.7767 10.8034 10.8530 10.8787 k = 0.0000 0.3571-0.0000 ( 7440 PWs) bands (ev): -10.2258 -10.2257 -10.0730 -10.0679 -9.9342 -9.9178 -9.9130 -9.8948 -4.4671 -4.4660 -4.2563 -4.2531 -3.9277 -3.9113 -3.9073 -3.8922 2.1804 2.1806 2.4321 2.4331 2.5996 2.6059 2.7406 2.7413 2.9597 2.9678 3.0381 3.0458 3.2569 3.2647 3.3269 3.3303 3.5448 3.5533 3.6253 3.6371 4.0855 4.0985 4.4584 4.4725 4.9581 4.9625 5.2179 5.2277 5.7374 5.7518 5.7785 5.7841 5.7954 5.8325 5.9782 5.9905 6.0705 6.0934 6.1543 6.1823 6.5271 6.5597 6.9851 6.9858 7.1059 7.1302 7.1778 7.1857 10.1207 10.1336 10.2482 10.2700 10.2762 10.2863 10.4103 10.4164 10.7768 10.8055 10.8645 10.8988 k = 0.0000 0.3750-0.0000 ( 7440 PWs) bands (ev): -10.2164 -10.2162 -10.0818 -10.0772 -9.9331 -9.9183 -9.9114 -9.8952 -4.4601 -4.4588 -4.2748 -4.2717 -3.9264 -3.9097 -3.9083 -3.8927 2.2017 2.2023 2.4649 2.4672 2.5881 2.5954 2.7743 2.7766 2.9961 3.0087 3.0189 3.0236 3.2549 3.2730 3.3513 3.3552 3.5573 3.5806 3.5982 3.6013 4.0865 4.0988 4.4243 4.4382 4.9095 4.9140 5.1616 5.1710 5.7534 5.7591 5.7888 5.7936 5.8097 5.8450 5.9801 5.9940 6.0388 6.0588 6.1433 6.1716 6.5523 6.5879 6.9597 6.9653 7.1011 7.1256 7.1643 7.1684 10.1288 10.1420 10.2503 10.2755 10.2757 10.2830 10.3999 10.4081 10.7784 10.8098 10.8734 10.9173 k = 0.0000 0.3929-0.0000 ( 7432 PWs) bands (ev): -10.2069 -10.2065 -10.0908 -10.0867 -9.9319 -9.9190 -9.9099 -9.8957 -4.4523 -4.4509 -4.2929 -4.2899 -3.9251 -3.9095 -3.9080 -3.8933 2.2241 2.2252 2.4885 2.4912 2.5840 2.5914 2.8074 2.8114 2.9741 2.9837 3.0563 3.0649 3.2305 3.2499 3.4003 3.4017 3.5363 3.5673 3.6113 3.6138 4.0871 4.0983 4.3887 4.4022 4.8662 4.8708 5.1021 5.1108 5.7642 5.7659 5.7949 5.8082 5.8297 5.8622 5.9802 5.9950 6.0131 6.0294 6.1294 6.1582 6.5803 6.6180 6.9339 6.9446 7.0966 7.1212 7.1520 7.1520 10.1370 10.1507 10.2443 10.2653 10.2822 10.2949 10.3895 10.3997 10.7819 10.8163 10.8785 10.9331 k = 0.0000 0.4107-0.0000 ( 7440 PWs) bands (ev): -10.1972 -10.1967 -10.1000 -10.0964 -9.9307 -9.9198 -9.9083 -9.8964 -4.4436 -4.4421 -4.3104 -4.3075 -3.9237 -3.9106 -3.9064 -3.8941 2.2478 2.2493 2.4934 2.4944 2.5986 2.6036 2.8406 2.8462 2.9433 2.9519 3.1003 3.1105 3.1999 3.2195 3.4411 3.4447 3.5106 3.5453 3.6408 3.6486 4.0876 4.0976 4.3516 4.3644 4.8299 4.8347 5.0414 5.0495 5.7693 5.7753 5.8017 5.8185 5.8539 5.8836 5.9781 5.9890 5.9996 6.0061 6.1129 6.1421 6.6099 6.6489 6.9074 6.9234 7.0927 7.1173 7.1368 7.1409 10.1454 10.1594 10.2356 10.2549 10.2911 10.3059 10.3794 10.3914 10.7872 10.8246 10.8790 10.9431 k = 0.0000 0.4286-0.0000 ( 7440 PWs) bands (ev): -10.1875 -10.1867 -10.1093 -10.1061 -9.9295 -9.9207 -9.9068 -9.8971 -4.4341 -4.4325 -4.3272 -4.3245 -3.9224 -3.9118 -3.9049 -3.8949 2.2725 2.2744 2.4800 2.4812 2.6287 2.6307 2.8741 2.8799 2.9130 2.9190 3.1430 3.1516 3.1692 3.1857 3.4424 3.4467 3.5297 3.5570 3.6711 3.6822 4.0895 4.0981 4.3130 4.3250 4.8024 4.8075 4.9821 4.9895 5.7749 5.7830 5.8080 5.8236 5.8804 5.9073 5.9736 5.9790 5.9898 5.9961 6.0939 6.1237 6.6405 6.6801 6.8803 6.9013 7.0896 7.1140 7.1232 7.1315 10.1539 10.1683 10.2263 10.2447 10.3001 10.3161 10.3696 10.3832 10.7943 10.8347 10.8752 10.9423 k = 0.0000 0.4464-0.0000 ( 7444 PWs) bands (ev): -10.1776 -10.1766 -10.1189 -10.1160 -9.9283 -9.9216 -9.9054 -9.8980 -4.4237 -4.4220 -4.3434 -4.3409 -3.9211 -3.9131 -3.9034 -3.8959 2.2981 2.3005 2.4580 2.4604 2.6644 2.6647 2.8748 2.8841 2.9096 2.9215 3.1292 3.1496 3.1842 3.1984 3.4101 3.4221 3.5763 3.5965 3.6958 3.7094 4.0951 4.1024 4.2733 4.2843 4.7854 4.7907 4.9266 4.9336 5.7813 5.7899 5.8123 5.8235 5.9074 5.9303 5.9682 5.9769 5.9798 5.9927 6.0728 6.1031 6.6715 6.7111 6.8524 6.8780 7.0875 7.1115 7.1116 7.1237 10.1625 10.1773 10.2169 10.2346 10.3088 10.3257 10.3602 10.3751 10.8029 10.8462 10.8678 10.9322 k = 0.0000 0.4643-0.0000 ( 7452 PWs) bands (ev): -10.1677 -10.1665 -10.1285 -10.1260 -9.9271 -9.9226 -9.9040 -9.8991 -4.4125 -4.4106 -4.3589 -4.3564 -3.9197 -3.9144 -3.9019 -3.8969 2.3246 2.3273 2.4328 2.4358 2.7003 2.7024 2.8421 2.8498 2.9446 2.9577 3.0927 3.1120 3.2239 3.2388 3.3741 3.3889 3.6223 3.6401 3.7095 3.7249 4.1074 4.1139 4.2333 4.2430 4.7800 4.7856 4.8774 4.8840 5.7884 5.7965 5.8137 5.8193 5.9326 5.9485 5.9665 5.9730 5.9811 5.9926 6.0498 6.0807 6.7027 6.7416 6.8237 6.8534 7.0868 7.1023 7.1099 7.1176 10.1712 10.1865 10.2075 10.2247 10.3174 10.3346 10.3512 10.3671 10.8128 10.8579 10.8591 10.9182 k = 0.0000 0.4821-0.0000 ( 7464 PWs) bands (ev): -10.1579 -10.1564 -10.1382 -10.1361 -9.9259 -9.9237 -9.9026 -9.9002 -4.4004 -4.3983 -4.3735 -4.3712 -3.9184 -3.9157 -3.9006 -3.8980 2.3516 2.3546 2.4062 2.4093 2.7365 2.7402 2.8077 2.8141 2.9809 2.9957 3.0554 3.0734 3.2624 3.2780 3.3373 3.3532 3.6620 3.6791 3.7083 3.7248 4.1286 4.1350 4.1942 4.2026 4.7869 4.7928 4.8366 4.8429 5.7962 5.8028 5.8122 5.8124 5.9499 5.9605 5.9645 5.9772 5.9788 6.0092 6.0255 6.0569 6.7336 6.7713 6.7943 6.8274 7.0877 7.0952 7.1096 7.1133 10.1801 10.1958 10.1983 10.2149 10.3258 10.3426 10.3430 10.3592 10.8237 10.8468 10.8731 10.9031 k = 0.0000 0.5000-0.0000 ( 7464 PWs) bands (ev): -10.1480 -10.1480 -10.1462 -10.1462 -9.9248 -9.9248 -9.9014 -9.9014 -4.3874 -4.3874 -4.3852 -4.3852 -3.9170 -3.9170 -3.8993 -3.8993 2.3789 2.3789 2.3821 2.3821 2.7724 2.7724 2.7776 2.7776 3.0180 3.0180 3.0345 3.0345 3.3001 3.3001 3.3161 3.3161 3.6918 3.6918 3.7086 3.7086 4.1584 4.1584 4.1655 4.1655 4.8060 4.8060 4.8121 4.8121 5.8044 5.8044 5.8082 5.8082 5.9581 5.9581 5.9696 5.9696 6.0007 6.0007 6.0325 6.0325 6.7642 6.7642 6.8000 6.8000 7.0904 7.0904 7.1107 7.1107 10.1891 10.1891 10.2053 10.2053 10.3341 10.3341 10.3512 10.3512 10.8352 10.8352 10.8878 10.8878 k = 0.0000 0.5000-0.0000 ( 7464 PWs) bands (ev): -10.1480 -10.1480 -10.1462 -10.1462 -9.9248 -9.9248 -9.9014 -9.9014 -4.3874 -4.3874 -4.3852 -4.3852 -3.9170 -3.9170 -3.8993 -3.8993 2.3789 2.3789 2.3821 2.3821 2.7724 2.7724 2.7776 2.7776 3.0180 3.0180 3.0345 3.0345 3.3001 3.3001 3.3161 3.3161 3.6918 3.6918 3.7086 3.7086 4.1584 4.1584 4.1655 4.1655 4.8060 4.8060 4.8121 4.8121 5.8044 5.8044 5.8082 5.8082 5.9581 5.9581 5.9696 5.9696 6.0007 6.0007 6.0325 6.0325 6.7642 6.7642 6.8000 6.8000 7.0904 7.0904 7.1107 7.1107 10.1891 10.1891 10.2053 10.2053 10.3341 10.3341 10.3512 10.3512 10.8352 10.8352 10.8878 10.8878 k = 0.0179 0.5000-0.0000 ( 7464 PWs) bands (ev): -10.1479 -10.1479 -10.1461 -10.1461 -9.9249 -9.9249 -9.9015 -9.9015 -4.3872 -4.3872 -4.3851 -4.3851 -3.9175 -3.9175 -3.8997 -3.8997 2.3801 2.3801 2.3833 2.3833 2.7727 2.7727 2.7778 2.7778 3.0168 3.0168 3.0334 3.0334 3.3016 3.3016 3.3177 3.3177 3.6924 3.6924 3.7093 3.7093 4.1589 4.1589 4.1661 4.1661 4.8066 4.8066 4.8126 4.8126 5.7941 5.7941 5.8033 5.8033 5.9575 5.9575 5.9716 5.9716 6.0049 6.0049 6.0369 6.0369 6.7633 6.7633 6.7995 6.7995 7.0882 7.0882 7.1090 7.1090 10.1894 10.1894 10.2054 10.2054 10.3339 10.3339 10.3511 10.3511 10.8355 10.8355 10.8887 10.8887 k = 0.0357 0.5000-0.0000 ( 7458 PWs) bands (ev): -10.1477 -10.1477 -10.1455 -10.1455 -9.9252 -9.9252 -9.9018 -9.9018 -4.3869 -4.3869 -4.3846 -4.3846 -3.9188 -3.9188 -3.9011 -3.9011 2.3834 2.3834 2.3869 2.3869 2.7736 2.7736 2.7787 2.7787 3.0136 3.0136 3.0302 3.0302 3.3061 3.3061 3.3222 3.3222 3.6943 3.6943 3.7114 3.7114 4.1604 4.1604 4.1677 4.1677 4.8084 4.8084 4.8144 4.8144 5.7707 5.7707 5.7857 5.7857 5.9558 5.9558 5.9738 5.9738 6.0171 6.0171 6.0491 6.0491 6.7606 6.7606 6.7979 6.7979 7.0818 7.0818 7.1042 7.1042 10.1900 10.1900 10.2055 10.2055 10.3336 10.3336 10.3509 10.3509 10.8365 10.8365 10.8912 10.8912 k = 0.0536 0.5000-0.0000 ( 7456 PWs) bands (ev): -10.1472 -10.1472 -10.1447 -10.1447 -9.9256 -9.9256 -9.9023 -9.9023 -4.3862 -4.3862 -4.3838 -4.3838 -3.9210 -3.9210 -3.9033 -3.9033 2.3890 2.3890 2.3929 2.3929 2.7751 2.7751 2.7801 2.7801 3.0087 3.0087 3.0252 3.0252 3.3132 3.3132 3.3292 3.3292 3.6973 3.6973 3.7147 3.7147 4.1629 4.1629 4.1704 4.1704 4.8115 4.8115 4.8172 4.8172 5.7399 5.7399 5.7588 5.7588 5.9526 5.9526 5.9728 5.9728 6.0352 6.0352 6.0664 6.0664 6.7558 6.7558 6.7951 6.7951 7.0714 7.0714 7.0964 7.0964 10.1908 10.1908 10.2055 10.2055 10.3331 10.3331 10.3506 10.3506 10.8380 10.8380 10.8951 10.8951 k = 0.0714 0.5000-0.0000 ( 7452 PWs) bands (ev): -10.1465 -10.1465 -10.1436 -10.1436 -9.9262 -9.9262 -9.9030 -9.9030 -4.3853 -4.3853 -4.3828 -4.3828 -3.9241 -3.9241 -3.9064 -3.9064 2.3968 2.3968 2.4012 2.4012 2.7772 2.7772 2.7820 2.7820 3.0025 3.0025 3.0190 3.0190 3.3225 3.3225 3.3383 3.3383 3.7014 3.7014 3.7192 3.7192 4.1667 4.1667 4.1742 4.1742 4.8156 4.8156 4.8210 4.8210 5.7050 5.7050 5.7265 5.7265 5.9475 5.9475 5.9689 5.9689 6.0553 6.0553 6.0857 6.0857 6.7488 6.7488 6.7905 6.7905 7.0577 7.0577 7.0862 7.0862 10.1914 10.1914 10.2052 10.2052 10.3328 10.3328 10.3504 10.3504 10.8395 10.8395 10.8999 10.8999 k = 0.0893 0.5000-0.0000 ( 7448 PWs) bands (ev): -10.1456 -10.1456 -10.1422 -10.1422 -9.9270 -9.9270 -9.9040 -9.9040 -4.3842 -4.3842 -4.3814 -4.3814 -3.9279 -3.9279 -3.9104 -3.9104 2.4067 2.4067 2.4116 2.4116 2.7798 2.7798 2.7844 2.7844 2.9957 2.9957 3.0120 3.0120 3.3333 3.3333 3.3490 3.3490 3.7063 3.7063 3.7245 3.7245 4.1716 4.1716 4.1794 4.1794 4.8207 4.8207 4.8258 4.8258 5.6682 5.6682 5.6915 5.6915 5.9407 5.9407 5.9627 5.9627 6.0751 6.0751 6.1048 6.1048 6.7390 6.7390 6.7835 6.7835 7.0415 7.0415 7.0740 7.0740 10.1915 10.1915 10.2042 10.2042 10.3330 10.3330 10.3505 10.3505 10.8407 10.8407 10.9047 10.9047 k = 0.1071 0.5000-0.0000 ( 7438 PWs) bands (ev): -10.1445 -10.1445 -10.1405 -10.1405 -9.9279 -9.9279 -9.9051 -9.9051 -4.3827 -4.3827 -4.3797 -4.3797 -3.9326 -3.9326 -3.9152 -3.9152 2.4187 2.4187 2.4241 2.4241 2.7830 2.7830 2.7872 2.7872 2.9887 2.9887 3.0047 3.0047 3.3452 3.3452 3.3606 3.3606 3.7118 3.7118 3.7303 3.7303 4.1779 4.1779 4.1859 4.1859 4.8267 4.8267 4.8314 4.8314 5.6307 5.6307 5.6554 5.6554 5.9323 5.9323 5.9546 5.9546 6.0931 6.0931 6.1224 6.1224 6.7262 6.7262 6.7735 6.7735 7.0237 7.0237 7.0606 7.0606 10.1906 10.1906 10.2024 10.2024 10.3338 10.3338 10.3510 10.3510 10.8407 10.8407 10.9082 10.9082 k = 0.1250 0.5000-0.0000 ( 7442 PWs) bands (ev): -10.1431 -10.1431 -10.1387 -10.1387 -9.9290 -9.9290 -9.9064 -9.9064 -4.3811 -4.3811 -4.3778 -4.3778 -3.9380 -3.9380 -3.9207 -3.9207 2.4325 2.4325 2.4384 2.4384 2.7867 2.7867 2.7904 2.7904 2.9820 2.9820 2.9976 2.9976 3.3579 3.3579 3.3728 3.3728 3.7175 3.7175 3.7364 3.7364 4.1857 4.1857 4.1939 4.1939 4.8332 4.8332 4.8376 4.8376 5.5939 5.5939 5.6196 5.6196 5.9223 5.9223 5.9448 5.9448 6.1084 6.1084 6.1374 6.1374 6.7101 6.7101 6.7599 6.7599 7.0053 7.0053 7.0464 7.0464 10.1885 10.1885 10.1995 10.1995 10.3355 10.3355 10.3521 10.3521 10.8390 10.8390 10.9082 10.9082 k = 0.1429 0.5000-0.0000 ( 7450 PWs) bands (ev): -10.1415 -10.1415 -10.1366 -10.1366 -9.9303 -9.9303 -9.9079 -9.9079 -4.3791 -4.3791 -4.3756 -4.3756 -3.9441 -3.9441 -3.9270 -3.9270 2.4481 2.4481 2.4545 2.4545 2.7908 2.7908 2.7939 2.7939 2.9761 2.9761 2.9911 2.9911 3.3710 3.3710 3.3854 3.3854 3.7231 3.7231 3.7423 3.7423 4.1950 4.1950 4.2034 4.2034 4.8401 4.8401 4.8442 4.8442 5.5587 5.5587 5.5851 5.5851 5.9107 5.9107 5.9333 5.9333 6.1205 6.1205 6.1493 6.1493 6.6906 6.6906 6.7420 6.7420 6.9873 6.9873 7.0321 7.0321 10.1850 10.1850 10.1954 10.1954 10.3378 10.3378 10.3538 10.3538 10.8349 10.8349 10.9030 10.9030 k = 0.1607 0.5000-0.0000 ( 7452 PWs) bands (ev): -10.1397 -10.1397 -10.1344 -10.1344 -9.9316 -9.9316 -9.9096 -9.9096 -4.3769 -4.3769 -4.3731 -4.3731 -3.9508 -3.9508 -3.9339 -3.9339 2.4653 2.4653 2.4721 2.4721 2.7952 2.7952 2.7976 2.7976 2.9711 2.9711 2.9853 2.9853 3.3844 3.3844 3.3980 3.3980 3.7282 3.7282 3.7477 3.7477 4.2059 4.2059 4.2145 4.2145 4.8468 4.8468 4.8508 4.8508 5.5260 5.5260 5.5530 5.5530 5.8977 5.8977 5.9204 5.9204 6.1288 6.1288 6.1576 6.1576 6.6681 6.6681 6.7200 6.7200 6.9702 6.9702 7.0179 7.0179 10.1801 10.1801 10.1903 10.1903 10.3408 10.3408 10.3560 10.3560 10.8282 10.8282 10.8924 10.8924 k = 0.1786 0.5000-0.0000 ( 7452 PWs) bands (ev): -10.1377 -10.1377 -10.1320 -10.1320 -9.9331 -9.9331 -9.9115 -9.9115 -4.3744 -4.3744 -4.3704 -4.3704 -3.9581 -3.9581 -3.9414 -3.9414 2.4839 2.4839 2.4910 2.4910 2.7998 2.7998 2.8015 2.8015 2.9673 2.9673 2.9806 2.9806 3.3978 3.3978 3.4107 3.4107 3.7326 3.7326 3.7522 3.7522 4.2183 4.2183 4.2270 4.2270 4.8532 4.8532 4.8573 4.8573 5.4968 5.4968 5.5242 5.5242 5.8833 5.8833 5.9060 5.9060 6.1331 6.1331 6.1619 6.1619 6.6429 6.6429 6.6942 6.6942 6.9543 6.9543 7.0037 7.0037 10.1742 10.1742 10.1843 10.1843 10.3442 10.3442 10.3586 10.3586 10.8192 10.8192 10.8780 10.8780 k = 0.1964 0.5000-0.0000 ( 7462 PWs) bands (ev): -10.1356 -10.1356 -10.1294 -10.1294 -9.9347 -9.9347 -9.9135 -9.9135 -4.3717 -4.3717 -4.3674 -4.3674 -3.9658 -3.9658 -3.9494 -3.9494 2.5036 2.5036 2.5110 2.5110 2.8042 2.8042 2.8058 2.8058 2.9648 2.9648 2.9771 2.9771 3.4113 3.4113 3.4233 3.4233 3.7360 3.7360 3.7555 3.7555 4.2320 4.2320 4.2408 4.2408 4.8588 4.8588 4.8632 4.8632 5.4720 5.4720 5.4996 5.4996 5.8675 5.8675 5.8902 5.8902 6.1330 6.1330 6.1618 6.1618 6.6161 6.6161 6.6656 6.6656 6.9392 6.9392 6.9896 6.9896 10.1676 10.1676 10.1777 10.1777 10.3476 10.3476 10.3613 10.3613 10.8083 10.8083 10.8614 10.8614 k = 0.2143 0.5000-0.0000 ( 7456 PWs) bands (ev): -10.1332 -10.1332 -10.1267 -10.1267 -9.9364 -9.9364 -9.9157 -9.9157 -4.3687 -4.3687 -4.3642 -4.3642 -3.9740 -3.9740 -3.9579 -3.9579 2.5243 2.5243 2.5319 2.5319 2.8081 2.8081 2.8107 2.8107 2.9637 2.9637 2.9750 2.9750 3.4248 3.4248 3.4359 3.4359 3.7381 3.7381 3.7575 3.7575 4.2467 4.2467 4.2555 4.2555 4.8633 4.8633 4.8682 4.8682 5.4523 5.4523 5.4799 5.4799 5.8505 5.8505 5.8732 5.8732 6.1283 6.1283 6.1570 6.1570 6.5885 6.5885 6.6354 6.6354 6.9246 6.9246 6.9751 6.9751 10.1605 10.1605 10.1708 10.1708 10.3508 10.3508 10.3641 10.3641 10.7960 10.7960 10.8439 10.8439 k = 0.2321 0.5000-0.0000 ( 7454 PWs) bands (ev): -10.1308 -10.1308 -10.1240 -10.1240 -9.9381 -9.9381 -9.9180 -9.9180 -4.3655 -4.3655 -4.3608 -4.3608 -3.9825 -3.9825 -3.9667 -3.9667 2.5458 2.5458 2.5535 2.5535 2.8117 2.8117 2.8156 2.8156 2.9639 2.9639 2.9742 2.9742 3.4383 3.4383 3.4484 3.4484 3.7391 3.7391 3.7581 3.7581 4.2619 4.2619 4.2706 4.2706 4.8669 4.8669 4.8722 4.8722 5.4384 5.4384 5.4656 5.4656 5.8322 5.8322 5.8550 5.8550 6.1189 6.1189 6.1474 6.1474 6.5611 6.5611 6.6048 6.6048 6.9101 6.9101 6.9600 6.9600 10.1532 10.1532 10.1639 10.1639 10.3537 10.3537 10.3667 10.3667 10.7829 10.7829 10.8261 10.8261 k = 0.2500 0.5000-0.0000 ( 7428 PWs) bands (ev): -10.1282 -10.1282 -10.1211 -10.1211 -9.9399 -9.9399 -9.9204 -9.9204 -4.3620 -4.3620 -4.3572 -4.3572 -3.9912 -3.9912 -3.9758 -3.9758 2.5677 2.5677 2.5756 2.5756 2.8150 2.8150 2.8205 2.8205 2.9653 2.9653 2.9749 2.9749 3.4516 3.4516 3.4608 3.4608 3.7390 3.7390 3.7575 3.7575 4.2769 4.2769 4.2854 4.2854 4.8695 4.8695 4.8754 4.8754 5.4304 5.4304 5.4569 5.4569 5.8130 5.8130 5.8358 5.8358 6.1047 6.1047 6.1330 6.1330 6.5347 6.5347 6.5750 6.5750 6.8952 6.8952 6.9442 6.9442 10.1460 10.1460 10.1572 10.1572 10.3561 10.3561 10.3692 10.3692 10.7694 10.7694 10.8086 10.8086 k = 0.2679 0.5000-0.0000 ( 7448 PWs) bands (ev): -10.1255 -10.1255 -10.1183 -10.1183 -9.9417 -9.9417 -9.9229 -9.9229 -4.3584 -4.3584 -4.3534 -4.3534 -4.0001 -4.0001 -3.9852 -3.9852 2.5899 2.5899 2.5978 2.5978 2.8181 2.8181 2.8252 2.8252 2.9677 2.9677 2.9768 2.9768 3.4646 3.4646 3.4729 3.4729 3.7381 3.7381 3.7561 3.7561 4.2911 4.2911 4.2993 4.2993 4.8719 4.8719 4.8783 4.8783 5.4281 5.4281 5.4534 5.4534 5.7932 5.7932 5.8160 5.8160 6.0864 6.0864 6.1142 6.1142 6.5099 6.5099 6.5466 6.5466 6.8798 6.8798 6.9274 6.9274 10.1391 10.1391 10.1510 10.1510 10.3579 10.3579 10.3714 10.3714 10.7559 10.7559 10.7914 10.7914 k = 0.2857 0.5000-0.0000 ( 7448 PWs) bands (ev): -10.1227 -10.1227 -10.1155 -10.1155 -9.9435 -9.9435 -9.9255 -9.9255 -4.3546 -4.3546 -4.3495 -4.3495 -4.0090 -4.0090 -3.9946 -3.9946 2.6122 2.6122 2.6201 2.6201 2.8210 2.8210 2.8295 2.8295 2.9709 2.9709 2.9800 2.9800 3.4771 3.4771 3.4847 3.4847 3.7369 3.7369 3.7541 3.7541 4.3035 4.3035 4.3113 4.3113 4.8750 4.8750 4.8816 4.8816 5.4304 5.4304 5.4540 5.4540 5.7732 5.7732 5.7960 5.7960 6.0644 6.0644 6.0917 6.0917 6.4867 6.4867 6.5201 6.5201 6.8639 6.8639 6.9097 6.9097 10.1327 10.1327 10.1454 10.1454 10.3593 10.3593 10.3734 10.3734 10.7425 10.7425 10.7748 10.7748 k = 0.3036 0.5000-0.0000 ( 7460 PWs) bands (ev): -10.1199 -10.1199 -10.1127 -10.1127 -9.9453 -9.9453 -9.9281 -9.9281 -4.3507 -4.3507 -4.3455 -4.3455 -4.0178 -4.0178 -4.0040 -4.0040 2.6342 2.6342 2.6421 2.6421 2.8238 2.8238 2.8335 2.8335 2.9748 2.9748 2.9840 2.9840 3.4886 3.4886 3.4956 3.4956 3.7360 3.7360 3.7523 3.7523 4.3133 4.3133 4.3206 4.3206 4.8797 4.8797 4.8865 4.8865 5.4357 5.4357 5.4571 5.4571 5.7542 5.7542 5.7768 5.7768 6.0400 6.0400 6.0667 6.0667 6.4650 6.4650 6.4953 6.4953 6.8474 6.8474 6.8911 6.8911 10.1270 10.1270 10.1404 10.1404 10.3604 10.3604 10.3752 10.3752 10.7295 10.7295 10.7587 10.7587 k = 0.3214 0.5000-0.0000 ( 7460 PWs) bands (ev): -10.1171 -10.1171 -10.1100 -10.1100 -9.9470 -9.9470 -9.9308 -9.9308 -4.3467 -4.3467 -4.3415 -4.3415 -4.0264 -4.0264 -4.0134 -4.0134 2.6558 2.6558 2.6636 2.6636 2.8263 2.8263 2.8371 2.8371 2.9791 2.9791 2.9886 2.9886 3.4988 3.4988 3.5052 3.5052 3.7361 3.7361 3.7514 3.7514 4.3199 4.3199 4.3266 4.3266 4.8872 4.8872 4.8941 4.8941 5.4417 5.4417 5.4600 5.4600 5.7377 5.7377 5.7600 5.7600 6.0142 6.0142 6.0404 6.0404 6.4442 6.4442 6.4720 6.4720 6.8307 6.8307 6.8720 6.8720 10.1219 10.1219 10.1361 10.1361 10.3613 10.3613 10.3769 10.3769 10.7171 10.7171 10.7432 10.7432 k = 0.3393 0.5000-0.0000 ( 7468 PWs) bands (ev): -10.1144 -10.1144 -10.1075 -10.1075 -9.9486 -9.9486 -9.9335 -9.9335 -4.3426 -4.3426 -4.3375 -4.3375 -4.0347 -4.0347 -4.0225 -4.0225 2.6768 2.6768 2.6844 2.6844 2.8288 2.8288 2.8402 2.8402 2.9837 2.9837 2.9936 2.9936 3.5070 3.5070 3.5129 3.5129 3.7381 3.7381 3.7520 3.7520 4.3228 4.3228 4.3288 4.3288 4.8986 4.8986 4.9053 4.9053 5.4450 5.4450 5.4595 5.4595 5.7260 5.7260 5.7478 5.7478 5.9882 5.9882 6.0140 6.0140 6.4240 6.4240 6.4495 6.4495 6.8141 6.8141 6.8525 6.8525 10.1176 10.1176 10.1322 10.1322 10.3624 10.3624 10.3785 10.3785 10.7051 10.7051 10.7283 10.7283 k = 0.3571 0.5000-0.0000 ( 7464 PWs) bands (ev): -10.1117 -10.1117 -10.1051 -10.1051 -9.9500 -9.9500 -9.9361 -9.9361 -4.3386 -4.3386 -4.3336 -4.3336 -4.0426 -4.0426 -4.0312 -4.0312 2.6968 2.6968 2.7042 2.7042 2.8310 2.8310 2.8429 2.8429 2.9885 2.9885 2.9986 2.9986 3.5129 3.5129 3.5181 3.5181 3.7426 3.7426 3.7549 3.7549 4.3219 4.3219 4.3272 4.3272 4.9143 4.9143 4.9206 4.9206 5.4419 5.4419 5.4523 5.4523 5.7216 5.7216 5.7429 5.7429 5.9631 5.9631 5.9889 5.9889 6.4039 6.4039 6.4273 6.4273 6.7981 6.7981 6.8332 6.8332 10.1141 10.1141 10.1288 10.1288 10.3637 10.3637 10.3801 10.3801 10.6938 10.6938 10.7142 10.7142 k = 0.3750 0.5000-0.0000 ( 7458 PWs) bands (ev): -10.1091 -10.1091 -10.1029 -10.1029 -9.9512 -9.9512 -9.9387 -9.9387 -4.3346 -4.3346 -4.3299 -4.3299 -4.0499 -4.0499 -4.0396 -4.0396 2.7157 2.7157 2.7227 2.7227 2.8331 2.8331 2.8450 2.8450 2.9933 2.9933 3.0033 3.0033 3.5161 3.5161 3.5207 3.5207 3.7498 3.7498 3.7603 3.7603 4.3175 4.3175 4.3222 4.3222 4.9346 4.9346 4.9405 4.9405 5.4297 5.4297 5.4367 5.4367 5.7259 5.7259 5.7469 5.7469 5.9398 5.9398 5.9659 5.9659 6.3834 6.3834 6.4051 6.4051 6.7831 6.7831 6.8146 6.8146 10.1114 10.1114 10.1257 10.1257 10.3654 10.3654 10.3817 10.3817 10.6833 10.6833 10.7008 10.7008 k = 0.3929 0.5000-0.0000 ( 7454 PWs) bands (ev): -10.1066 -10.1066 -10.1010 -10.1010 -9.9523 -9.9523 -9.9412 -9.9412 -4.3308 -4.3308 -4.3265 -4.3265 -4.0565 -4.0565 -4.0473 -4.0473 2.7332 2.7332 2.7397 2.7397 2.8350 2.8350 2.8466 2.8466 2.9979 2.9979 3.0077 3.0077 3.5169 3.5169 3.5207 3.5207 3.7594 3.7594 3.7681 3.7681 4.3103 4.3103 4.3145 4.3145 4.9594 4.9594 4.9647 4.9647 5.4073 5.4073 5.4131 5.4131 5.7381 5.7381 5.7593 5.7593 5.9187 5.9187 5.9458 5.9458 6.3626 6.3626 6.3825 6.3825 6.7697 6.7697 6.7971 6.7971 10.1094 10.1094 10.1228 10.1228 10.3675 10.3675 10.3832 10.3832 10.6736 10.6736 10.6885 10.6885 k = 0.4107 0.5000-0.0000 ( 7448 PWs) bands (ev): -10.1043 -10.1043 -10.0995 -10.0995 -9.9530 -9.9530 -9.9436 -9.9436 -4.3273 -4.3273 -4.3234 -4.3234 -4.0622 -4.0622 -4.0543 -4.0543 2.7489 2.7489 2.7548 2.7548 2.8367 2.8367 2.8475 2.8475 3.0024 3.0024 3.0115 3.0115 3.5157 3.5157 3.5188 3.5188 3.7708 3.7708 3.7777 3.7777 4.3013 4.3013 4.3049 4.3049 4.9883 4.9883 4.9931 4.9931 5.3765 5.3765 5.3828 5.3828 5.7557 5.7557 5.7778 5.7778 5.9004 5.9004 5.9290 5.9290 6.3418 6.3418 6.3599 6.3599 6.7582 6.7582 6.7813 6.7813 10.1081 10.1081 10.1202 10.1202 10.3701 10.3701 10.3845 10.3845 10.6649 10.6649 10.6772 10.6772 k = 0.4286 0.5000-0.0000 ( 7440 PWs) bands (ev): -10.1023 -10.1023 -10.0982 -10.0982 -9.9535 -9.9535 -9.9458 -9.9458 -4.3241 -4.3241 -4.3209 -4.3209 -4.0670 -4.0670 -4.0604 -4.0604 2.7627 2.7627 2.7677 2.7677 2.8382 2.8382 2.8478 2.8478 3.0065 3.0065 3.0145 3.0145 3.5132 3.5132 3.5157 3.5157 3.7827 3.7827 3.7880 3.7880 4.2915 4.2915 4.2945 4.2945 5.0207 5.0207 5.0252 5.0252 5.3403 5.3403 5.3472 5.3472 5.7757 5.7757 5.7992 5.7992 5.8852 5.8852 5.9158 5.9158 6.3218 6.3218 6.3376 6.3376 6.7489 6.7489 6.7675 6.7675 10.1074 10.1074 10.1177 10.1177 10.3731 10.3731 10.3856 10.3856 10.6576 10.6576 10.6673 10.6673 k = 0.4464 0.5000-0.0000 ( 7448 PWs) bands (ev): -10.1005 -10.1005 -10.0974 -10.0974 -9.9537 -9.9537 -9.9478 -9.9478 -4.3214 -4.3214 -4.3189 -4.3189 -4.0706 -4.0706 -4.0656 -4.0656 2.7742 2.7742 2.7782 2.7782 2.8395 2.8395 2.8475 2.8475 3.0102 3.0102 3.0166 3.0166 3.5103 3.5103 3.5121 3.5121 3.7941 3.7941 3.7978 3.7978 4.2823 4.2823 4.2846 4.2846 5.0561 5.0561 5.0606 5.0606 5.3007 5.3007 5.3078 5.3078 5.7950 5.7950 5.8201 5.8201 5.8739 5.8739 5.9061 5.9061 6.3038 6.3038 6.3169 6.3169 6.7420 6.7420 6.7560 6.7560 10.1073 10.1073 10.1154 10.1154 10.3762 10.3762 10.3862 10.3862 10.6517 10.6517 10.6590 10.6590 k = 0.4643 0.5000-0.0000 ( 7432 PWs) bands (ev): -10.0991 -10.0991 -10.0969 -10.0969 -9.9535 -9.9535 -9.9495 -9.9495 -4.3193 -4.3193 -4.3175 -4.3175 -4.0730 -4.0730 -4.0696 -4.0696 2.7830 2.7830 2.7858 2.7858 2.8407 2.8407 2.8466 2.8466 3.0133 3.0133 3.0179 3.0179 3.5077 3.5077 3.5089 3.5089 3.8035 3.8035 3.8058 3.8058 4.2747 4.2747 4.2764 4.2764 5.0939 5.0939 5.0987 5.0987 5.2594 5.2594 5.2664 5.2664 5.8111 5.8111 5.8350 5.8350 5.8693 5.8693 5.8990 5.8990 6.2896 6.2896 6.2992 6.2992 6.7377 6.7377 6.7471 6.7471 10.1077 10.1077 10.1133 10.1133 10.3792 10.3792 10.3863 10.3863 10.6477 10.6477 10.6525 10.6525 k = 0.4821 0.5000-0.0000 ( 7436 PWs) bands (ev): -10.0980 -10.0980 -10.0969 -10.0969 -9.9530 -9.9530 -9.9510 -9.9510 -4.3177 -4.3177 -4.3168 -4.3168 -4.0742 -4.0742 -4.0724 -4.0724 2.7888 2.7888 2.7903 2.7903 2.8421 2.8421 2.8452 2.8452 3.0157 3.0157 3.0181 3.0181 3.5060 3.5060 3.5066 3.5066 3.8098 3.8098 3.8110 3.8110 4.2699 4.2699 4.2707 4.2707 5.1334 5.1334 5.1387 5.1387 5.2175 5.2175 5.2240 5.2240 5.8233 5.8233 5.8374 5.8374 5.8753 5.8753 5.8928 5.8928 6.2812 6.2812 6.2863 6.2863 6.7360 6.7360 6.7407 6.7407 10.1085 10.1085 10.1114 10.1114 10.3819 10.3819 10.3855 10.3855 10.6456 10.6456 10.6480 10.6480 k = 0.5000 0.5000-0.0000 ( 7452 PWs) bands (ev): -10.0972 -10.0972 -10.0972 -10.0972 -9.9522 -9.9522 -9.9522 -9.9522 -4.3169 -4.3169 -4.3169 -4.3169 -4.0740 -4.0740 -4.0740 -4.0740 2.7913 2.7913 2.7913 2.7913 2.8436 2.8436 2.8436 2.8436 3.0174 3.0174 3.0174 3.0174 3.5056 3.5056 3.5056 3.5056 3.8124 3.8124 3.8124 3.8124 4.2685 4.2685 4.2685 4.2685 5.1710 5.1710 5.1710 5.1710 5.1850 5.1850 5.1850 5.1850 5.8320 5.8320 5.8320 5.8320 5.8851 5.8851 5.8851 5.8851 6.2800 6.2800 6.2800 6.2800 6.7370 6.7370 6.7370 6.7370 10.1098 10.1098 10.1098 10.1098 10.3841 10.3841 10.3841 10.3841 10.6457 10.6457 10.6457 10.6457 k = 0.5000 0.5000-0.0000 ( 7452 PWs) bands (ev): -10.0972 -10.0972 -10.0972 -10.0972 -9.9522 -9.9522 -9.9522 -9.9522 -4.3169 -4.3169 -4.3169 -4.3169 -4.0740 -4.0740 -4.0740 -4.0740 2.7913 2.7913 2.7913 2.7913 2.8436 2.8436 2.8436 2.8436 3.0174 3.0174 3.0174 3.0174 3.5056 3.5056 3.5056 3.5056 3.8124 3.8124 3.8124 3.8124 4.2685 4.2685 4.2685 4.2685 5.1710 5.1710 5.1710 5.1710 5.1850 5.1850 5.1850 5.1850 5.8320 5.8320 5.8320 5.8320 5.8851 5.8851 5.8851 5.8851 6.2800 6.2800 6.2800 6.2800 6.7370 6.7370 6.7370 6.7370 10.1098 10.1098 10.1098 10.1098 10.3841 10.3841 10.3841 10.3841 10.6457 10.6457 10.6457 10.6457 k = 0.4875 0.4875-0.0000 ( 7434 PWs) bands (ev): -10.0982 -10.0977 -10.0971 -10.0966 -9.9532 -9.9526 -9.9514 -9.9507 -4.3187 -4.3174 -4.3168 -4.3163 -4.0742 -4.0740 -4.0734 -4.0717 2.7834 2.7870 2.7892 2.7915 2.8390 2.8443 2.8467 2.8515 3.0156 3.0170 3.0179 3.0223 3.5030 3.5044 3.5066 3.5076 3.8047 3.8064 3.8108 3.8119 4.2684 4.2697 4.2736 4.2758 5.1245 5.1292 5.1683 5.1724 5.1848 5.1898 5.2272 5.2319 5.8040 5.8219 5.8272 5.8374 5.8800 5.8886 5.8961 5.9115 6.2766 6.2812 6.2826 6.2846 6.7351 6.7384 6.7391 6.7414 10.1083 10.1093 10.1102 10.1121 10.3794 10.3830 10.3848 10.3862 10.6449 10.6455 10.6475 10.6506 k = 0.4750 0.4750-0.0000 ( 7430 PWs) bands (ev): -10.1001 -10.0991 -10.0969 -10.0958 -9.9539 -9.9529 -9.9504 -9.9489 -4.3226 -4.3200 -4.3158 -4.3149 -4.0736 -4.0732 -4.0715 -4.0673 2.7682 2.7731 2.7854 2.7898 2.8314 2.8410 2.8577 2.8652 3.0125 3.0168 3.0216 3.0312 3.4968 3.4998 3.5098 3.5119 3.7847 3.7879 3.8071 3.8093 4.2692 4.2719 4.2897 4.2940 5.0764 5.0816 5.1638 5.1673 5.1942 5.1996 5.2761 5.2814 5.7691 5.7947 5.8127 5.8352 5.8874 5.9067 5.9165 5.9400 6.2723 6.2829 6.2897 6.2953 6.7352 6.7432 6.7443 6.7485 10.1067 10.1082 10.1115 10.1158 10.3704 10.3774 10.3876 10.3902 10.6438 10.6452 10.6544 10.6608 k = 0.4625 0.4625-0.0000 ( 7440 PWs) bands (ev): -10.1031 -10.1015 -10.0963 -10.0947 -9.9543 -9.9530 -9.9491 -9.9467 -4.3283 -4.3247 -4.3141 -4.3127 -4.0729 -4.0720 -4.0673 -4.0611 2.7493 2.7543 2.7807 2.7864 2.8214 2.8337 2.8720 2.8813 3.0082 3.0148 3.0300 3.0429 3.4873 3.4915 3.5153 3.5184 3.7548 3.7592 3.8018 3.8048 4.2702 4.2744 4.3139 4.3199 5.0323 5.0379 5.1612 5.1642 5.2048 5.2104 5.3226 5.3286 5.7328 5.7582 5.8052 5.8303 5.9004 5.9223 5.9417 5.9660 6.2673 6.2826 6.3035 6.3118 6.7375 6.7505 6.7528 6.7588 10.1048 10.1065 10.1141 10.1209 10.3584 10.3677 10.3927 10.3962 10.6423 10.6444 10.6654 10.6751 k = 0.4500 0.4500-0.0000 ( 7436 PWs) bands (ev): -10.1069 -10.1050 -10.0954 -10.0932 -9.9545 -9.9530 -9.9474 -9.9441 -4.3355 -4.3311 -4.3116 -4.3097 -4.0718 -4.0706 -4.0613 -4.0533 2.7277 2.7327 2.7756 2.7820 2.8096 2.8230 2.8874 2.8984 3.0029 3.0122 3.0416 3.0565 3.4743 3.4796 3.5227 3.5266 3.7180 3.7232 3.7952 3.7989 4.2703 4.2762 4.3423 4.3500 4.9950 5.0011 5.1608 5.1634 5.2159 5.2215 5.3648 5.3722 5.6965 5.7210 5.8021 5.8274 5.9155 5.9377 5.9650 5.9885 6.2615 6.2808 6.3231 6.3337 6.7418 6.7593 6.7649 6.7720 10.1028 10.1044 10.1182 10.1274 10.3446 10.3556 10.3997 10.4038 10.6404 10.6432 10.6786 10.6917 k = 0.4375 0.4375-0.0000 ( 7446 PWs) bands (ev): -10.1116 -10.1094 -10.0942 -10.0915 -9.9545 -9.9528 -9.9454 -9.9413 -4.3439 -4.3389 -4.3084 -4.3060 -4.0703 -4.0688 -4.0538 -4.0444 2.7041 2.7088 2.7703 2.7769 2.7964 2.8097 2.9032 2.9161 2.9969 3.0094 3.0552 3.0710 3.4580 3.4640 3.5314 3.5360 3.6766 3.6823 3.7880 3.7919 4.2679 4.2756 4.3715 4.3808 4.9676 4.9741 5.1629 5.1650 5.2272 5.2326 5.4016 5.4106 5.6613 5.6844 5.8047 5.8286 5.9311 5.9526 5.9853 6.0077 6.2552 6.2775 6.3478 6.3602 6.7480 6.7697 6.7800 6.7879 10.1010 10.1022 10.1237 10.1351 10.3303 10.3421 10.4083 10.4128 10.6381 10.6416 10.6920 10.7092 k = 0.4250 0.4250-0.0000 ( 7449 PWs) bands (ev): -10.1171 -10.1146 -10.0927 -10.0894 -9.9545 -9.9526 -9.9431 -9.9382 -4.3532 -4.3478 -4.3044 -4.3015 -4.0685 -4.0667 -4.0452 -4.0347 2.6787 2.6832 2.7641 2.7707 2.7834 2.7945 2.9182 2.9337 2.9910 3.0073 3.0699 3.0858 3.4388 3.4451 3.5404 3.5453 3.6326 3.6389 3.7807 3.7845 4.2612 4.2705 4.3989 4.4097 4.9531 4.9600 5.1674 5.1693 5.2383 5.2434 5.4318 5.4428 5.6282 5.6494 5.8139 5.8353 5.9467 5.9666 6.0031 6.0240 6.2485 6.2729 6.3766 6.3905 6.7562 6.7814 6.7976 6.8059 10.0996 10.1004 10.1303 10.1437 10.3164 10.3283 10.4182 10.4228 10.6356 10.6397 10.7042 10.7261 k = 0.4125 0.4125-0.0000 ( 7447 PWs) bands (ev): -10.1232 -10.1205 -10.0908 -10.0870 -9.9544 -9.9523 -9.9406 -9.9350 -4.3630 -4.3574 -4.2996 -4.2963 -4.0663 -4.0642 -4.0359 -4.0243 2.6519 2.6562 2.7536 2.7625 2.7738 2.7797 2.9310 2.9491 2.9873 3.0073 3.0850 3.1000 3.4169 3.4232 3.5463 3.5498 3.5914 3.5970 3.7739 3.7772 4.2483 4.2588 4.4232 4.4351 4.9537 4.9609 5.1742 5.1761 5.2492 5.2539 5.4548 5.4679 5.5988 5.6172 5.8297 5.8478 5.9621 5.9790 6.0191 6.0384 6.2416 6.2672 6.4087 6.4235 6.7661 6.7943 6.8174 6.8257 10.0984 10.0997 10.1380 10.1531 10.3034 10.3149 10.4291 10.4335 10.6330 10.6377 10.7143 10.7411 k = 0.4000 0.4000-0.0000 ( 7455 PWs) bands (ev): -10.1299 -10.1271 -10.0887 -10.0843 -9.9542 -9.9520 -9.9380 -9.9317 -4.3731 -4.3675 -4.2941 -4.2904 -4.0638 -4.0615 -4.0260 -4.0137 2.6239 2.6281 2.7369 2.7489 2.7675 2.7712 2.9397 2.9562 2.9918 3.0111 3.0998 3.1127 3.3927 3.3987 3.5253 3.5305 3.5747 3.5784 3.7681 3.7706 4.2280 4.2390 4.4447 4.4571 4.9694 4.9768 5.1833 5.1854 5.2600 5.2646 5.4700 5.4850 5.5755 5.5894 5.8507 5.8653 5.9773 5.9895 6.0336 6.0512 6.2350 6.2609 6.4430 6.4583 6.7775 6.8081 6.8387 6.8467 10.0978 10.1004 10.1463 10.1627 10.2920 10.3026 10.4407 10.4446 10.6304 10.6357 10.7217 10.7535 k = 0.3875 0.3875-0.0000 ( 7459 PWs) bands (ev): -10.1371 -10.1343 -10.0862 -10.0813 -9.9539 -9.9516 -9.9353 -9.9284 -4.3834 -4.3778 -4.2878 -4.2838 -4.0609 -4.0584 -4.0159 -4.0030 2.5950 2.5991 2.7170 2.7294 2.7640 2.7674 2.9431 2.9533 3.0064 3.0197 3.1131 3.1227 3.3668 3.3725 3.4811 3.4900 3.5777 3.5824 3.7640 3.7656 4.2004 4.2114 4.4643 4.4764 4.9979 5.0055 5.1943 5.1968 5.2714 5.2766 5.4763 5.4923 5.5620 5.5693 5.8742 5.8868 5.9925 5.9985 6.0468 6.0628 6.2293 6.2545 6.4785 6.4942 6.7903 6.8227 6.8612 6.8688 10.0982 10.1024 10.1551 10.1720 10.2827 10.2917 10.4524 10.4561 10.6280 10.6337 10.7261 10.7628 k = 0.3750 0.3750-0.0000 ( 7455 PWs) bands (ev): -10.1447 -10.1418 -10.0835 -10.0780 -9.9536 -9.9511 -9.9325 -9.9252 -4.3936 -4.3882 -4.2809 -4.2765 -4.0577 -4.0550 -4.0056 -3.9924 2.5654 2.5695 2.6952 2.7072 2.7622 2.7649 2.9421 2.9462 3.0246 3.0318 3.1238 3.1283 3.3394 3.3449 3.4368 3.4486 3.5817 3.5864 3.7616 3.7638 4.1668 4.1774 4.4830 4.4942 5.0349 5.0431 5.2062 5.2096 5.2853 5.2919 5.4728 5.4897 5.5571 5.5635 5.8966 5.9109 6.0050 6.0097 6.0583 6.0728 6.2255 6.2492 6.5146 6.5304 6.8042 6.8377 6.8846 6.8916 10.0997 10.1057 10.1636 10.1799 10.2761 10.2830 10.4640 10.4678 10.6259 10.6321 10.7278 10.7688 k = 0.3625 0.3625-0.0000 ( 7463 PWs) bands (ev): -10.1526 -10.1498 -10.0805 -10.0745 -9.9533 -9.9507 -9.9298 -9.9220 -4.4036 -4.3984 -4.2732 -4.2685 -4.0542 -4.0513 -3.9955 -3.9820 2.5353 2.5395 2.6721 2.6835 2.7611 2.7630 2.9379 2.9382 3.0409 3.0464 3.1275 3.1310 3.3093 3.3154 3.3986 3.4142 3.5819 3.5865 3.7619 3.7660 4.1291 4.1392 4.5013 4.5113 5.0759 5.0844 5.2179 5.2226 5.3040 5.3124 5.4652 5.4820 5.5584 5.5696 5.9152 5.9346 6.0133 6.0264 6.0675 6.0804 6.2248 6.2460 6.5507 6.5665 6.8191 6.8529 6.9086 6.9149 10.1025 10.1102 10.1713 10.1856 10.2723 10.2777 10.4751 10.4797 10.6243 10.6308 10.7273 10.7719 k = 0.3500 0.3500-0.0000 ( 7453 PWs) bands (ev): -10.1608 -10.1581 -10.0773 -10.0707 -9.9530 -9.9502 -9.9272 -9.9189 -4.4134 -4.4084 -4.2649 -4.2599 -4.0504 -4.0474 -3.9856 -3.9719 2.5051 2.5092 2.6479 2.6586 2.7600 2.7613 2.9290 2.9326 3.0502 3.0613 3.1218 3.1336 3.2749 3.2813 3.3733 3.3921 3.5765 3.5811 3.7658 3.7720 4.0899 4.0994 4.5192 4.5279 5.1162 5.1247 5.2284 5.2347 5.3279 5.3384 5.4625 5.4777 5.5656 5.5795 5.9290 5.9534 6.0235 6.0432 6.0745 6.0856 6.2280 6.2464 6.5864 6.6020 6.8348 6.8684 6.9327 6.9384 10.1065 10.1159 10.1770 10.1881 10.2708 10.2778 10.4856 10.4915 10.6233 10.6301 10.7252 10.7724 k = 0.3375 0.3375-0.0000 ( 7437 PWs) bands (ev): -10.1693 -10.1667 -10.0738 -10.0667 -9.9526 -9.9496 -9.9246 -9.9159 -4.4227 -4.4181 -4.2560 -4.2507 -4.0463 -4.0431 -3.9759 -3.9623 2.4747 2.4788 2.6228 2.6328 2.7583 2.7594 2.9195 2.9255 3.0498 3.0650 3.1191 3.1354 3.2359 3.2423 3.3643 3.3841 3.5645 3.5693 3.7737 3.7816 4.0512 4.0603 4.5367 4.5439 5.1527 5.1604 5.2381 5.2459 5.3513 5.3635 5.4749 5.4875 5.5761 5.5910 5.9378 5.9642 6.0368 6.0558 6.0804 6.0911 6.2353 6.2509 6.6215 6.6368 6.8513 6.8840 6.9568 6.9621 10.1115 10.1225 10.1800 10.1875 10.2721 10.2829 10.4953 10.5028 10.6230 10.6300 10.7223 10.7710 k = 0.3250 0.3250-0.0000 ( 7443 PWs) bands (ev): -10.1779 -10.1754 -10.0700 -10.0625 -9.9522 -9.9491 -9.9222 -9.9132 -4.4317 -4.4274 -4.2464 -4.2409 -4.0419 -4.0387 -3.9667 -3.9531 2.4443 2.4485 2.5968 2.6061 2.7550 2.7569 2.9089 2.9164 3.0377 3.0491 3.1282 3.1386 3.1962 3.2030 3.3687 3.3874 3.5458 3.5507 3.7849 3.7943 4.0151 4.0237 4.5534 4.5593 5.1839 5.1903 5.2483 5.2573 5.3656 5.3783 5.5104 5.5204 5.5900 5.6044 5.9419 5.9673 6.0470 6.0636 6.0835 6.1038 6.2457 6.2594 6.6558 6.6707 6.8687 6.9000 6.9806 6.9857 10.1173 10.1297 10.1799 10.1845 10.2772 10.2914 10.5043 10.5135 10.6232 10.6306 10.7195 10.7683 k = 0.3125 0.3125-0.0000 ( 7453 PWs) bands (ev): -10.1867 -10.1843 -10.0661 -10.0580 -9.9518 -9.9485 -9.9199 -9.9106 -4.4401 -4.4361 -4.2362 -4.2305 -4.0373 -4.0340 -3.9580 -3.9446 2.4142 2.4184 2.5700 2.5786 2.7498 2.7526 2.8958 2.9035 3.0180 3.0241 3.1297 3.1313 3.1699 3.1793 3.3823 3.3985 3.5211 3.5260 3.7987 3.8090 3.9831 3.9912 4.5690 4.5739 5.2094 5.2149 5.2606 5.2701 5.3723 5.3838 5.5603 5.5657 5.6145 5.6239 5.9415 5.9649 6.0469 6.0696 6.0903 6.1205 6.2578 6.2707 6.6892 6.7038 6.8871 6.9166 7.0039 7.0090 10.1235 10.1371 10.1772 10.1799 10.2856 10.3017 10.5124 10.5230 10.6237 10.6322 10.7176 10.7651 k = 0.3000 0.3000-0.0000 ( 7447 PWs) bands (ev): -10.1955 -10.1933 -10.0620 -10.0534 -9.9514 -9.9479 -9.9178 -9.9082 -4.4480 -4.4444 -4.2255 -4.2196 -4.0325 -4.0292 -3.9497 -3.9366 2.3844 2.3887 2.5426 2.5505 2.7417 2.7453 2.8780 2.8845 2.9969 3.0004 3.0965 3.1013 3.1794 3.1847 3.4014 3.4138 3.4911 3.4965 3.8139 3.8246 3.9563 3.9638 4.5832 4.5876 5.2290 5.2357 5.2762 5.2852 5.3778 5.3868 5.5907 5.6015 5.6641 5.6724 5.9371 5.9588 6.0421 6.0692 6.1038 6.1368 6.2702 6.2830 6.7220 6.7361 6.9065 6.9338 7.0266 7.0319 10.1297 10.1444 10.1727 10.1745 10.2962 10.3130 10.5195 10.5313 10.6241 10.6345 10.7174 10.7621 k = 0.2875 0.2875-0.0000 ( 7453 PWs) bands (ev): -10.2044 -10.2023 -10.0577 -10.0486 -9.9509 -9.9473 -9.9159 -9.9061 -4.4553 -4.4520 -4.2143 -4.2083 -4.0274 -4.0242 -3.9420 -3.9293 2.3551 2.3593 2.5145 2.5217 2.7291 2.7336 2.8544 2.8591 2.9768 2.9829 3.0595 3.0646 3.1981 3.2002 3.4201 3.4297 3.4576 3.4689 3.8291 3.8398 3.9358 3.9424 4.5961 4.6004 5.2445 5.2538 5.2945 5.3024 5.3860 5.3917 5.6052 5.6189 5.7342 5.7464 5.9300 5.9499 6.0369 6.0668 6.1180 6.1515 6.2815 6.2947 6.7543 6.7679 6.9268 6.9517 7.0486 7.0542 10.1353 10.1510 10.1670 10.1689 10.3081 10.3244 10.5255 10.5381 10.6241 10.6374 10.7198 10.7600 k = 0.2750 0.2750-0.0000 ( 7457 PWs) bands (ev): -10.2133 -10.2113 -10.0532 -10.0436 -9.9505 -9.9467 -9.9143 -9.9042 -4.4621 -4.4591 -4.2026 -4.1965 -4.0222 -4.0190 -3.9349 -3.9226 2.3263 2.3305 2.4858 2.4923 2.7101 2.7152 2.8274 2.8308 2.9578 2.9653 3.0293 3.0331 3.2158 3.2207 3.4070 3.4189 3.4533 3.4700 3.8423 3.8521 3.9234 3.9284 4.6075 4.6121 5.2581 5.2702 5.3137 5.3211 5.3981 5.4005 5.6157 5.6298 5.8102 5.8259 5.9236 5.9397 6.0326 6.0643 6.1310 6.1648 6.2906 6.3046 6.7865 6.7997 6.9478 6.9705 7.0698 7.0759 10.1393 10.1561 10.1608 10.1644 10.3204 10.3356 10.5303 10.5432 10.6235 10.6401 10.7252 10.7596 k = 0.2625 0.2625-0.0000 ( 7451 PWs) bands (ev): -10.2221 -10.2203 -10.0486 -10.0385 -9.9501 -9.9461 -9.9128 -9.9026 -4.4682 -4.4656 -4.1905 -4.1844 -4.0169 -4.0137 -3.9284 -3.9167 2.2981 2.3024 2.4566 2.4623 2.6829 2.6881 2.8016 2.8043 2.9339 2.9394 3.0114 3.0134 3.2337 3.2419 3.3725 3.3807 3.4791 3.4913 3.8506 3.8578 3.9207 3.9248 4.6178 4.6229 5.2712 5.2858 5.3330 5.3406 5.4130 5.4153 5.6239 5.6379 5.8699 5.8935 5.9349 5.9398 6.0294 6.0618 6.1437 6.1778 6.2969 6.3118 6.8191 6.8319 6.9692 6.9900 7.0903 7.0968 10.1402 10.1529 10.1589 10.1640 10.3324 10.3462 10.5339 10.5466 10.6225 10.6419 10.7336 10.7616 k = 0.2500 0.2500-0.0000 ( 7443 PWs) bands (ev): -10.2309 -10.2292 -10.0439 -10.0333 -9.9496 -9.9455 -9.9116 -9.9012 -4.4738 -4.4715 -4.1780 -4.1719 -4.0115 -4.0084 -3.9226 -3.9114 2.2707 2.2749 2.4268 2.4318 2.6474 2.6524 2.7799 2.7820 2.9030 2.9066 3.0013 3.0057 3.2519 3.2628 3.3368 3.3437 3.5059 3.5168 3.8522 3.8567 3.9266 3.9329 4.6271 4.6329 5.2843 5.3012 5.3526 5.3608 5.4308 5.4351 5.6302 5.6441 5.8789 5.9006 5.9893 5.9961 6.0287 6.0599 6.1597 6.1931 6.3004 6.3163 6.8521 6.8646 6.9906 7.0099 7.1100 7.1170 10.1373 10.1457 10.1584 10.1664 10.3436 10.3558 10.5361 10.5483 10.6213 10.6422 10.7448 10.7665 k = 0.2375 0.2375-0.0000 ( 7435 PWs) bands (ev): -10.2395 -10.2379 -10.0391 -10.0280 -9.9492 -9.9449 -9.9106 -9.9001 -4.4788 -4.4768 -4.1652 -4.1591 -4.0060 -4.0030 -3.9173 -3.9068 2.2441 2.2483 2.3966 2.4009 2.6057 2.6103 2.7620 2.7633 2.8688 2.8719 2.9947 3.0003 3.2700 3.2815 3.3049 3.3131 3.5327 3.5440 3.8492 3.8527 3.9387 3.9474 4.6358 4.6421 5.2978 5.3164 5.3734 5.3817 5.4519 5.4574 5.6342 5.6488 5.8720 5.8888 6.0199 6.0475 6.0543 6.0663 6.1885 6.2161 6.3030 6.3197 6.8859 6.8980 7.0116 7.0298 7.1291 7.1365 10.1318 10.1382 10.1581 10.1676 10.3537 10.3645 10.5369 10.5486 10.6199 10.6406 10.7581 10.7745 k = 0.2250 0.2250-0.0000 ( 7435 PWs) bands (ev): -10.2479 -10.2465 -10.0342 -10.0226 -9.9488 -9.9442 -9.9099 -9.8993 -4.4833 -4.4815 -4.1521 -4.1461 -4.0005 -3.9976 -3.9127 -3.9029 2.2185 2.2226 2.3660 2.3696 2.5606 2.5647 2.7463 2.7469 2.8344 2.8377 2.9861 2.9914 3.2771 3.2789 3.2912 3.3108 3.5592 3.5717 3.8449 3.8487 3.9537 3.9642 4.6441 4.6507 5.3119 5.3318 5.3956 5.4038 5.4752 5.4809 5.6360 5.6523 5.8639 5.8763 6.0184 6.0506 6.0911 6.0928 6.2329 6.2471 6.3154 6.3310 6.9204 6.9320 7.0318 7.0495 7.1476 7.1553 10.1252 10.1306 10.1568 10.1669 10.3624 10.3721 10.5363 10.5475 10.6182 10.6371 10.7730 10.7859 k = 0.2125 0.2125-0.0000 ( 7435 PWs) bands (ev): -10.2561 -10.2548 -10.0292 -10.0172 -9.9484 -9.9436 -9.9094 -9.8987 -4.4872 -4.4857 -4.1388 -4.1329 -3.9950 -3.9922 -3.9087 -3.8996 2.1938 2.1978 2.3351 2.3381 2.5138 2.5177 2.7316 2.7319 2.8014 2.8050 2.9718 2.9758 3.2627 3.2658 3.3086 3.3290 3.5853 3.5992 3.8410 3.8456 3.9695 3.9812 4.6522 4.6591 5.3266 5.3475 5.4192 5.4272 5.4992 5.5049 5.6359 5.6550 5.8570 5.8651 6.0153 6.0472 6.0999 6.1108 6.2543 6.2631 6.3655 6.3744 6.9554 6.9666 7.0510 7.0683 7.1655 7.1737 10.1179 10.1229 10.1537 10.1641 10.3698 10.3787 10.5343 10.5452 10.6159 10.6318 10.7886 10.8006 k = 0.2000 0.2000-0.0000 ( 7437 PWs) bands (ev): -10.2641 -10.2629 -10.0242 -10.0116 -9.9481 -9.9430 -9.9092 -9.8984 -4.4906 -4.4893 -4.1254 -4.1196 -3.9896 -3.9869 -3.9054 -3.8971 2.1701 2.1741 2.3041 2.3065 2.4669 2.4704 2.7172 2.7178 2.7704 2.7741 2.9501 2.9524 3.2568 3.2632 3.3269 3.3485 3.6107 3.6258 3.8382 3.8438 3.9850 3.9977 4.6603 4.6673 5.3422 5.3638 5.4439 5.4517 5.5224 5.5284 5.6349 5.6577 5.8514 5.8561 6.0115 6.0426 6.0997 6.1156 6.2482 6.2595 6.4436 6.4473 6.9907 7.0014 7.0689 7.0861 7.1832 7.1917 10.1102 10.1151 10.1487 10.1590 10.3761 10.3845 10.5310 10.5419 10.6124 10.6248 10.8049 10.8181 k = 0.1875 0.1875-0.0000 ( 7431 PWs) bands (ev): -10.2718 -10.2707 -10.0191 -10.0061 -9.9478 -9.9424 -9.9092 -9.8984 -4.4935 -4.4924 -4.1118 -4.1062 -3.9843 -3.9817 -3.9026 -3.8951 2.1476 2.1515 2.2733 2.2752 2.4204 2.4237 2.7031 2.7040 2.7420 2.7456 2.9219 2.9226 3.2607 3.2699 3.3452 3.3678 3.6352 3.6510 3.8369 3.8436 3.9994 4.0130 4.6685 4.6755 5.3586 5.3807 5.4691 5.4768 5.5430 5.5504 5.6347 5.6613 5.8459 5.8507 6.0069 6.0370 6.0948 6.1133 6.2340 6.2462 6.5292 6.5299 7.0260 7.0360 7.0852 7.1023 7.2008 7.2094 10.1023 10.1072 10.1418 10.1518 10.3815 10.3895 10.5263 10.5376 10.6072 10.6163 10.8222 10.8377 k = 0.1750 0.1750-0.0000 ( 7419 PWs) bands (ev): -10.2792 -10.2782 -10.0140 -10.0006 -9.9475 -9.9419 -9.9095 -9.8987 -4.4960 -4.4951 -4.0982 -4.0928 -3.9791 -3.9766 -3.9005 -3.8938 2.1263 2.1301 2.2429 2.2443 2.3751 2.3782 2.6890 2.6902 2.7163 2.7195 2.8886 2.8892 3.2724 3.2839 3.3633 3.3866 3.6584 3.6744 3.8371 3.8452 4.0122 4.0265 4.6769 4.6838 5.3760 5.3985 5.4946 5.5021 5.5590 5.5692 5.6380 5.6674 5.8408 5.8484 6.0016 6.0305 6.0872 6.1071 6.2158 6.2280 6.6147 6.6163 7.0607 7.0699 7.1001 7.1169 7.2184 7.2269 10.0942 10.0991 10.1332 10.1428 10.3863 10.3941 10.5207 10.5323 10.5999 10.6066 10.8406 10.8588 k = 0.1625 0.1625-0.0000 ( 7415 PWs) bands (ev): -10.2862 -10.2853 -10.0090 -9.9950 -9.9472 -9.9413 -9.9100 -9.8993 -4.4981 -4.4973 -4.0847 -4.0795 -3.9742 -3.9717 -3.8991 -3.8932 2.1063 2.1100 2.2130 2.2142 2.3314 2.3342 2.6745 2.6765 2.6939 2.6960 2.8527 2.8540 3.2895 3.3030 3.3810 3.4047 3.6803 3.6957 3.8390 3.8487 4.0230 4.0380 4.6854 4.6921 5.3942 5.4171 5.5195 5.5269 5.5697 5.5828 5.6475 5.6769 5.8370 5.8475 5.9958 6.0231 6.0777 6.0981 6.1949 6.2067 6.6992 6.7019 7.0943 7.1020 7.1142 7.1300 7.2360 7.2443 10.0859 10.0909 10.1231 10.1321 10.3907 10.3982 10.5141 10.5261 10.5900 10.5960 10.8605 10.8811 k = 0.1500 0.1500-0.0000 ( 7415 PWs) bands (ev): -10.2928 -10.2921 -10.0040 -9.9895 -9.9471 -9.9407 -9.9108 -9.9001 -4.4998 -4.4992 -4.0713 -4.0664 -3.9694 -3.9671 -3.8982 -3.8931 2.0876 2.0912 2.1842 2.1851 2.2896 2.2921 2.6589 2.6626 2.6747 2.6760 2.8164 2.8181 3.3104 3.3253 3.3982 3.4220 3.7005 3.7149 3.8426 3.8540 4.0315 4.0470 4.6941 4.7005 5.4132 5.4365 5.5433 5.5502 5.5764 5.5919 5.6627 5.6896 5.8343 5.8475 5.9896 6.0150 6.0668 6.0874 6.1723 6.1833 6.7815 6.7850 7.1199 7.1284 7.1344 7.1449 7.2537 7.2616 10.0775 10.0826 10.1119 10.1203 10.3948 10.4021 10.5069 10.5192 10.5777 10.5845 10.8818 10.9047 k = 0.1375 0.1375-0.0000 ( 7415 PWs) bands (ev): -10.2991 -10.2984 -9.9990 -9.9841 -9.9469 -9.9401 -9.9118 -9.9013 -4.5012 -4.5007 -4.0580 -4.0534 -3.9649 -3.9627 -3.8980 -3.8937 2.0702 2.0737 2.1566 2.1573 2.2499 2.2522 2.6427 2.6484 2.6575 2.6606 2.7808 2.7828 3.3336 3.3496 3.4148 3.4383 3.7191 3.7320 3.8480 3.8611 4.0374 4.0533 4.7029 4.7089 5.4330 5.4568 5.5642 5.5680 5.5854 5.5999 5.6803 5.7041 5.8324 5.8479 5.9833 6.0063 6.0552 6.0755 6.1485 6.1585 6.8604 6.8645 7.1310 7.1449 7.1615 7.1711 7.2715 7.2787 10.0691 10.0742 10.1001 10.1077 10.3987 10.4058 10.4993 10.5116 10.5636 10.5717 10.9045 10.9294 k = 0.1250 0.1250-0.0000 ( 7411 PWs) bands (ev): -10.3048 -10.3042 -9.9941 -9.9786 -9.9469 -9.9395 -9.9130 -9.9027 -4.5023 -4.5019 -4.0450 -4.0407 -3.9607 -3.9585 -3.8984 -3.8948 2.0544 2.0577 2.1305 2.1312 2.2125 2.2147 2.6272 2.6339 2.6432 2.6475 2.7469 2.7489 3.3579 3.3747 3.4307 3.4535 3.7362 3.7477 3.8549 3.8696 4.0405 4.0567 4.7115 4.7171 5.4535 5.4778 5.5738 5.5824 5.6028 5.6106 5.6978 5.7186 5.8310 5.8484 5.9772 5.9974 6.0430 6.0626 6.1243 6.1330 6.9349 6.9394 7.1393 7.1526 7.1913 7.2000 7.2891 7.2955 10.0607 10.0658 10.0879 10.0948 10.4026 10.4093 10.4915 10.5035 10.5483 10.5575 10.9287 10.9553 k = 0.1125 0.1125-0.0000 ( 7413 PWs) bands (ev): -10.3102 -10.3096 -9.9893 -9.9733 -9.9469 -9.9389 -9.9144 -9.9043 -4.5032 -4.5029 -4.0322 -4.0283 -3.9568 -3.9547 -3.8994 -3.8966 2.0400 2.0432 2.1063 2.1069 2.1778 2.1797 2.6132 2.6202 2.6308 2.6357 2.7151 2.7171 3.3826 3.3999 3.4457 3.4674 3.7521 3.7625 3.8629 3.8789 4.0406 4.0569 4.7199 4.7250 5.4746 5.4995 5.5786 5.5940 5.6219 5.6257 5.7134 5.7315 5.8292 5.8486 5.9718 5.9888 6.0306 6.0494 6.1000 6.1076 7.0040 7.0085 7.1462 7.1581 7.2199 7.2278 7.3065 7.3120 10.0526 10.0576 10.0757 10.0819 10.4064 10.4127 10.4837 10.4953 10.5323 10.5421 10.9543 10.9824 k = 0.1000 0.1000-0.0000 ( 7401 PWs) bands (ev): -10.3150 -10.3145 -9.9846 -9.9680 -9.9470 -9.9383 -9.9159 -9.9063 -4.5038 -4.5036 -4.0198 -4.0162 -3.9533 -3.9513 -3.9011 -3.8989 2.0273 2.0304 2.0841 2.0847 2.1457 2.1475 2.6010 2.6081 2.6195 2.6249 2.6858 2.6878 3.4069 3.4241 3.4598 3.4800 3.7674 3.7773 3.8718 3.8885 4.0377 4.0538 4.7279 4.7325 5.4963 5.5218 5.5845 5.6037 5.6398 5.6425 5.7259 5.7420 5.8264 5.8479 5.9676 5.9810 6.0182 6.0360 6.0764 6.0834 7.0659 7.0707 7.1526 7.1624 7.2471 7.2544 7.3232 7.3279 10.0448 10.0496 10.0639 10.0693 10.4101 10.4160 10.4761 10.4870 10.5160 10.5260 10.9812 11.0105 k = 0.0875 0.0875-0.0000 ( 7397 PWs) bands (ev): -10.3193 -10.3189 -9.9801 -9.9629 -9.9473 -9.9377 -9.9177 -9.9085 -4.5043 -4.5041 -4.0079 -4.0046 -3.9501 -3.9482 -3.9034 -3.9018 2.0163 2.0192 2.0643 2.0648 2.1165 2.1182 2.5906 2.5978 2.6092 2.6149 2.6595 2.6613 3.4301 3.4467 3.4727 3.4911 3.7827 3.7926 3.8810 3.8976 4.0317 4.0476 4.7353 4.7394 5.5185 5.5445 5.5925 5.6138 5.6560 5.6581 5.7345 5.7496 5.8215 5.8455 5.9647 5.9746 6.0064 6.0228 6.0540 6.0611 7.1168 7.1239 7.1613 7.1670 7.2733 7.2797 7.3392 7.3429 10.0375 10.0420 10.0527 10.0575 10.4138 10.4192 10.4689 10.4790 10.5000 10.5097 11.0093 11.0396 k = 0.0750 0.0750-0.0000 ( 7389 PWs) bands (ev): -10.3231 -10.3227 -9.9757 -9.9579 -9.9476 -9.9370 -9.9195 -9.9110 -4.5046 -4.5045 -3.9964 -3.9934 -3.9473 -3.9455 -3.9064 -3.9052 2.0071 2.0098 2.0469 2.0474 2.0902 2.0919 2.5821 2.5893 2.5998 2.6058 2.6364 2.6379 3.4514 3.4671 3.4843 3.5006 3.7987 3.8087 3.8901 3.9060 4.0227 4.0382 4.7421 4.7456 5.5412 5.5675 5.6029 5.6252 5.6702 5.6717 5.7388 5.7542 5.8134 5.8401 5.9633 5.9703 5.9957 6.0102 6.0338 6.0415 7.1439 7.1573 7.1798 7.1860 7.2989 7.3042 7.3540 7.3569 10.0309 10.0350 10.0426 10.0466 10.4174 10.4221 10.4623 10.4713 10.4849 10.4937 11.0382 11.0694 k = 0.0625 0.0625-0.0000 ( 7399 PWs) bands (ev): -10.3263 -10.3260 -9.9716 -9.9530 -9.9482 -9.9363 -9.9215 -9.9137 -4.5049 -4.5048 -3.9854 -3.9827 -3.9448 -3.9433 -3.9101 -3.9093 1.9998 2.0024 2.0322 2.0326 2.0670 2.0687 2.5753 2.5826 2.5912 2.5976 2.6167 2.6179 3.4706 3.4845 3.4946 3.5085 3.8161 3.8260 3.8987 3.9132 4.0109 4.0258 4.7480 4.7509 5.5645 5.5904 5.6159 5.6380 5.6815 5.6835 5.7389 5.7557 5.8017 5.8307 5.9632 5.9683 5.9866 5.9991 6.0166 6.0247 7.1517 7.1627 7.2130 7.2172 7.3242 7.3281 7.3672 7.3695 10.0251 10.0286 10.0335 10.0369 10.4209 10.4249 10.4562 10.4641 10.4711 10.4789 11.0677 11.0997 k = 0.0500 0.0500-0.0000 ( 7415 PWs) bands (ev): -10.3290 -10.3287 -9.9676 -9.9490 -9.9481 -9.9355 -9.9235 -9.9167 -4.5050 -4.5049 -3.9750 -3.9726 -3.9428 -3.9415 -3.9145 -3.9138 1.9945 1.9970 2.0201 2.0204 2.0469 2.0487 2.5702 2.5776 2.5834 2.5905 2.6006 2.6015 3.4870 3.4987 3.5035 3.5148 3.8349 3.8446 3.9065 3.9190 3.9965 4.0108 4.7529 4.7553 5.5883 5.6127 5.6315 5.6521 5.6899 5.6936 5.7350 5.7538 5.7866 5.8168 5.9639 5.9682 5.9797 5.9900 6.0027 6.0106 7.1551 7.1635 7.2405 7.2431 7.3483 7.3509 7.3786 7.3803 10.0203 10.0232 10.0259 10.0285 10.4243 10.4276 10.4508 10.4574 10.4594 10.4656 11.0973 11.1299 k = 0.0375 0.0375-0.0000 ( 7425 PWs) bands (ev): -10.3310 -10.3309 -9.9640 -9.9500 -9.9436 -9.9346 -9.9255 -9.9199 -4.5051 -4.5051 -3.9652 -3.9631 -3.9411 -3.9401 -3.9198 -3.9189 1.9916 1.9938 2.0107 2.0109 2.0300 2.0318 2.5665 2.5742 2.5764 2.5843 2.5882 2.5889 3.5004 3.5092 3.5110 3.5192 3.8550 3.8643 3.9132 3.9233 3.9797 3.9934 4.7570 4.7588 5.6126 5.6335 5.6495 5.6672 5.6956 5.7021 5.7279 5.7478 5.7693 5.7986 5.9647 5.9687 5.9759 5.9837 5.9920 5.9991 7.1572 7.1634 7.2602 7.2618 7.3695 7.3711 7.3878 7.3890 10.0165 10.0187 10.0199 10.0218 10.4276 10.4301 10.4458 10.4499 10.4518 10.4546 11.1267 11.1594 k = 0.0250 0.0250-0.0000 ( 7449 PWs) bands (ev): -10.3325 -10.3324 -9.9607 -9.9514 -9.9391 -9.9335 -9.9274 -9.9233 -4.5052 -4.5051 -3.9560 -3.9541 -3.9399 -3.9391 -3.9257 -3.9246 1.9910 1.9930 2.0040 2.0042 2.0161 2.0181 2.5643 2.5704 2.5725 2.5790 2.5798 2.5804 3.5107 3.5157 3.5173 3.5220 3.8762 3.8849 3.9185 3.9261 3.9611 3.9743 4.7599 4.7611 5.6371 5.6523 5.6677 5.6829 5.6994 5.7087 5.7184 5.7366 5.7533 5.7774 5.9652 5.9689 5.9753 5.9800 5.9846 5.9901 7.1587 7.1628 7.2732 7.2742 7.3861 7.3869 7.3946 7.3954 10.0139 10.0152 10.0157 10.0168 10.4308 10.4325 10.4410 10.4439 10.4456 10.4471 11.1551 11.1883 k = 0.0125 0.0125-0.0000 ( 7451 PWs) bands (ev): -10.3334 -10.3333 -9.9578 -9.9531 -9.9349 -9.9322 -9.9292 -9.9270 -4.5052 -4.5052 -3.9474 -3.9459 -3.9392 -3.9385 -3.9323 -3.9308 1.9930 1.9947 1.9998 2.0004 2.0054 2.0076 2.5632 2.5659 2.5722 2.5744 2.5753 2.5758 3.5177 3.5197 3.5209 3.5228 3.8979 3.9052 3.9218 3.9283 3.9409 3.9542 4.7619 4.7625 5.6612 5.6693 5.6812 5.6919 5.7046 5.7098 5.7116 5.7258 5.7409 5.7544 5.9656 5.9684 5.9763 5.9785 5.9805 5.9834 7.1599 7.1620 7.2807 7.2811 7.3967 7.3970 7.3988 7.3992 10.0124 10.0128 10.0133 10.0136 10.4336 10.4352 10.4375 10.4397 10.4409 10.4425 11.1812 11.2144 k = 0.0000 0.0000 0.0000 ( 7441 PWs) bands (ev): -10.3337 -10.3337 -9.9553 -9.9553 -9.9308 -9.9308 -9.9308 -9.9308 -4.5052 -4.5052 -3.9395 -3.9395 -3.9395 -3.9395 -3.9371 -3.9371 1.9977 1.9977 1.9977 1.9977 2.0007 2.0007 2.5636 2.5636 2.5733 2.5733 2.5733 2.5733 3.5216 3.5216 3.5216 3.5216 3.9197 3.9197 3.9197 3.9197 3.9361 3.9361 4.7627 4.7627 5.6825 5.6825 5.6825 5.6825 5.7012 5.7012 5.7309 5.7309 5.7309 5.7309 5.9669 5.9669 5.9788 5.9788 5.9788 5.9788 7.1610 7.1610 7.2832 7.2832 7.4004 7.4004 7.4004 7.4004 10.0122 10.0122 10.0122 10.0122 10.4357 10.4357 10.4385 10.4385 10.4385 10.4385 11.2043 11.2089 k = 0.0000 0.0000 0.0000 ( 7441 PWs) bands (ev): -10.3337 -10.3337 -9.9553 -9.9553 -9.9308 -9.9308 -9.9308 -9.9308 -4.5052 -4.5052 -3.9395 -3.9395 -3.9395 -3.9395 -3.9371 -3.9371 1.9977 1.9977 1.9977 1.9977 2.0007 2.0007 2.5636 2.5636 2.5733 2.5733 2.5733 2.5733 3.5216 3.5216 3.5216 3.5216 3.9197 3.9197 3.9197 3.9197 3.9361 3.9361 4.7627 4.7627 5.6825 5.6825 5.6825 5.6825 5.7012 5.7012 5.7309 5.7309 5.7309 5.7309 5.9669 5.9669 5.9788 5.9788 5.9788 5.9788 7.1610 7.1610 7.2832 7.2832 7.4004 7.4004 7.4004 7.4004 10.0122 10.0122 10.0122 10.0122 10.4357 10.4357 10.4385 10.4385 10.4385 10.4385 11.2045 11.2109 k = 0.0104 0.0104 0.0104 ( 7454 PWs) bands (ev): -10.3334 -10.3333 -9.9578 -9.9531 -9.9349 -9.9325 -9.9289 -9.9270 -4.5052 -4.5052 -3.9475 -3.9461 -3.9391 -3.9387 -3.9322 -3.9306 1.9927 1.9946 2.0001 2.0008 2.0054 2.0076 2.5633 2.5660 2.5721 2.5746 2.5753 2.5759 3.5176 3.5199 3.5205 3.5228 3.8980 3.9046 3.9219 3.9274 3.9415 3.9549 4.7618 4.7624 5.6639 5.6647 5.6808 5.6959 5.7011 5.7105 5.7111 5.7259 5.7428 5.7536 5.9657 5.9684 5.9763 5.9791 5.9798 5.9836 7.1599 7.1620 7.2806 7.2811 7.3966 7.3971 7.3985 7.3990 10.0126 10.0127 10.0134 10.0135 10.4338 10.4351 10.4376 10.4396 10.4409 10.4426 11.1811 11.2138 k = 0.0208 0.0208 0.0208 ( 7445 PWs) bands (ev): -10.3325 -10.3323 -9.9608 -9.9513 -9.9391 -9.9341 -9.9269 -9.9233 -4.5052 -4.5051 -3.9560 -3.9544 -3.9401 -3.9397 -3.9254 -3.9240 1.9905 1.9927 2.0054 2.0058 2.0158 2.0176 2.5644 2.5706 2.5725 2.5797 2.5799 2.5803 3.5108 3.5161 3.5163 3.5215 3.8774 3.8844 3.9185 3.9222 3.9627 3.9758 4.7598 4.7611 5.6400 5.6461 5.6685 5.6801 5.7011 5.7090 5.7172 5.7400 5.7558 5.7746 5.9657 5.9685 5.9765 5.9812 5.9825 5.9905 7.1586 7.1628 7.2729 7.2739 7.3860 7.3871 7.3935 7.3946 10.0145 10.0149 10.0162 10.0164 10.4318 10.4321 10.4411 10.4440 10.4452 10.4474 11.1545 11.1876 k = 0.0312 0.0312 0.0312 ( 7418 PWs) bands (ev): -10.3309 -10.3307 -9.9642 -9.9500 -9.9434 -9.9354 -9.9248 -9.9199 -4.5051 -4.5051 -3.9650 -3.9633 -3.9417 -3.9413 -3.9193 -3.9181 1.9910 1.9934 2.0141 2.0144 2.0287 2.0303 2.5668 2.5744 2.5770 2.5853 2.5887 2.5889 3.5010 3.5082 3.5105 3.5177 3.8587 3.8649 3.9118 3.9152 3.9824 3.9956 4.7568 4.7586 5.6151 5.6268 5.6542 5.6573 5.6985 5.7021 5.7290 5.7576 5.7673 5.7925 5.9671 5.9676 5.9801 5.9832 5.9893 5.9996 7.1570 7.1634 7.2597 7.2614 7.3694 7.3712 7.3853 7.3871 10.0178 10.0188 10.0205 10.0209 10.4296 10.4299 10.4458 10.4512 10.4518 10.4529 11.1258 11.1591 k = 0.0417 0.0417 0.0417 ( 7409 PWs) bands (ev): -10.3288 -10.3285 -9.9679 -9.9490 -9.9479 -9.9367 -9.9226 -9.9166 -4.5050 -4.5049 -3.9745 -3.9727 -3.9439 -3.9435 -3.9140 -3.9128 1.9942 1.9968 2.0261 2.0265 2.0440 2.0455 2.5707 2.5780 2.5844 2.5919 2.6010 2.6021 3.4879 3.4961 3.5035 3.5119 3.8425 3.8477 3.9023 3.9058 4.0001 4.0135 4.7527 4.7551 5.5899 5.6066 5.6363 5.6402 5.6937 5.6941 5.7378 5.7723 5.7758 5.8060 5.9649 5.9708 5.9872 5.9882 5.9992 6.0111 7.1548 7.1633 7.2402 7.2427 7.3478 7.3507 7.3738 7.3767 10.0223 10.0245 10.0264 10.0267 10.4272 10.4281 10.4510 10.4591 10.4609 10.4609 11.0965 11.1297 k = 0.0521 0.0521 0.0521 ( 7403 PWs) bands (ev): -10.3260 -10.3257 -9.9718 -9.9525 -9.9483 -9.9379 -9.9204 -9.9137 -4.5049 -4.5048 -3.9844 -3.9825 -3.9468 -3.9462 -3.9093 -3.9082 2.0002 2.0029 2.0414 2.0418 2.0616 2.0630 2.5762 2.5833 2.5926 2.5997 2.6173 2.6190 3.4711 3.4798 3.4955 3.5046 3.8293 3.8333 3.8901 3.8940 4.0153 4.0288 4.7477 4.7506 5.5646 5.5847 5.6186 5.6275 5.6849 5.6870 5.7427 5.7801 5.7827 5.8144 5.9623 5.9736 5.9958 6.0013 6.0121 6.0250 7.1511 7.1620 7.2137 7.2173 7.3229 7.3273 7.3592 7.3635 10.0277 10.0318 10.0337 10.0339 10.4250 10.4262 10.4568 10.4659 10.4725 10.4727 11.0672 11.0999 k = 0.0625 0.0625 0.0625 ( 7403 PWs) bands (ev): -10.3227 -10.3223 -9.9760 -9.9572 -9.9479 -9.9390 -9.9183 -9.9110 -4.5046 -4.5045 -3.9947 -3.9926 -3.9502 -3.9496 -3.9054 -3.9044 2.0089 2.0117 2.0600 2.0605 2.0815 2.0826 2.5834 2.5904 2.6019 2.6087 2.6373 2.6395 3.4509 3.4595 3.4867 3.4963 3.8190 3.8216 3.8754 3.8799 4.0276 4.0413 4.7419 4.7453 5.5394 5.5613 5.6047 5.6167 5.6747 5.6784 5.7433 5.7799 5.7885 5.8177 5.9597 5.9747 6.0103 6.0192 6.0275 6.0413 7.1429 7.1557 7.1830 7.1871 7.2961 7.3027 7.3415 7.3477 10.0339 10.0401 10.0421 10.0427 10.4226 10.4239 10.4632 10.4734 10.4861 10.4862 11.0382 11.0703 k = 0.0729 0.0729 0.0729 ( 7400 PWs) bands (ev): -10.3187 -10.3183 -9.9803 -9.9620 -9.9476 -9.9402 -9.9163 -9.9085 -4.5042 -4.5041 -4.0053 -4.0031 -3.9542 -3.9535 -3.9023 -3.9013 2.0201 2.0231 2.0817 2.0822 2.1033 2.1043 2.5925 2.5993 2.6122 2.6188 2.6608 2.6635 3.4275 3.4359 3.4771 3.4872 3.8114 3.8124 3.8583 3.8637 4.0370 4.0507 4.7355 4.7392 5.5143 5.5369 5.5942 5.6081 5.6634 5.6681 5.7397 5.7750 5.7900 5.8168 5.9572 5.9749 6.0298 6.0407 6.0450 6.0596 7.1181 7.1249 7.1636 7.1669 7.2685 7.2777 7.3208 7.3294 10.0406 10.0486 10.0523 10.0529 10.4199 10.4211 10.4701 10.4814 10.5010 10.5012 11.0102 11.0414 k = 0.0833 0.0833 0.0833 ( 7409 PWs) bands (ev): -10.3143 -10.3138 -9.9847 -9.9668 -9.9476 -9.9413 -9.9145 -9.9063 -4.5037 -4.5036 -4.0162 -4.0139 -3.9587 -3.9579 -3.9000 -3.8990 2.0339 2.0370 2.1065 2.1071 2.1268 2.1278 2.6035 2.6102 2.6235 2.6300 2.6876 2.6906 3.4017 3.4098 3.4671 3.4776 3.8046 3.8060 3.8388 3.8461 4.0435 4.0571 4.7286 4.7327 5.4895 5.5120 5.5866 5.6014 5.6511 5.6561 5.7320 5.7658 5.7882 5.8129 5.9551 5.9748 6.0530 6.0640 6.0645 6.0798 7.0716 7.0742 7.1527 7.1614 7.2401 7.2524 7.2972 7.3089 10.0472 10.0570 10.0641 10.0641 10.4166 10.4176 10.4775 10.4897 10.5167 10.5173 10.9834 11.0136 k = 0.0938 0.0937 0.0937 ( 7421 PWs) bands (ev): -10.3093 -10.3087 -9.9892 -9.9717 -9.9477 -9.9424 -9.9128 -9.9045 -4.5030 -4.5029 -4.0273 -4.0249 -3.9636 -3.9628 -3.8985 -3.8975 2.0501 2.0532 2.1341 2.1349 2.1520 2.1529 2.6165 2.6230 2.6358 2.6422 2.7174 2.7209 3.3744 3.3818 3.4566 3.4676 3.7963 3.8023 3.8172 3.8286 4.0472 4.0607 4.7214 4.7257 5.4649 5.4870 5.5815 5.5964 5.6380 5.6424 5.7206 5.7527 5.7841 5.8071 5.9535 5.9746 6.0788 6.0836 6.0883 6.1024 7.0137 7.0149 7.1449 7.1560 7.2108 7.2265 7.2709 7.2862 10.0533 10.0649 10.0762 10.0771 10.4128 10.4133 10.4853 10.4983 10.5327 10.5340 10.9581 10.9873 k = 0.1042 0.1042 0.1042 ( 7427 PWs) bands (ev): -10.3038 -10.3031 -9.9938 -9.9766 -9.9480 -9.9436 -9.9114 -9.9029 -4.5021 -4.5019 -4.0385 -4.0360 -3.9690 -3.9681 -3.8977 -3.8968 2.0685 2.0717 2.1644 2.1654 2.1784 2.1795 2.6315 2.6379 2.6492 2.6555 2.7500 2.7539 3.3463 3.3530 3.4458 3.4573 3.7833 3.7936 3.7997 3.8150 4.0483 4.0617 4.7142 4.7187 5.4406 5.4621 5.5784 5.5919 5.6247 5.6269 5.7057 5.7361 5.7789 5.8005 5.9527 5.9746 6.1033 6.1062 6.1105 6.1277 6.9489 6.9495 7.1367 7.1488 7.1806 7.1999 7.2423 7.2617 10.0585 10.0718 10.0889 10.0909 10.4079 10.4081 10.4936 10.5071 10.5487 10.5508 10.9347 10.9628 k = 0.1146 0.1146 0.1146 ( 7427 PWs) bands (ev): -10.2978 -10.2970 -9.9984 -9.9814 -9.9484 -9.9448 -9.9102 -9.9016 -4.5009 -4.5007 -4.0499 -4.0473 -3.9748 -3.9738 -3.8978 -3.8969 2.0890 2.0922 2.1969 2.1986 2.2060 2.2076 2.6487 2.6548 2.6635 2.6699 2.7851 2.7894 3.3181 3.3241 3.4346 3.4466 3.7631 3.7682 3.7979 3.8075 4.0474 4.0606 4.7073 4.7118 5.4165 5.4372 5.5767 5.5856 5.6096 5.6128 5.6879 5.7164 5.7736 5.7939 5.9527 5.9751 6.1225 6.1309 6.1342 6.1549 6.8791 6.8793 7.1270 7.1375 7.1516 7.1723 7.2114 7.2354 10.0622 10.0772 10.1019 10.1053 10.4015 10.4025 10.5022 10.5159 10.5642 10.5672 10.9133 10.9404 k = 0.1250 0.1250 0.1250 ( 7421 PWs) bands (ev): -10.2914 -10.2905 -10.0029 -9.9863 -9.9489 -9.9460 -9.9093 -9.9006 -4.4993 -4.4992 -4.0614 -4.0587 -3.9810 -3.9799 -3.8987 -3.8978 2.1114 2.1146 2.2299 2.2342 2.2343 2.2383 2.6681 2.6736 2.6789 2.6853 2.8224 2.8272 3.2906 3.2957 3.4232 3.4357 3.7383 3.7412 3.7963 3.8032 4.0449 4.0579 4.7007 4.7053 5.3927 5.4125 5.5740 5.5757 5.5902 5.6049 5.6673 5.6940 5.7692 5.7884 5.9536 5.9761 6.1408 6.1496 6.1623 6.1824 6.8057 6.8058 7.1116 7.1155 7.1339 7.1439 7.1787 7.2076 10.0638 10.0805 10.1147 10.1198 10.3941 10.3960 10.5113 10.5246 10.5789 10.5829 10.8942 10.9203 k = 0.1354 0.1354 0.1354 ( 7439 PWs) bands (ev): -10.2845 -10.2835 -10.0075 -9.9911 -9.9495 -9.9473 -9.9087 -9.8999 -4.4975 -4.4974 -4.0728 -4.0701 -3.9874 -3.9863 -3.9005 -3.8995 2.1355 2.1387 2.2608 2.2630 2.2721 2.2740 2.6896 2.6940 2.6953 2.7022 2.8617 2.8669 3.2645 3.2685 3.4114 3.4244 3.7110 3.7129 3.7947 3.8000 4.0414 4.0542 4.6948 4.6993 5.3691 5.3878 5.5568 5.5688 5.5746 5.6002 5.6443 5.6693 5.7668 5.7846 5.9554 5.9776 6.1578 6.1668 6.1899 6.2095 6.7297 6.7301 7.0782 7.1013 7.1153 7.1204 7.1444 7.1785 10.0627 10.0811 10.1270 10.1341 10.3856 10.3887 10.5207 10.5332 10.5925 10.5974 10.8776 10.9029 k = 0.1458 0.1458 0.1458 ( 7439 PWs) bands (ev): -10.2773 -10.2762 -10.0120 -9.9958 -9.9502 -9.9486 -9.9083 -9.8995 -4.4953 -4.4952 -4.0843 -4.0814 -3.9942 -3.9930 -3.9030 -3.9020 2.1611 2.1642 2.2901 2.2919 2.3120 2.3133 2.7126 2.7131 2.7148 2.7214 2.9025 2.9082 3.2403 3.2432 3.3993 3.4128 3.6822 3.6835 3.7927 3.7970 4.0374 4.0501 4.6897 4.6941 5.3456 5.3633 5.5361 5.5453 5.5726 5.5958 5.6194 5.6425 5.7672 5.7833 5.9580 5.9796 6.1731 6.1822 6.2163 6.2356 6.6527 6.6535 7.0432 7.0799 7.0908 7.1053 7.1089 7.1483 10.0585 10.0783 10.1384 10.1478 10.3762 10.3806 10.5305 10.5416 10.6047 10.6106 10.8636 10.8884 k = 0.1562 0.1562 0.1562 ( 7439 PWs) bands (ev): -10.2697 -10.2685 -10.0164 -10.0005 -9.9509 -9.9499 -9.9082 -9.8995 -4.4926 -4.4925 -4.0956 -4.0927 -4.0011 -4.0000 -3.9063 -3.9052 2.1880 2.1909 2.3189 2.3206 2.3537 2.3548 2.7310 2.7345 2.7384 2.7445 2.9444 2.9506 3.2189 3.2205 3.3869 3.4008 3.6525 3.6535 3.7901 3.7937 4.0337 4.0461 4.6856 4.6897 5.3221 5.3387 5.5126 5.5196 5.5689 5.5900 5.5929 5.6142 5.7711 5.7852 5.9610 5.9816 6.1865 6.1958 6.2411 6.2601 6.5759 6.5771 7.0074 7.0504 7.0717 7.0725 7.0882 7.1173 10.0507 10.0719 10.1485 10.1603 10.3659 10.3719 10.5407 10.5497 10.6154 10.6221 10.8525 10.8770 k = 0.1667 0.1667 0.1667 ( 7421 PWs) bands (ev): -10.2618 -10.2604 -10.0207 -10.0050 -9.9518 -9.9513 -9.9084 -9.8997 -4.4895 -4.4894 -4.1069 -4.1039 -4.0083 -4.0071 -3.9103 -3.9092 2.2159 2.2186 2.3470 2.3488 2.3968 2.3980 2.7503 2.7541 2.7652 2.7698 2.9870 2.9937 3.2010 3.2011 3.3742 3.3883 3.6225 3.6233 3.7868 3.7897 4.0307 4.0429 4.6825 4.6863 5.2986 5.3139 5.4867 5.4917 5.5630 5.5656 5.5823 5.5846 5.7785 5.7905 5.9640 5.9833 6.1977 6.2072 6.2639 6.2827 6.5007 6.5025 6.9713 7.0191 7.0356 7.0518 7.0688 7.0855 10.0391 10.0615 10.1568 10.1714 10.3550 10.3625 10.5510 10.5573 10.6244 10.6317 10.8444 10.8691 k = 0.1771 0.1771 0.1771 ( 7445 PWs) bands (ev): -10.2537 -10.2521 -10.0249 -10.0094 -9.9528 -9.9528 -9.9089 -9.9003 -4.4859 -4.4858 -4.1179 -4.1149 -4.0156 -4.0143 -3.9151 -3.9140 2.2447 2.2472 2.3743 2.3762 2.4412 2.4424 2.7706 2.7743 2.7928 2.7959 3.0295 3.0367 3.1859 3.1876 3.3612 3.3755 3.5928 3.5935 3.7824 3.7848 4.0289 4.0409 4.6804 4.6837 5.2749 5.2889 5.4584 5.4615 5.5370 5.5543 5.5557 5.5725 5.7891 5.7990 5.9662 5.9838 6.2065 6.2164 6.2842 6.3030 6.4289 6.4315 6.9352 6.9871 6.9985 7.0299 7.0471 7.0533 10.0238 10.0472 10.1634 10.1808 10.3433 10.3524 10.5613 10.5644 10.6317 10.6394 10.8395 10.8647 k = 0.1875 0.1875 0.1875 ( 7445 PWs) bands (ev): -10.2453 -10.2436 -10.0290 -10.0136 -9.9543 -9.9538 -9.9097 -9.9012 -4.4818 -4.4817 -4.1288 -4.1257 -4.0230 -4.0217 -3.9207 -3.9195 2.2741 2.2763 2.4004 2.4026 2.4864 2.4878 2.7918 2.7952 2.8203 2.8218 3.0712 3.0790 3.1761 3.1798 3.3480 3.3622 3.5643 3.5649 3.7770 3.7789 4.0289 4.0405 4.6791 4.6819 5.2507 5.2632 5.4279 5.4290 5.5088 5.5238 5.5460 5.5609 5.8027 5.8106 5.9665 5.9820 6.2125 6.2231 6.3015 6.3207 6.3626 6.3666 6.8995 6.9549 6.9617 7.0062 7.0208 7.0234 10.0049 10.0292 10.1679 10.1882 10.3307 10.3415 10.5705 10.5711 10.6372 10.6451 10.8380 10.8642 k = 0.1979 0.1979 0.1979 ( 7445 PWs) bands (ev): -10.2367 -10.2348 -10.0329 -10.0177 -9.9559 -9.9549 -9.9108 -9.9024 -4.4771 -4.4770 -4.1394 -4.1362 -4.0305 -4.0292 -3.9269 -3.9257 2.3039 2.3058 2.4254 2.4278 2.5321 2.5337 2.8138 2.8167 2.8462 2.8464 3.1110 3.1193 3.1733 3.1791 3.3347 3.3486 3.5382 3.5386 3.7704 3.7718 4.0308 4.0421 4.6784 4.6805 5.2257 5.2366 5.3944 5.3950 5.4813 5.4938 5.5346 5.5479 5.8184 5.8247 5.9635 5.9763 6.2154 6.2271 6.3043 6.3050 6.3206 6.3356 6.8646 6.9227 6.9256 6.9808 6.9882 6.9977 9.9830 10.0079 10.1706 10.1936 10.3171 10.3295 10.5754 10.5798 10.6410 10.6487 10.8401 10.8674 k = 0.2083 0.2083 0.2083 ( 7445 PWs) bands (ev): -10.2279 -10.2258 -10.0366 -10.0216 -9.9575 -9.9561 -9.9122 -9.9039 -4.4719 -4.4717 -4.1496 -4.1465 -4.0380 -4.0367 -3.9338 -3.9325 2.3341 2.3356 2.4489 2.4515 2.5779 2.5798 2.8365 2.8387 2.8677 2.8694 3.1471 3.1557 3.1794 3.1870 3.3215 3.3347 3.5162 3.5162 3.7625 3.7635 4.0350 4.0459 4.6777 4.6790 5.1996 5.2089 5.3577 5.3600 5.4551 5.4649 5.5220 5.5339 5.8359 5.8408 5.9553 5.9650 6.2138 6.2283 6.2578 6.2619 6.3289 6.3474 6.8309 6.8904 6.8907 6.9537 6.9557 6.9704 9.9585 9.9840 10.1715 10.1970 10.3023 10.3161 10.5788 10.5869 10.6431 10.6506 10.8458 10.8743 k = 0.2188 0.2187 0.2187 ( 7451 PWs) bands (ev): -10.2190 -10.2167 -10.0401 -10.0253 -9.9591 -9.9573 -9.9139 -9.9057 -4.4661 -4.4658 -4.1596 -4.1564 -4.0455 -4.0442 -3.9413 -3.9399 2.3644 2.3655 2.4709 2.4738 2.6232 2.6254 2.8596 2.8606 2.8856 2.8882 3.1773 3.1853 3.1963 3.2043 3.3087 3.3207 3.5003 3.5006 3.7534 3.7540 4.0416 4.0521 4.6765 4.6769 5.1721 5.1796 5.3194 5.3232 5.4308 5.4378 5.5083 5.5191 5.8544 5.8584 5.9406 5.9471 6.2032 6.2265 6.2286 6.2295 6.3368 6.3562 6.7987 6.8567 6.8590 6.9234 6.9255 6.9416 9.9322 9.9582 10.1710 10.1987 10.2858 10.3011 10.5804 10.5918 10.6438 10.6507 10.8548 10.8845 k = 0.2292 0.2292 0.2292 ( 7460 PWs) bands (ev): -10.2101 -10.2075 -10.0433 -10.0288 -9.9608 -9.9586 -9.9158 -9.9078 -4.4597 -4.4594 -4.1692 -4.1660 -4.0530 -4.0516 -3.9495 -3.9480 2.3948 2.3955 2.4913 2.4945 2.6676 2.6701 2.8812 2.8831 2.9009 2.9022 3.1985 3.2080 3.2215 3.2312 3.2966 3.3067 3.4937 3.4948 3.7430 3.7433 4.0504 4.0605 4.6733 4.6739 5.1427 5.1486 5.2800 5.2852 5.4092 5.4134 5.4939 5.5038 5.8730 5.8770 5.9195 5.9239 6.1860 6.2076 6.2174 6.2216 6.3416 6.3619 6.7684 6.8247 6.8277 6.8914 6.8963 6.9118 9.9046 9.9310 10.1692 10.1989 10.2677 10.2843 10.5798 10.5940 10.6432 10.6495 10.8666 10.8971 k = 0.2396 0.2396 0.2396 ( 7460 PWs) bands (ev): -10.2010 -10.1983 -10.0464 -10.0320 -9.9626 -9.9600 -9.9181 -9.9102 -4.4528 -4.4524 -4.1783 -4.1751 -4.0605 -4.0591 -3.9581 -3.9566 2.4252 2.4254 2.5103 2.5136 2.7103 2.7132 2.8969 2.9068 2.9118 2.9174 3.2086 3.2209 3.2549 3.2663 3.2850 3.2932 3.4992 3.5012 3.7316 3.7316 4.0615 4.0712 4.6671 4.6687 5.1115 5.1157 5.2406 5.2470 5.3905 5.3921 5.4790 5.4881 5.8847 5.8941 5.8961 5.9047 6.1737 6.1968 6.2079 6.2134 6.3432 6.3647 6.7405 6.7948 6.7969 6.8599 6.8667 6.8814 9.8765 9.9032 10.1666 10.1978 10.2475 10.2654 10.5770 10.5935 10.6415 10.6472 10.8802 10.9110 k = 0.2500 0.2500 0.2500 ( 7466 PWs) bands (ev): -10.1920 -10.1890 -10.0492 -10.0350 -9.9644 -9.9614 -9.9206 -9.9128 -4.4453 -4.4448 -4.1870 -4.1838 -4.0679 -4.0664 -3.9673 -3.9657 2.4552 2.4554 2.5278 2.5313 2.7507 2.7540 2.9061 2.9184 2.9302 2.9378 3.2086 3.2222 3.2735 3.2786 3.2966 3.3099 3.5170 3.5199 3.7192 3.7196 4.0746 4.0840 4.6571 4.6597 5.0783 5.0812 5.2024 5.2097 5.3743 5.3752 5.4638 5.4722 5.8645 5.8674 5.9153 5.9170 6.1663 6.1931 6.1979 6.2019 6.3419 6.3647 6.7150 6.7667 6.7672 6.8289 6.8371 6.8508 9.8484 9.8754 10.1634 10.1957 10.2253 10.2444 10.5719 10.5900 10.6392 10.6442 10.8941 10.9248 k = 0.2604 0.2604 0.2604 ( 7457 PWs) bands (ev): -10.1830 -10.1797 -10.0517 -10.0378 -9.9662 -9.9629 -9.9233 -9.9157 -4.4372 -4.4366 -4.1953 -4.1921 -4.0751 -4.0737 -3.9769 -3.9753 2.4849 2.4855 2.5441 2.5477 2.7878 2.7916 2.9121 2.9233 2.9533 2.9598 3.2017 3.2157 3.2616 3.2659 3.3439 3.3568 3.5450 3.5485 3.7068 3.7076 4.0895 4.0985 4.6424 4.6458 5.0436 5.0452 5.1668 5.1748 5.3601 5.3632 5.4484 5.4562 5.8393 5.8419 5.9341 5.9355 6.1584 6.1872 6.1902 6.1942 6.3382 6.3623 6.6923 6.7371 6.7423 6.7984 6.8080 6.8206 9.8209 9.8480 10.1599 10.1926 10.2010 10.2217 10.5643 10.5836 10.6364 10.6408 10.9068 10.9365 k = 0.2708 0.2708 0.2708 ( 7460 PWs) bands (ev): -10.1740 -10.1705 -10.0540 -10.0402 -9.9681 -9.9644 -9.9264 -9.9189 -4.4286 -4.4279 -4.2030 -4.1998 -4.0823 -4.0808 -3.9870 -3.9852 2.5144 2.5154 2.5592 2.5629 2.8207 2.8249 2.9170 2.9275 2.9758 2.9818 3.1917 3.2053 3.2498 3.2537 3.3936 3.4059 3.5799 3.5838 3.6958 3.6973 4.1057 4.1145 4.6220 4.6260 5.0077 5.0082 5.1351 5.1434 5.3496 5.3545 5.4329 5.4401 5.8164 5.8188 5.9520 5.9536 6.1443 6.1693 6.1888 6.1985 6.3324 6.3578 6.6724 6.7081 6.7201 6.7686 6.7799 6.7915 9.7945 9.8217 10.1563 10.1747 10.1860 10.1998 10.5543 10.5742 10.6335 10.6373 10.9164 10.9440 k = 0.2812 0.2812 0.2812 ( 7454 PWs) bands (ev): -10.1651 -10.1613 -10.0560 -10.0424 -9.9700 -9.9660 -9.9296 -9.9223 -4.4194 -4.4187 -4.2102 -4.2070 -4.0894 -4.0878 -3.9974 -3.9956 2.5437 2.5451 2.5732 2.5771 2.8484 2.8529 2.9219 2.9320 2.9975 3.0034 3.1814 3.1942 3.2386 3.2423 3.4418 3.4528 3.6192 3.6232 3.6892 3.6919 4.1230 4.1317 4.5958 4.6000 4.9706 4.9711 5.1083 5.1165 5.3426 5.3491 5.4175 5.4241 5.7964 5.7986 5.9683 5.9702 6.1240 6.1484 6.1928 6.2050 6.3251 6.3518 6.6552 6.6798 6.7004 6.7396 6.7535 6.7639 9.7695 9.7969 10.1464 10.1528 10.1648 10.1904 10.5417 10.5619 10.6306 10.6342 10.9214 10.9460 k = 0.2917 0.2917 0.2917 ( 7448 PWs) bands (ev): -10.1563 -10.1522 -10.0577 -10.0443 -9.9719 -9.9676 -9.9331 -9.9259 -4.4099 -4.4090 -4.2169 -4.2137 -4.0962 -4.0947 -4.0081 -4.0063 2.5728 2.5745 2.5865 2.5904 2.8698 2.8743 2.9273 2.9370 3.0182 3.0243 3.1727 3.1848 3.2284 3.2319 3.4816 3.4903 3.6613 3.6649 3.6934 3.6977 4.1409 4.1495 4.5644 4.5684 4.9330 4.9342 5.0866 5.0943 5.3389 5.3468 5.4022 5.4081 5.7788 5.7808 5.9822 5.9846 6.0996 6.1252 6.2002 6.2133 6.3170 6.3445 6.6407 6.6524 6.6832 6.7118 6.7292 6.7386 9.7465 9.7738 10.1163 10.1363 10.1495 10.1864 10.5267 10.5467 10.6282 10.6316 10.9211 10.9427 k = 0.3021 0.3021 0.3021 ( 7457 PWs) bands (ev): -10.1477 -10.1433 -10.0590 -10.0459 -9.9739 -9.9694 -9.9368 -9.9297 -4.3998 -4.3989 -4.2229 -4.2198 -4.1030 -4.1014 -4.0191 -4.0172 2.5991 2.6017 2.6023 2.6043 2.8843 2.8886 2.9338 2.9429 3.0376 3.0440 3.1670 3.1783 3.2196 3.2226 3.5042 3.5098 3.7052 3.7063 3.7177 3.7226 4.1590 4.1676 4.5288 4.5325 4.8958 4.8976 5.0695 5.0763 5.3384 5.3472 5.3873 5.3923 5.7625 5.7645 5.9927 5.9961 6.0720 6.1003 6.2101 6.2236 6.3085 6.3364 6.6262 6.6287 6.6673 6.6865 6.7076 6.7159 9.7257 9.7529 10.0849 10.1057 10.1465 10.1831 10.5092 10.5285 10.6263 10.6299 10.9158 10.9349 k = 0.3125 0.3125 0.3125 ( 7442 PWs) bands (ev): -10.1392 -10.1345 -10.0601 -10.0472 -9.9760 -9.9711 -9.9407 -9.9337 -4.3895 -4.3884 -4.2284 -4.2253 -4.1096 -4.1079 -4.0303 -4.0284 2.6113 2.6150 2.6303 2.6326 2.8920 2.8957 2.9413 2.9498 3.0557 3.0626 3.1645 3.1750 3.2122 3.2144 3.5068 3.5102 3.7500 3.7506 3.7606 3.7672 4.1769 4.1856 4.4909 4.4940 4.8596 4.8619 5.0563 5.0621 5.3407 5.3497 5.3733 5.3766 5.7463 5.7484 5.9980 6.0041 6.0422 6.0754 6.2225 6.2359 6.2999 6.3275 6.6018 6.6190 6.6497 6.6670 6.6889 6.6964 9.7074 9.7345 10.0523 10.0737 10.1437 10.1801 10.4892 10.5076 10.6253 10.6291 10.9065 10.9241 k = 0.3229 0.3229 0.3229 ( 7436 PWs) bands (ev): -10.1310 -10.1259 -10.0609 -10.0481 -9.9781 -9.9730 -9.9448 -9.9379 -4.3788 -4.3776 -4.2332 -4.2302 -4.1160 -4.1143 -4.0417 -4.0397 2.6232 2.6269 2.6586 2.6610 2.8935 2.8964 2.9500 2.9578 3.0723 3.0799 3.1643 3.1741 3.2064 3.2074 3.4953 3.4976 3.7954 3.7985 3.8144 3.8247 4.1942 4.2031 4.4524 4.4549 4.8251 4.8277 5.0460 5.0507 5.3459 5.3497 5.3611 5.3647 5.7288 5.7311 5.9947 6.0081 6.0106 6.0537 6.2379 6.2507 6.2910 6.3176 6.5799 6.6113 6.6295 6.6548 6.6734 6.6801 9.6918 9.7187 10.0191 10.0409 10.1412 10.1771 10.4668 10.4839 10.6251 10.6295 10.8943 10.9111 k = 0.3333 0.3333 0.3333 ( 7436 PWs) bands (ev): -10.1229 -10.1175 -10.0613 -10.0488 -9.9802 -9.9749 -9.9490 -9.9423 -4.3679 -4.3666 -4.2374 -4.2344 -4.1222 -4.1205 -4.0532 -4.0511 2.6350 2.6386 2.6865 2.6891 2.8903 2.8923 2.9600 2.9671 3.0871 3.0956 3.1650 3.1741 3.2017 3.2020 3.4759 3.4776 3.8410 3.8447 3.8770 3.8887 4.2106 4.2198 4.4151 4.4170 4.7930 4.7959 5.0380 5.0416 5.3393 5.3459 5.3535 5.3694 5.7088 5.7115 5.9777 5.9791 6.0077 6.0393 6.2567 6.2665 6.2827 6.3059 6.5618 6.6055 6.6106 6.6466 6.6611 6.6672 9.6791 9.7057 9.9857 10.0079 10.1386 10.1741 10.4422 10.4576 10.6261 10.6311 10.8802 10.8967 k = 0.3438 0.3437 0.3437 ( 7430 PWs) bands (ev): -10.1151 -10.1093 -10.0614 -10.0491 -9.9824 -9.9769 -9.9533 -9.9468 -4.3568 -4.3554 -4.2410 -4.2380 -4.1283 -4.1265 -4.0648 -4.0626 2.6470 2.6504 2.7140 2.7166 2.8838 2.8850 2.9710 2.9776 3.1003 3.1097 3.1652 3.1734 3.1972 3.1986 3.4519 3.4535 3.8862 3.8899 3.9433 3.9555 4.2259 4.2353 4.3804 4.3818 4.7640 4.7673 5.0315 5.0342 5.3259 5.3311 5.3636 5.3797 5.6855 5.6886 5.9440 5.9535 6.0032 6.0299 6.2635 6.2790 6.2913 6.2936 6.5484 6.5956 6.6013 6.6410 6.6519 6.6575 9.6695 9.6957 9.9528 9.9753 10.1359 10.1707 10.4154 10.4290 10.6282 10.6340 10.8648 10.8813 k = 0.3542 0.3542 0.3542 ( 7433 PWs) bands (ev): -10.1075 -10.1014 -10.0612 -10.0491 -9.9846 -9.9790 -9.9578 -9.9514 -4.3456 -4.3441 -4.2439 -4.2409 -4.1342 -4.1324 -4.0763 -4.0741 2.6592 2.6624 2.7411 2.7437 2.8755 2.8761 2.9831 2.9891 3.1116 3.1221 3.1639 3.1707 3.1939 3.1957 3.4251 3.4267 3.9308 3.9344 4.0100 4.0224 4.2397 4.2494 4.3498 4.3506 4.7393 4.7429 5.0265 5.0283 5.3125 5.3167 5.3759 5.3927 5.6584 5.6620 5.9100 5.9235 5.9948 6.0209 6.2463 6.2728 6.3048 6.3177 6.5409 6.5857 6.5985 6.6371 6.6455 6.6506 9.6630 9.6888 9.9209 9.9437 10.1327 10.1667 10.3866 10.3981 10.6316 10.6383 10.8485 10.8654 k = 0.3646 0.3646 0.3646 ( 7439 PWs) bands (ev): -10.1002 -10.0938 -10.0607 -10.0487 -9.9869 -9.9811 -9.9623 -9.9561 -4.3344 -4.3328 -4.2461 -4.2432 -4.1400 -4.1381 -4.0878 -4.0856 2.6718 2.6748 2.7675 2.7701 2.8666 2.8667 2.9960 3.0015 3.1211 3.1327 3.1600 3.1648 3.1916 3.1933 3.3966 3.3982 3.9743 3.9777 4.0747 4.0870 4.2520 4.2618 4.3240 4.3241 4.7203 4.7242 5.0226 5.0237 5.2995 5.3029 5.3902 5.4080 5.6276 5.6317 5.8760 5.8918 5.9831 6.0101 6.2230 6.2494 6.3337 6.3455 6.5394 6.5812 6.5972 6.6349 6.6416 6.6462 9.6597 9.6851 9.8907 9.9137 10.1288 10.1618 10.3560 10.3653 10.6363 10.6440 10.8319 10.8494 k = 0.3750 0.3750 0.3750 ( 7451 PWs) bands (ev): -10.0931 -10.0864 -10.0598 -10.0481 -9.9892 -9.9834 -9.9670 -9.9609 -4.3232 -4.3216 -4.2477 -4.2448 -4.1457 -4.1437 -4.0993 -4.0970 2.6849 2.6878 2.7932 2.7957 2.8575 2.8581 3.0095 3.0145 3.1288 3.1415 3.1526 3.1553 3.1902 3.1916 3.3669 3.3687 4.0164 4.0196 4.1349 4.1469 4.2626 4.2722 4.3029 4.3037 4.7089 4.7130 5.0199 5.0204 5.2871 5.2897 5.4064 5.4252 5.5934 5.5978 5.8425 5.8598 5.9685 5.9972 6.1942 6.2209 6.3650 6.3758 6.5431 6.5820 6.5971 6.6340 6.6396 6.6438 9.6597 9.6846 9.8629 9.8860 10.1237 10.1555 10.3238 10.3307 10.6422 10.6511 10.8153 10.8336 k = 0.3854 0.3854 0.3854 ( 7451 PWs) bands (ev): -10.0863 -10.0793 -10.0586 -10.0471 -9.9916 -9.9858 -9.9716 -9.9658 -4.3122 -4.3104 -4.2485 -4.2457 -4.1512 -4.1492 -4.1105 -4.1083 2.6988 2.7014 2.8178 2.8205 2.8494 2.8507 3.0236 3.0280 3.1345 3.1417 3.1420 3.1486 3.1896 3.1905 3.3365 3.3386 4.0568 4.0598 4.1880 4.1992 4.2717 4.2788 4.2871 4.2908 4.7072 4.7114 5.0185 5.0186 5.2753 5.2773 5.4243 5.4442 5.5563 5.5610 5.8099 5.8283 5.9518 5.9820 6.1603 6.1877 6.3980 6.4077 6.5510 6.5869 6.5981 6.6342 6.6394 6.6430 9.6630 9.6872 9.8381 9.8612 10.1169 10.1474 10.2901 10.2946 10.6494 10.6595 10.7995 10.8185 k = 0.3958 0.3958 0.3958 ( 7463 PWs) bands (ev): -10.0798 -10.0726 -10.0571 -10.0458 -9.9940 -9.9884 -9.9762 -9.9707 -4.3014 -4.2995 -4.2487 -4.2459 -4.1566 -4.1545 -4.1216 -4.1193 2.7134 2.7158 2.8381 2.8427 2.8440 2.8479 3.0379 3.0418 3.1247 3.1252 3.1410 3.1540 3.1892 3.1899 3.3061 3.3085 4.0950 4.0977 4.2314 4.2408 4.2751 4.2767 4.2795 4.2915 4.7177 4.7216 5.0183 5.0185 5.2643 5.2657 5.4437 5.4648 5.5170 5.5220 5.7787 5.7980 5.9331 5.9649 6.1222 6.1504 6.4316 6.4402 6.5615 6.5948 6.6002 6.6355 6.6403 6.6434 9.6695 9.6931 9.8169 9.8401 10.1079 10.1371 10.2552 10.2572 10.6579 10.6691 10.7848 10.8048 k = 0.4062 0.4062 0.4062 ( 7463 PWs) bands (ev): -10.0736 -10.0662 -10.0551 -10.0442 -9.9965 -9.9911 -9.9808 -9.9756 -4.2908 -4.2888 -4.2481 -4.2454 -4.1620 -4.1598 -4.1325 -4.1302 2.7290 2.7310 2.8377 2.8379 2.8659 2.8662 3.0522 3.0554 3.1054 3.1059 3.1449 3.1581 3.1888 3.1891 3.2760 3.2789 4.1306 4.1332 4.2626 4.2691 4.2704 4.2718 4.2872 4.2962 4.7414 4.7446 5.0197 5.0202 5.2541 5.2550 5.4632 5.4762 5.4827 5.4867 5.7494 5.7694 5.9130 5.9462 6.0808 6.1097 6.4650 6.4724 6.5735 6.6031 6.6046 6.6375 6.6423 6.6447 9.6791 9.7020 9.8000 9.8231 10.0965 10.1242 10.2187 10.2193 10.6674 10.6798 10.7721 10.7929 k = 0.4167 0.4167 0.4167 ( 7463 PWs) bands (ev): -10.0678 -10.0605 -10.0526 -10.0422 -9.9991 -9.9940 -9.9853 -9.9805 -4.2805 -4.2784 -4.2469 -4.2442 -4.1673 -4.1651 -4.1431 -4.1407 2.7454 2.7471 2.8348 2.8356 2.8863 2.8865 3.0664 3.0687 3.0834 3.0842 3.1482 3.1610 3.1877 3.1878 3.2467 3.2503 4.1635 4.1658 4.2680 4.2691 4.2822 4.2857 4.2972 4.2999 4.7775 4.7798 5.0231 5.0237 5.2447 5.2451 5.4346 5.4384 5.4881 5.5099 5.7225 5.7432 5.8915 5.9260 6.0366 6.0663 6.4971 6.5031 6.5862 6.6069 6.6150 6.6403 6.6449 6.6466 9.6918 9.7139 9.7878 9.8107 10.0821 10.1083 10.1795 10.1827 10.6780 10.6914 10.7620 10.7834 k = 0.4271 0.4271 0.4271 ( 7469 PWs) bands (ev): -10.0622 -10.0555 -10.0493 -10.0400 -10.0017 -9.9971 -9.9896 -9.9854 -4.2706 -4.2684 -4.2450 -4.2424 -4.1726 -4.1703 -4.1533 -4.1510 2.7628 2.7642 2.8341 2.8352 2.9044 2.9047 3.0591 3.0607 3.0801 3.0822 3.1508 3.1630 3.1855 3.1860 3.2191 3.2235 4.1932 4.1952 4.2695 4.2706 4.2870 4.2976 4.3024 4.3049 4.8229 4.8245 5.0286 5.0292 5.2358 5.2360 5.3928 5.3968 5.5110 5.5340 5.6986 5.7199 5.8690 5.9045 5.9905 6.0211 6.5269 6.5313 6.5988 6.6116 6.6254 6.6436 6.6479 6.6489 9.7073 9.7286 9.7808 9.8033 10.0647 10.0895 10.1398 10.1456 10.6894 10.7035 10.7552 10.7768 k = 0.4375 0.4375 0.4375 ( 7475 PWs) bands (ev): -10.0570 -10.0516 -10.0450 -10.0375 -10.0044 -10.0004 -9.9938 -9.9902 -4.2611 -4.2589 -4.2424 -4.2398 -4.1779 -4.1756 -4.1633 -4.1608 2.7811 2.7821 2.8358 2.8371 2.9191 2.9201 3.0343 3.0361 3.0932 3.0944 3.1527 3.1641 3.1821 3.1828 3.1939 3.1996 4.2194 4.2212 4.2731 4.2743 4.2893 4.3033 4.3037 4.3078 4.8742 4.8751 5.0364 5.0370 5.2273 5.2273 5.3515 5.3554 5.5352 5.5590 5.6786 5.7005 5.8455 5.8820 5.9432 5.9746 6.5533 6.5560 6.6112 6.6174 6.6350 6.6472 6.6512 6.6514 9.7256 9.7461 9.7791 9.8013 10.0442 10.0676 10.0998 10.1082 10.7015 10.7156 10.7525 10.7735 k = 0.4479 0.4479 0.4479 ( 7478 PWs) bands (ev): -10.0521 -10.0484 -10.0402 -10.0347 -10.0071 -10.0040 -9.9977 -9.9950 -4.2520 -4.2497 -4.2392 -4.2366 -4.1833 -4.1809 -4.1728 -4.1703 2.8003 2.8009 2.8399 2.8414 2.9297 2.9314 3.0093 3.0111 3.1054 3.1058 3.1539 3.1640 3.1724 3.1754 3.1777 3.1828 4.2420 4.2436 4.2780 4.2792 4.2904 4.3042 4.3052 4.3072 4.9276 4.9283 5.0468 5.0472 5.2187 5.2187 5.3113 5.3149 5.5603 5.5846 5.6632 5.6856 5.8213 5.8587 5.8954 5.9279 6.5749 6.5760 6.6235 6.6247 6.6434 6.6509 6.6539 6.6544 9.7465 9.7660 9.7830 9.8046 10.0208 10.0432 10.0600 10.0709 10.7140 10.7265 10.7548 10.7734 k = 0.4583 0.4583 0.4583 ( 7484 PWs) bands (ev): -10.0476 -10.0454 -10.0353 -10.0317 -10.0099 -10.0076 -10.0015 -9.9997 -4.2434 -4.2411 -4.2352 -4.2327 -4.1889 -4.1864 -4.1818 -4.1794 2.8202 2.8203 2.8466 2.8482 2.9349 2.9373 2.9845 2.9865 3.1162 3.1166 3.1543 3.1557 3.1590 3.1657 3.1721 3.1761 4.2607 4.2620 4.2833 4.2844 4.2909 4.3043 4.3047 4.3053 4.9803 4.9810 5.0600 5.0602 5.2093 5.2095 5.2727 5.2758 5.5859 5.6104 5.6536 5.6762 5.7963 5.8347 5.8482 5.8819 6.5907 6.5907 6.6339 6.6357 6.6502 6.6546 6.6563 6.6574 9.7696 9.7882 9.7924 9.8131 9.9950 10.0166 10.0207 10.0340 10.7265 10.7356 10.7624 10.7766 k = 0.4688 0.4687 0.4687 ( 7484 PWs) bands (ev): -10.0437 -10.0425 -10.0305 -10.0284 -10.0125 -10.0110 -10.0053 -10.0043 -4.2352 -4.2329 -4.2306 -4.2282 -4.1946 -4.1920 -4.1904 -4.1879 2.8403 2.8406 2.8558 2.8576 2.9341 2.9368 2.9607 2.9627 3.1254 3.1266 3.1450 3.1499 3.1537 3.1633 3.1657 3.1702 4.2753 4.2763 4.2881 4.2891 4.2912 4.3016 4.3043 4.3049 5.0297 5.0305 5.0761 5.0761 5.1982 5.1987 5.2361 5.2388 5.6121 5.6361 5.6508 5.6733 5.7708 5.8027 5.8104 5.8382 6.6006 6.6009 6.6441 6.6467 6.6553 6.6580 6.6585 6.6598 9.7948 9.8071 9.8123 9.8267 9.9674 9.9824 9.9886 9.9982 10.7387 10.7437 10.7740 10.7829 k = 0.4792 0.4792 0.4792 ( 7484 PWs) bands (ev): -10.0404 -10.0400 -10.0259 -10.0249 -10.0148 -10.0141 -10.0092 -10.0087 -4.2274 -4.2254 -4.2252 -4.2231 -4.2005 -4.1985 -4.1979 -4.1960 2.8603 2.8612 2.8676 2.8694 2.9270 2.9298 2.9381 2.9402 3.1333 3.1352 3.1405 3.1453 3.1521 3.1587 3.1609 3.1641 4.2855 4.2861 4.2917 4.2918 4.2923 4.2985 4.3048 4.3050 5.0738 5.0750 5.0950 5.0954 5.1842 5.1850 5.2020 5.2042 5.6386 5.6559 5.6607 5.6771 5.7448 5.7604 5.7866 5.7989 6.6067 6.6068 6.6533 6.6555 6.6590 6.6603 6.6606 6.6615 9.8216 9.8268 9.8378 9.8447 9.9384 9.9457 9.9601 9.9642 10.7497 10.7516 10.7876 10.7920 k = 0.4896 0.4896 0.4896 ( 7484 PWs) bands (ev): -10.0381 -10.0380 -10.0214 -10.0211 -10.0166 -10.0163 -10.0131 -10.0130 -4.2201 -4.2196 -4.2181 -4.2176 -4.2066 -4.2061 -4.2039 -4.2034 2.8800 2.8813 2.8819 2.8837 2.9146 2.9172 2.9173 2.9194 3.1400 3.1412 3.1419 3.1449 3.1493 3.1516 3.1579 3.1586 4.2915 4.2917 4.2925 4.2937 4.2939 4.2959 4.3058 4.3058 5.1115 5.1127 5.1170 5.1178 5.1660 5.1671 5.1706 5.1724 5.6652 5.6698 5.6816 5.6864 5.7185 5.7231 5.7654 5.7679 6.6100 6.6100 6.6597 6.6609 6.6613 6.6617 6.6622 6.6623 9.8499 9.8511 9.8631 9.8655 9.9088 9.9111 9.9328 9.9337 10.7582 10.7585 10.8023 10.8040 k = 0.5000 0.5000 0.5000 ( 7400 PWs) bands (ev): -10.0373 -10.0373 -10.0172 -10.0172 -10.0172 -10.0172 -10.0172 -10.0172 -4.2131 -4.2131 -4.2131 -4.2131 -4.2131 -4.2131 -4.2084 -4.2084 2.8985 2.8985 2.8985 2.8985 2.8985 2.8985 2.9024 2.9024 3.1454 3.1454 3.1454 3.1454 3.1454 3.1454 3.1560 3.1560 4.2938 4.2938 4.2938 4.2938 4.2938 4.2938 4.3063 4.3063 5.1421 5.1421 5.1421 5.1421 5.1421 5.1421 5.1450 5.1450 5.6922 5.6922 5.6922 5.6922 5.6922 5.6922 5.7548 5.7548 6.6110 6.6110 6.6624 6.6624 6.6624 6.6624 6.6624 6.6624 9.8793 9.8793 9.8793 9.8793 9.8793 9.8793 9.9164 9.9164 10.7616 10.7616 10.8166 10.8166 k = 0.5000 0.5000 0.5000 ( 7400 PWs) bands (ev): -10.0373 -10.0373 -10.0172 -10.0172 -10.0172 -10.0172 -10.0172 -10.0172 -4.2131 -4.2131 -4.2131 -4.2131 -4.2131 -4.2131 -4.2084 -4.2084 2.8985 2.8985 2.8985 2.8985 2.8985 2.8985 2.9024 2.9024 3.1454 3.1454 3.1454 3.1454 3.1454 3.1454 3.1560 3.1560 4.2938 4.2938 4.2938 4.2938 4.2938 4.2938 4.3063 4.3063 5.1421 5.1421 5.1421 5.1421 5.1421 5.1421 5.1450 5.1450 5.6922 5.6922 5.6922 5.6922 5.6922 5.6922 5.7548 5.7548 6.6110 6.6110 6.6624 6.6624 6.6624 6.6624 6.6624 6.6624 9.8793 9.8793 9.8793 9.8793 9.8793 9.8793 9.9164 9.9164 10.7616 10.7616 10.8166 10.8166 k = 0.4875 0.5000 0.4875 ( 7482 PWs) bands (ev): -10.0380 -10.0380 -10.0212 -10.0212 -10.0164 -10.0164 -10.0132 -10.0132 -4.2197 -4.2197 -4.2177 -4.2177 -4.2065 -4.2065 -4.2038 -4.2038 2.8812 2.8812 2.8828 2.8828 2.9156 2.9156 2.9180 2.9180 3.1406 3.1406 3.1433 3.1433 3.1506 3.1506 3.1582 3.1582 4.2919 4.2919 4.2926 4.2926 4.2951 4.2951 4.3058 4.3058 5.1145 5.1145 5.1162 5.1162 5.1675 5.1675 5.1695 5.1695 5.6679 5.6679 5.6843 5.6843 5.7202 5.7202 5.7662 5.7662 6.6101 6.6101 6.6604 6.6604 6.6615 6.6615 6.6622 6.6622 9.8510 9.8510 9.8648 9.8648 9.9094 9.9094 9.9328 9.9328 10.7585 10.7585 10.8030 10.8038 k = 0.4750 0.5000 0.4750 ( 7482 PWs) bands (ev): -10.0401 -10.0401 -10.0252 -10.0252 -10.0145 -10.0145 -10.0091 -10.0091 -4.2262 -4.2262 -4.2239 -4.2239 -4.1998 -4.1998 -4.1972 -4.1972 2.8643 2.8643 2.8657 2.8657 2.9321 2.9321 2.9347 2.9347 3.1365 3.1365 3.1395 3.1395 3.1562 3.1562 3.1627 3.1627 4.2877 4.2877 4.2895 4.2895 4.2963 4.2963 4.3048 4.3048 5.0846 5.0846 5.0872 5.0872 5.1915 5.1915 5.1942 5.1942 5.6478 5.6478 5.6697 5.6697 5.7515 5.7515 5.7916 5.7916 6.6070 6.6070 6.6552 6.6552 6.6587 6.6587 6.6616 6.6616 9.8251 9.8251 9.8421 9.8421 9.9409 9.9409 9.9610 9.9610 10.7511 10.7511 10.7901 10.7901 k = 0.4625 0.5000 0.4625 ( 7482 PWs) bands (ev): -10.0429 -10.0429 -10.0293 -10.0293 -10.0118 -10.0118 -10.0051 -10.0051 -4.2326 -4.2326 -4.2302 -4.2302 -4.1930 -4.1930 -4.1903 -4.1903 2.8480 2.8480 2.8493 2.8493 2.9472 2.9472 2.9499 2.9499 3.1333 3.1333 3.1360 3.1360 3.1624 3.1624 3.1679 3.1679 4.2806 4.2806 4.2838 4.2838 4.2973 4.2973 4.3044 4.3044 5.0526 5.0526 5.0563 5.0563 5.2147 5.2147 5.2180 5.2180 5.6321 5.6321 5.6560 5.6560 5.7854 5.7854 5.8227 5.8227 6.6016 6.6016 6.6468 6.6468 6.6543 6.6543 6.6606 6.6606 9.8020 9.8020 9.8204 9.8204 9.9732 9.9732 9.9919 9.9919 10.7421 10.7421 10.7786 10.7786 k = 0.4500 0.5000 0.4500 ( 7482 PWs) bands (ev): -10.0461 -10.0461 -10.0333 -10.0333 -10.0087 -10.0087 -10.0011 -10.0011 -4.2390 -4.2390 -4.2364 -4.2364 -4.1860 -4.1860 -4.1831 -4.1831 2.8325 2.8325 2.8336 2.8336 2.9598 2.9598 2.9626 2.9626 3.1310 3.1310 3.1339 3.1339 3.1695 3.1695 3.1741 3.1741 4.2709 4.2709 4.2751 4.2751 4.2982 4.2982 4.3050 4.3050 5.0190 5.0190 5.0238 5.0238 5.2373 5.2373 5.2414 5.2414 5.6207 5.6207 5.6453 5.6453 5.8210 5.8210 5.8567 5.8567 6.5935 6.5935 6.6353 6.6353 6.6492 6.6492 6.6592 6.6592 9.7818 9.7818 9.8013 9.8013 10.0060 10.0060 10.0236 10.0236 10.7330 10.7330 10.7685 10.7685 k = 0.4375 0.5000 0.4375 ( 7480 PWs) bands (ev): -10.0497 -10.0497 -10.0374 -10.0374 -10.0054 -10.0054 -9.9971 -9.9971 -4.2454 -4.2454 -4.2426 -4.2426 -4.1789 -4.1789 -4.1758 -4.1758 2.8178 2.8178 2.8190 2.8190 2.9688 2.9688 2.9719 2.9719 3.1295 3.1295 3.1338 3.1338 3.1779 3.1779 3.1820 3.1820 4.2587 4.2587 4.2637 4.2637 4.2986 4.2986 4.3060 4.3060 4.9844 4.9844 4.9902 4.9902 5.2598 5.2598 5.2645 5.2645 5.6135 5.6135 5.6383 5.6383 5.8577 5.8577 5.8922 5.8922 6.5822 6.5822 6.6207 6.6207 6.6440 6.6440 6.6577 6.6577 9.7650 9.7650 9.7852 9.7852 10.0385 10.0385 10.0555 10.0555 10.7247 10.7247 10.7600 10.7600 k = 0.4250 0.5000 0.4250 ( 7468 PWs) bands (ev): -10.0534 -10.0534 -10.0415 -10.0415 -10.0020 -10.0020 -9.9931 -9.9931 -4.2517 -4.2517 -4.2488 -4.2488 -4.1717 -4.1717 -4.1681 -4.1681 2.8040 2.8040 2.8054 2.8054 2.9734 2.9734 2.9772 2.9772 3.1287 3.1287 3.1353 3.1353 3.1882 3.1882 3.1925 3.1925 4.2443 4.2443 4.2499 4.2499 4.2983 4.2983 4.3068 4.3068 4.9498 4.9498 4.9565 4.9565 5.2821 5.2821 5.2873 5.2873 5.6102 5.6102 5.6350 5.6350 5.8947 5.8947 5.9283 5.9283 6.5676 6.5676 6.6035 6.6035 6.6392 6.6392 6.6561 6.6561 9.7518 9.7518 9.7725 9.7725 10.0702 10.0702 10.0870 10.0870 10.7176 10.7176 10.7533 10.7533 k = 0.4125 0.5000 0.4125 ( 7464 PWs) bands (ev): -10.0572 -10.0572 -10.0456 -10.0456 -9.9985 -9.9985 -9.9891 -9.9891 -4.2580 -4.2580 -4.2550 -4.2550 -4.1643 -4.1643 -4.1603 -4.1603 2.7910 2.7910 2.7927 2.7927 2.9737 2.9737 2.9783 2.9783 3.1283 3.1283 3.1372 3.1372 3.2012 3.2012 3.2062 3.2062 4.2278 4.2278 4.2340 4.2340 4.2970 4.2970 4.3067 4.3067 4.9163 4.9163 4.9237 4.9237 5.3043 5.3043 5.3099 5.3099 5.6105 5.6105 5.6352 5.6352 5.9313 5.9313 5.9642 5.9642 6.5502 6.5502 6.5839 6.5839 6.6352 6.6352 6.6547 6.6547 9.7422 9.7422 9.7634 9.7634 10.1007 10.1007 10.1176 10.1176 10.7121 10.7121 10.7486 10.7486 k = 0.4000 0.5000 0.4000 ( 7460 PWs) bands (ev): -10.0610 -10.0610 -10.0497 -10.0497 -9.9950 -9.9950 -9.9851 -9.9851 -4.2643 -4.2643 -4.2611 -4.2611 -4.1567 -4.1567 -4.1521 -4.1521 2.7790 2.7790 2.7810 2.7810 2.9701 2.9701 2.9756 2.9756 3.1278 3.1278 3.1385 3.1385 3.2171 3.2171 3.2231 3.2231 4.2094 4.2094 4.2162 4.2162 4.2943 4.2943 4.3053 4.3053 4.8850 4.8850 4.8931 4.8931 5.3260 5.3260 5.3319 5.3319 5.6141 5.6141 5.6389 5.6389 5.9671 5.9671 5.9993 5.9993 6.5304 6.5304 6.5622 6.5622 6.6320 6.6320 6.6535 6.6535 9.7364 9.7364 9.7580 9.7580 10.1295 10.1295 10.1468 10.1468 10.7083 10.7083 10.7458 10.7458 k = 0.3875 0.5000 0.3875 ( 7452 PWs) bands (ev): -10.0649 -10.0649 -10.0538 -10.0538 -9.9915 -9.9915 -9.9811 -9.9811 -4.2706 -4.2706 -4.2672 -4.2672 -4.1489 -4.1489 -4.1437 -4.1437 2.7677 2.7677 2.7701 2.7701 2.9634 2.9634 2.9700 2.9700 3.1269 3.1269 3.1388 3.1388 3.2357 3.2357 3.2424 3.2424 4.1890 4.1890 4.1966 4.1966 4.2900 4.2900 4.3023 4.3023 4.8569 4.8569 4.8656 4.8656 5.3471 5.3471 5.3531 5.3531 5.6208 5.6208 5.6458 5.6458 6.0013 6.0013 6.0331 6.0331 6.5090 6.5090 6.5392 6.5392 6.6298 6.6298 6.6530 6.6530 9.7343 9.7343 9.7562 9.7562 10.1563 10.1563 10.1742 10.1742 10.7064 10.7064 10.7449 10.7449 k = 0.3750 0.5000 0.3750 ( 7446 PWs) bands (ev): -10.0689 -10.0689 -10.0579 -10.0579 -9.9881 -9.9881 -9.9771 -9.9771 -4.2769 -4.2769 -4.2733 -4.2733 -4.1409 -4.1409 -4.1350 -4.1350 2.7572 2.7572 2.7598 2.7598 2.9544 2.9544 2.9621 2.9621 3.1254 3.1254 3.1380 3.1380 3.2561 3.2561 3.2635 3.2635 4.1667 4.1667 4.1751 4.1751 4.2840 4.2840 4.2974 4.2974 4.8330 4.8330 4.8422 4.8422 5.3672 5.3672 5.3733 5.3733 5.6302 5.6302 5.6555 5.6555 6.0333 6.0333 6.0648 6.0648 6.4868 6.4868 6.5155 6.5155 6.6287 6.6287 6.6533 6.6533 9.7359 9.7359 9.7580 9.7580 10.1809 10.1809 10.1996 10.1996 10.7064 10.7064 10.7460 10.7460 k = 0.3625 0.5000 0.3625 ( 7456 PWs) bands (ev): -10.0728 -10.0728 -10.0621 -10.0621 -9.9846 -9.9846 -9.9731 -9.9731 -4.2831 -4.2831 -4.2793 -4.2793 -4.1326 -4.1326 -4.1261 -4.1261 2.7471 2.7471 2.7501 2.7501 2.9440 2.9440 2.9526 2.9526 3.1231 3.1231 3.1361 3.1361 3.2773 3.2773 3.2854 3.2854 4.1423 4.1423 4.1515 4.1515 4.2765 4.2765 4.2908 4.2908 4.8140 4.8140 4.8235 4.8235 5.3863 5.3863 5.3921 5.3921 5.6420 5.6420 5.6677 5.6677 6.0624 6.0624 6.0938 6.0938 6.4650 6.4650 6.4920 6.4920 6.6288 6.6288 6.6548 6.6548 9.7410 9.7410 9.7633 9.7633 10.2031 10.2031 10.2227 10.2227 10.7084 10.7084 10.7488 10.7488 k = 0.3500 0.5000 0.3500 ( 7456 PWs) bands (ev): -10.0768 -10.0768 -10.0662 -10.0662 -9.9812 -9.9812 -9.9691 -9.9691 -4.2893 -4.2893 -4.2853 -4.2853 -4.1241 -4.1241 -4.1169 -4.1169 2.7374 2.7374 2.7408 2.7408 2.9326 2.9326 2.9422 2.9422 3.1203 3.1203 3.1334 3.1334 3.2985 3.2985 3.3074 3.3074 4.1158 4.1158 4.1259 4.1259 4.2682 4.2682 4.2828 4.2828 4.8002 4.8002 4.8099 4.8099 5.4041 5.4041 5.4097 5.4097 5.6558 5.6558 5.6818 5.6818 6.0876 6.0876 6.1194 6.1194 6.4448 6.4448 6.4700 6.4700 6.6305 6.6305 6.6577 6.6577 9.7495 9.7495 9.7720 9.7720 10.2229 10.2229 10.2435 10.2435 10.7124 10.7124 10.7532 10.7532 k = 0.3375 0.5000 0.3375 ( 7448 PWs) bands (ev): -10.0807 -10.0807 -10.0704 -10.0704 -9.9779 -9.9779 -9.9652 -9.9652 -4.2955 -4.2955 -4.2912 -4.2912 -4.1154 -4.1154 -4.1075 -4.1075 2.7279 2.7279 2.7316 2.7316 2.9208 2.9208 2.9313 2.9313 3.1168 3.1168 3.1299 3.1299 3.3190 3.3190 3.3287 3.3287 4.0873 4.0873 4.0981 4.0981 4.2596 4.2596 4.2743 4.2743 4.7914 4.7914 4.8012 4.8012 5.4206 5.4206 5.4259 5.4259 5.6709 5.6709 5.6973 5.6973 6.1079 6.1079 6.1405 6.1405 6.4277 6.4277 6.4510 6.4510 6.6338 6.6338 6.6623 6.6623 9.7610 9.7610 9.7838 9.7838 10.2404 10.2404 10.2619 10.2619 10.7180 10.7180 10.7589 10.7589 k = 0.3250 0.5000 0.3250 ( 7448 PWs) bands (ev): -10.0847 -10.0847 -10.0745 -10.0745 -9.9745 -9.9745 -9.9613 -9.9613 -4.3016 -4.3016 -4.2971 -4.2971 -4.1065 -4.1065 -4.0978 -4.0978 2.7183 2.7183 2.7222 2.7222 2.9089 2.9089 2.9202 2.9202 3.1128 3.1128 3.1257 3.1257 3.3380 3.3380 3.3487 3.3487 4.0568 4.0568 4.0683 4.0683 4.2516 4.2516 4.2659 4.2659 4.7873 4.7873 4.7971 4.7971 5.4357 5.4357 5.4410 5.4410 5.6867 5.6867 5.7135 5.7135 6.1222 6.1222 6.1560 6.1560 6.4153 6.4153 6.4369 6.4369 6.6390 6.6390 6.6688 6.6688 9.7755 9.7755 9.7985 9.7985 10.2558 10.2558 10.2780 10.2780 10.7250 10.7250 10.7657 10.7657 k = 0.3125 0.5000 0.3125 ( 7454 PWs) bands (ev): -10.0886 -10.0886 -10.0787 -10.0787 -9.9713 -9.9713 -9.9575 -9.9575 -4.3076 -4.3076 -4.3028 -4.3028 -4.0973 -4.0973 -4.0879 -4.0879 2.7083 2.7083 2.7124 2.7124 2.8974 2.8974 2.9095 2.9095 3.1083 3.1083 3.1209 3.1209 3.3552 3.3552 3.3669 3.3669 4.0248 4.0248 4.0367 4.0367 4.2448 4.2448 4.2584 4.2584 4.7872 4.7872 4.7968 4.7968 5.4495 5.4495 5.4550 5.4550 5.7024 5.7024 5.7297 5.7297 6.1300 6.1300 6.1649 6.1649 6.4089 6.4089 6.4295 6.4295 6.6463 6.6463 6.6774 6.6774 9.7924 9.7924 9.8157 9.8157 10.2692 10.2692 10.2920 10.2920 10.7332 10.7332 10.7733 10.7733 k = 0.3000 0.5000 0.3000 ( 7460 PWs) bands (ev): -10.0925 -10.0925 -10.0828 -10.0828 -9.9681 -9.9681 -9.9537 -9.9537 -4.3135 -4.3135 -4.3085 -4.3085 -4.0879 -4.0879 -4.0779 -4.0779 2.6977 2.6977 2.7020 2.7020 2.8867 2.8867 2.8993 2.8993 3.1032 3.1032 3.1155 3.1155 3.3701 3.3701 3.3829 3.3829 3.9918 3.9918 4.0040 4.0040 4.2395 4.2395 4.2524 4.2524 4.7904 4.7904 4.7997 4.7997 5.4620 5.4620 5.4682 5.4682 5.7175 5.7175 5.7451 5.7451 6.1315 6.1315 6.1670 6.1670 6.4091 6.4091 6.4296 6.4296 6.6557 6.6557 6.6882 6.6882 9.8117 9.8117 9.8352 9.8352 10.2810 10.2810 10.3041 10.3041 10.7421 10.7421 10.7813 10.7813 k = 0.2875 0.5000 0.2875 ( 7448 PWs) bands (ev): -10.0963 -10.0963 -10.0868 -10.0868 -9.9650 -9.9650 -9.9500 -9.9500 -4.3192 -4.3192 -4.3141 -4.3141 -4.0784 -4.0784 -4.0677 -4.0677 2.6862 2.6862 2.6906 2.6906 2.8770 2.8770 2.8900 2.8900 3.0976 3.0976 3.1094 3.1094 3.3824 3.3824 3.3962 3.3962 3.9585 3.9585 3.9709 3.9709 4.2358 4.2358 4.2480 4.2480 4.7963 4.7963 4.8052 4.8052 5.4733 5.4733 5.4804 5.4804 5.7313 5.7313 5.7592 5.7592 6.1281 6.1281 6.1635 6.1635 6.4154 6.4154 6.4368 6.4368 6.6674 6.6674 6.7011 6.7011 9.8328 9.8328 9.8566 9.8566 10.2913 10.2913 10.3145 10.3145 10.7515 10.7515 10.7894 10.7894 k = 0.2750 0.5000 0.2750 ( 7452 PWs) bands (ev): -10.1001 -10.1001 -10.0909 -10.0909 -9.9619 -9.9619 -9.9464 -9.9464 -4.3248 -4.3248 -4.3195 -4.3195 -4.0688 -4.0688 -4.0574 -4.0574 2.6737 2.6737 2.6782 2.6782 2.8686 2.8686 2.8819 2.8819 3.0913 3.0913 3.1026 3.1026 3.3920 3.3920 3.4067 3.4067 3.9256 3.9256 3.9381 3.9381 4.2337 4.2337 4.2454 4.2454 4.8041 4.8041 4.8126 4.8126 5.4835 5.4835 5.4917 5.4917 5.7434 5.7434 5.7716 5.7716 6.1220 6.1220 6.1566 6.1566 6.4268 6.4268 6.4495 6.4495 6.6814 6.6814 6.7162 6.7162 9.8555 9.8555 9.8796 9.8796 10.3004 10.3004 10.3235 10.3235 10.7609 10.7609 10.7973 10.7973 k = 0.2625 0.5000 0.2625 ( 7448 PWs) bands (ev): -10.1039 -10.1039 -10.0949 -10.0949 -9.9589 -9.9589 -9.9428 -9.9428 -4.3303 -4.3303 -4.3248 -4.3248 -4.0590 -4.0590 -4.0469 -4.0469 2.6600 2.6600 2.6646 2.6646 2.8617 2.8617 2.8749 2.8749 3.0844 3.0844 3.0950 3.0950 3.3988 3.3988 3.4143 3.4143 3.8937 3.8937 3.9063 3.9063 4.2328 4.2328 4.2445 4.2445 4.8134 4.8134 4.8213 4.8213 5.4926 5.4926 5.5019 5.5019 5.7540 5.7540 5.7821 5.7821 6.1149 6.1149 6.1485 6.1485 6.4418 6.4418 6.4662 6.4662 6.6975 6.6975 6.7332 6.7332 9.8795 9.8795 9.9039 9.9039 10.3086 10.3086 10.3313 10.3313 10.7699 10.7699 10.8048 10.8048 k = 0.2500 0.5000 0.2500 ( 7440 PWs) bands (ev): -10.1075 -10.1075 -10.0988 -10.0988 -9.9560 -9.9560 -9.9393 -9.9393 -4.3355 -4.3355 -4.3300 -4.3300 -4.0491 -4.0491 -4.0365 -4.0365 2.6451 2.6451 2.6498 2.6498 2.8562 2.8562 2.8694 2.8694 3.0767 3.0767 3.0867 3.0867 3.4031 3.4031 3.4190 3.4190 3.8634 3.8634 3.8761 3.8761 4.2329 4.2329 4.2447 4.2447 4.8234 4.8234 4.8308 4.8308 5.5005 5.5005 5.5108 5.5108 5.7631 5.7631 5.7909 5.7909 6.1085 6.1085 6.1409 6.1409 6.4593 6.4593 6.4855 6.4855 6.7157 6.7157 6.7521 6.7521 9.9044 9.9044 9.9290 9.9290 10.3158 10.3158 10.3379 10.3379 10.7781 10.7781 10.8117 10.8117 k = 0.2375 0.5000 0.2375 ( 7456 PWs) bands (ev): -10.1111 -10.1111 -10.1027 -10.1027 -9.9532 -9.9532 -9.9359 -9.9359 -4.3406 -4.3406 -4.3350 -4.3350 -4.0392 -4.0392 -4.0260 -4.0260 2.6291 2.6291 2.6340 2.6340 2.8521 2.8521 2.8651 2.8651 3.0681 3.0681 3.0777 3.0777 3.4049 3.4049 3.4210 3.4210 3.8352 3.8352 3.8480 3.8480 4.2334 4.2334 4.2458 4.2458 4.8338 4.8338 4.8405 4.8405 5.5072 5.5072 5.5185 5.5185 5.7715 5.7715 5.7986 5.7986 6.1034 6.1034 6.1348 6.1348 6.4785 6.4785 6.5064 6.5064 6.7359 6.7359 6.7725 6.7725 9.9299 9.9299 9.9548 9.9548 10.3224 10.3224 10.3436 10.3436 10.7853 10.7853 10.8179 10.8179 k = 0.2250 0.5000 0.2250 ( 7446 PWs) bands (ev): -10.1146 -10.1146 -10.1065 -10.1065 -9.9505 -9.9505 -9.9327 -9.9327 -4.3454 -4.3454 -4.3398 -4.3398 -4.0294 -4.0294 -4.0156 -4.0156 2.6121 2.6121 2.6172 2.6172 2.8493 2.8493 2.8619 2.8619 3.0588 3.0588 3.0681 3.0681 3.4046 3.4046 3.4206 3.4206 3.8095 3.8095 3.8225 3.8225 4.2340 4.2340 4.2470 4.2470 4.8440 4.8440 4.8501 4.8501 5.5128 5.5128 5.5252 5.5252 5.7797 5.7797 5.8058 5.8058 6.0999 6.0999 6.1305 6.1305 6.4987 6.4987 6.5282 6.5282 6.7576 6.7576 6.7944 6.7944 9.9558 9.9558 9.9808 9.9808 10.3282 10.3282 10.3482 10.3482 10.7909 10.7909 10.8234 10.8234 k = 0.2125 0.5000 0.2125 ( 7454 PWs) bands (ev): -10.1179 -10.1179 -10.1102 -10.1102 -9.9479 -9.9479 -9.9295 -9.9295 -4.3500 -4.3500 -4.3444 -4.3444 -4.0196 -4.0196 -4.0053 -4.0053 2.5942 2.5942 2.5996 2.5996 2.8473 2.8473 2.8597 2.8597 3.0486 3.0486 3.0580 3.0580 3.4025 3.4025 3.4182 3.4182 3.7864 3.7864 3.7998 3.7998 4.2342 4.2342 4.2479 4.2479 4.8535 4.8535 4.8590 4.8590 5.5174 5.5174 5.5312 5.5312 5.7886 5.7886 5.8133 5.8133 6.0979 6.0979 6.1280 6.1280 6.5196 6.5196 6.5504 6.5504 6.7808 6.7808 6.8173 6.8173 9.9817 9.9817 10.0067 10.0067 10.3334 10.3334 10.3519 10.3519 10.7948 10.7948 10.8282 10.8282 k = 0.2000 0.5000 0.2000 ( 7448 PWs) bands (ev): -10.1212 -10.1212 -10.1137 -10.1137 -9.9454 -9.9454 -9.9265 -9.9265 -4.3544 -4.3544 -4.3488 -4.3488 -4.0099 -4.0099 -3.9952 -3.9952 2.5759 2.5759 2.5815 2.5815 2.8461 2.8461 2.8581 2.8581 3.0379 3.0379 3.0477 3.0477 3.3989 3.3989 3.4140 3.4140 3.7661 3.7661 3.7799 3.7799 4.2338 4.2338 4.2481 4.2481 4.8617 4.8617 4.8669 4.8669 5.5218 5.5218 5.5372 5.5372 5.7985 5.7985 5.8219 5.8219 6.0970 6.0970 6.1267 6.1267 6.5407 6.5407 6.5728 6.5728 6.8051 6.8051 6.8411 6.8411 10.0072 10.0072 10.0323 10.0323 10.3377 10.3377 10.3545 10.3545 10.7969 10.7969 10.8325 10.8325 k = 0.1875 0.5000 0.1875 ( 7440 PWs) bands (ev): -10.1243 -10.1243 -10.1172 -10.1172 -9.9431 -9.9431 -9.9236 -9.9236 -4.3585 -4.3585 -4.3530 -4.3530 -4.0004 -4.0004 -3.9852 -3.9852 2.5572 2.5572 2.5631 2.5631 2.8451 2.8451 2.8568 2.8568 3.0270 3.0270 3.0376 3.0376 3.3941 3.3941 3.4084 3.4084 3.7487 3.7487 3.7630 3.7630 4.2325 4.2325 4.2473 4.2473 4.8682 4.8682 4.8732 4.8732 5.5266 5.5266 5.5437 5.5437 5.8097 5.8097 5.8320 5.8320 6.0966 6.0966 6.1261 6.1261 6.5618 6.5618 6.5950 6.5950 6.8302 6.8302 6.8655 6.8655 10.0323 10.0323 10.0572 10.0572 10.3412 10.3412 10.3561 10.3561 10.7974 10.7974 10.8365 10.8365 k = 0.1750 0.5000 0.1750 ( 7428 PWs) bands (ev): -10.1272 -10.1272 -10.1205 -10.1205 -9.9408 -9.9408 -9.9209 -9.9209 -4.3623 -4.3623 -4.3569 -4.3569 -3.9911 -3.9911 -3.9756 -3.9756 2.5385 2.5385 2.5446 2.5446 2.8439 2.8439 2.8553 2.8553 3.0164 3.0164 3.0282 3.0282 3.3883 3.3883 3.4020 3.4020 3.7339 3.7339 3.7487 3.7487 4.2301 4.2301 4.2452 4.2452 4.8723 4.8723 4.8777 4.8777 5.5330 5.5330 5.5518 5.5518 5.8221 5.8221 5.8435 5.8435 6.0964 6.0964 6.1256 6.1256 6.5827 6.5827 6.6169 6.6169 6.8557 6.8557 6.8903 6.8903 10.0565 10.0565 10.0811 10.0811 10.3435 10.3435 10.3566 10.3566 10.7968 10.7968 10.8404 10.8404 k = 0.1625 0.5000 0.1625 ( 7424 PWs) bands (ev): -10.1300 -10.1300 -10.1237 -10.1237 -9.9387 -9.9387 -9.9183 -9.9183 -4.3659 -4.3659 -4.3606 -4.3606 -3.9821 -3.9821 -3.9662 -3.9662 2.5200 2.5200 2.5261 2.5261 2.8421 2.8421 2.8532 2.8532 3.0067 3.0067 3.0199 3.0199 3.3817 3.3817 3.3949 3.3949 3.7218 3.7218 3.7371 3.7371 4.2265 4.2265 4.2417 4.2417 4.8741 4.8741 4.8799 4.8799 5.5417 5.5417 5.5619 5.5619 5.8354 5.8354 5.8564 5.8564 6.0957 6.0957 6.1249 6.1249 6.6032 6.6032 6.6383 6.6383 6.8813 6.8813 6.9150 6.9150 10.0796 10.0796 10.1039 10.1039 10.3444 10.3444 10.3560 10.3560 10.7957 10.7957 10.8443 10.8443 k = 0.1500 0.5000 0.1500 ( 7440 PWs) bands (ev): -10.1327 -10.1327 -10.1267 -10.1267 -9.9367 -9.9367 -9.9159 -9.9159 -4.3692 -4.3692 -4.3641 -4.3641 -3.9734 -3.9734 -3.9573 -3.9573 2.5018 2.5018 2.5080 2.5080 2.8392 2.8392 2.8501 2.8501 2.9988 2.9988 3.0132 3.0132 3.3745 3.3745 3.3874 3.3874 3.7120 3.7120 3.7279 3.7279 4.2217 4.2217 4.2370 4.2370 4.8733 4.8733 4.8797 4.8797 5.5534 5.5534 5.5748 5.5748 5.8494 5.8494 5.8702 5.8702 6.0942 6.0942 6.1234 6.1234 6.6232 6.6232 6.6590 6.6590 6.9067 6.9067 6.9395 6.9395 10.1014 10.1014 10.1251 10.1251 10.3438 10.3438 10.3545 10.3545 10.7948 10.7948 10.8484 10.8484 k = 0.1375 0.5000 0.1375 ( 7456 PWs) bands (ev): -10.1351 -10.1351 -10.1296 -10.1296 -9.9349 -9.9349 -9.9136 -9.9136 -4.3722 -4.3722 -4.3674 -4.3674 -3.9652 -3.9652 -3.9487 -3.9487 2.4843 2.4843 2.4905 2.4905 2.8350 2.8350 2.8455 2.8455 2.9930 2.9930 3.0087 3.0087 3.3667 3.3667 3.3798 3.3798 3.7044 3.7044 3.7207 3.7207 4.2160 4.2160 4.2310 4.2310 4.8702 4.8702 4.8772 4.8772 5.5685 5.5685 5.5906 5.5906 5.8638 5.8638 5.8845 5.8845 6.0915 6.0915 6.1208 6.1208 6.6425 6.6425 6.6789 6.6789 6.9316 6.9316 6.9634 6.9634 10.1216 10.1216 10.1446 10.1446 10.3417 10.3417 10.3523 10.3523 10.7948 10.7948 10.8531 10.8531 k = 0.1250 0.5000 0.1250 ( 7436 PWs) bands (ev): -10.1374 -10.1374 -10.1322 -10.1322 -9.9331 -9.9331 -9.9116 -9.9116 -4.3749 -4.3749 -4.3703 -4.3703 -3.9575 -3.9575 -3.9407 -3.9407 2.4676 2.4676 2.4736 2.4736 2.8294 2.8294 2.8393 2.8393 2.9898 2.9898 3.0063 3.0063 3.3585 3.3585 3.3720 3.3720 3.6988 3.6988 3.7155 3.7155 4.2095 4.2095 4.2241 4.2241 4.8650 4.8650 4.8725 4.8725 5.5868 5.5868 5.6094 5.6094 5.8780 5.8780 5.8988 5.8988 6.0875 6.0875 6.1169 6.1169 6.6609 6.6609 6.6977 6.6977 6.9557 6.9557 6.9864 6.9864 10.1398 10.1398 10.1619 10.1619 10.3384 10.3384 10.3496 10.3496 10.7960 10.7960 10.8583 10.8583 k = 0.1125 0.5000 0.1125 ( 7448 PWs) bands (ev): -10.1394 -10.1394 -10.1347 -10.1347 -9.9316 -9.9316 -9.9097 -9.9097 -4.3774 -4.3774 -4.3731 -4.3731 -3.9502 -3.9502 -3.9333 -3.9333 2.4520 2.4520 2.4577 2.4577 2.8226 2.8226 2.8318 2.8318 2.9891 2.9891 3.0062 3.0062 3.3501 3.3501 3.3643 3.3643 3.6948 3.6948 3.7118 3.7118 4.2024 4.2024 4.2165 4.2165 4.8583 4.8583 4.8660 4.8660 5.6082 5.6082 5.6308 5.6308 5.8919 5.8919 5.9127 5.9127 6.0819 6.0819 6.1114 6.1114 6.6784 6.6784 6.7155 6.7155 6.9786 6.9786 7.0081 7.0081 10.1557 10.1557 10.1766 10.1766 10.3344 10.3344 10.3468 10.3468 10.7986 10.7986 10.8639 10.8639 k = 0.1000 0.5000 0.1000 ( 7450 PWs) bands (ev): -10.1413 -10.1413 -10.1370 -10.1370 -9.9302 -9.9302 -9.9079 -9.9079 -4.3796 -4.3796 -4.3755 -4.3755 -3.9436 -3.9436 -3.9265 -3.9265 2.4374 2.4374 2.4430 2.4430 2.8149 2.8149 2.8234 2.8234 2.9906 2.9906 3.0079 3.0079 3.3417 3.3417 3.3565 3.3565 3.6922 3.6922 3.7094 3.7094 4.1951 4.1951 4.2084 4.2084 4.8506 4.8506 4.8584 4.8584 5.6321 5.6321 5.6544 5.6544 5.9051 5.9051 5.9259 5.9259 6.0745 6.0745 6.1042 6.1042 6.6948 6.6948 6.7320 6.7320 7.0000 7.0000 7.0284 7.0284 10.1690 10.1690 10.1886 10.1886 10.3305 10.3305 10.3443 10.3443 10.8026 10.8026 10.8697 10.8697 k = 0.0875 0.5000 0.0875 ( 7446 PWs) bands (ev): -10.1429 -10.1429 -10.1390 -10.1390 -9.9289 -9.9289 -9.9064 -9.9064 -4.3815 -4.3815 -4.3777 -4.3777 -3.9376 -3.9376 -3.9203 -3.9203 2.4243 2.4243 2.4295 2.4295 2.8068 2.8068 2.8146 2.8146 2.9937 2.9937 3.0111 3.0111 3.3335 3.3335 3.3490 3.3490 3.6907 3.6907 3.7080 3.7080 4.1878 4.1878 4.2003 4.2003 4.8423 4.8423 4.8500 4.8500 5.6578 5.6578 5.6796 5.6796 5.9173 5.9173 5.9379 5.9379 6.0656 6.0656 6.0955 6.0955 6.7098 6.7098 6.7470 6.7470 7.0198 7.0198 7.0468 7.0468 10.1792 10.1792 10.1974 10.1974 10.3275 10.3275 10.3426 10.3426 10.8076 10.8076 10.8751 10.8751 k = 0.0750 0.5000 0.0750 ( 7438 PWs) bands (ev): -10.1443 -10.1443 -10.1408 -10.1408 -9.9278 -9.9278 -9.9051 -9.9051 -4.3831 -4.3831 -4.3797 -4.3797 -3.9323 -3.9323 -3.9149 -3.9149 2.4126 2.4126 2.4174 2.4174 2.7989 2.7989 2.8060 2.8060 2.9979 2.9979 3.0153 3.0153 3.3257 3.3257 3.3417 3.3417 3.6900 3.6900 3.7074 3.7074 4.1808 4.1808 4.1924 4.1924 4.8341 4.8341 4.8416 4.8416 5.6846 5.6846 5.7056 5.7056 5.9281 5.9281 5.9485 5.9485 6.0551 6.0551 6.0852 6.0852 6.7234 6.7234 6.7605 6.7605 7.0376 7.0376 7.0633 7.0633 10.1862 10.1862 10.2032 10.2032 10.3260 10.3260 10.3422 10.3422 10.8132 10.8132 10.8798 10.8798 k = 0.0625 0.5000 0.0625 ( 7442 PWs) bands (ev): -10.1455 -10.1455 -10.1424 -10.1424 -9.9269 -9.9269 -9.9040 -9.9040 -4.3844 -4.3844 -4.3813 -4.3813 -3.9277 -3.9277 -3.9102 -3.9102 2.4025 2.4025 2.4069 2.4069 2.7915 2.7915 2.7980 2.7980 3.0026 3.0026 3.0199 3.0199 3.3186 3.3186 3.3348 3.3348 3.6900 3.6900 3.7073 3.7073 4.1744 4.1744 4.1850 4.1850 4.8263 4.8263 4.8335 4.8335 5.7116 5.7116 5.7314 5.7314 5.9375 5.9375 5.9573 5.9573 6.0434 6.0434 6.0739 6.0739 6.7354 6.7354 6.7722 6.7722 7.0531 7.0531 7.0775 7.0775 10.1901 10.1901 10.2062 10.2062 10.3262 10.3262 10.3430 10.3430 10.8189 10.8189 10.8835 10.8835 k = 0.0500 0.5000 0.0500 ( 7442 PWs) bands (ev): -10.1464 -10.1464 -10.1437 -10.1437 -9.9262 -9.9262 -9.9030 -9.9030 -4.3855 -4.3855 -4.3827 -4.3827 -3.9239 -3.9239 -3.9063 -3.9063 2.3941 2.3941 2.3982 2.3982 2.7850 2.7850 2.7910 2.7910 3.0074 3.0074 3.0244 3.0244 3.3123 3.3123 3.3287 3.3287 3.6903 3.6903 3.7075 3.7075 4.1689 4.1689 4.1784 4.1784 4.8194 4.8194 4.8263 4.8263 5.7379 5.7379 5.7559 5.7559 5.9452 5.9452 5.9642 5.9642 6.0311 6.0311 6.0620 6.0620 6.7455 6.7455 6.7820 6.7820 7.0662 7.0662 7.0893 7.0893 10.1915 10.1915 10.2072 10.2072 10.3276 10.3276 10.3449 10.3449 10.8243 10.8243 10.8858 10.8858 k = 0.0375 0.5000 0.0375 ( 7456 PWs) bands (ev): -10.1471 -10.1471 -10.1448 -10.1448 -9.9256 -9.9256 -9.9023 -9.9023 -4.3863 -4.3863 -4.3838 -4.3838 -3.9209 -3.9209 -3.9032 -3.9032 2.3875 2.3875 2.3912 2.3912 2.7796 2.7796 2.7853 2.7853 3.0116 3.0116 3.0285 3.0285 3.3071 3.3071 3.3235 3.3235 3.6908 3.6908 3.7079 3.7079 4.1644 4.1644 4.1730 4.1730 4.8137 4.8137 4.8203 4.8203 5.7622 5.7622 5.7777 5.7777 5.9511 5.9511 5.9687 5.9687 6.0193 6.0193 6.0506 6.0506 6.7535 6.7535 6.7898 6.7898 7.0766 7.0766 7.0986 7.0986 10.1913 10.1913 10.2070 10.2070 10.3298 10.3298 10.3471 10.3471 10.8288 10.8288 10.8872 10.8872 k = 0.0250 0.5000 0.0250 ( 7456 PWs) bands (ev): -10.1476 -10.1476 -10.1456 -10.1456 -9.9251 -9.9251 -9.9018 -9.9018 -4.3869 -4.3869 -4.3846 -4.3846 -3.9188 -3.9188 -3.9010 -3.9010 2.3828 2.3828 2.3862 2.3862 2.7757 2.7757 2.7810 2.7810 3.0150 3.0150 3.0317 3.0317 3.3033 3.3033 3.3195 3.3195 3.6913 3.6913 3.7083 3.7083 4.1611 4.1611 4.1689 4.1689 4.8095 4.8095 4.8158 4.8158 5.7829 5.7829 5.7949 5.7949 5.9550 5.9550 5.9705 5.9705 6.0094 6.0094 6.0411 6.0411 6.7594 6.7594 6.7954 6.7954 7.0842 7.0842 7.1053 7.1053 10.1903 10.1903 10.2063 10.2063 10.3320 10.3320 10.3492 10.3492 10.8323 10.8323 10.8877 10.8877 k = 0.0125 0.5000 0.0125 ( 7464 PWs) bands (ev): -10.1479 -10.1479 -10.1461 -10.1461 -9.9249 -9.9249 -9.9015 -9.9015 -4.3873 -4.3873 -4.3850 -4.3850 -3.9175 -3.9175 -3.8997 -3.8997 2.3799 2.3799 2.3831 2.3831 2.7733 2.7733 2.7784 2.7784 3.0172 3.0172 3.0338 3.0338 3.3009 3.3009 3.3170 3.3170 3.6917 3.6917 3.7085 3.7085 4.1590 4.1590 4.1664 4.1664 4.8068 4.8068 4.8130 4.8130 5.7981 5.7981 5.8054 5.8054 5.9573 5.9573 5.9702 5.9702 6.0029 6.0029 6.0347 6.0347 6.7630 6.7630 6.7988 6.7988 7.0889 7.0889 7.1094 7.1094 10.1895 10.1895 10.2056 10.2056 10.3335 10.3335 10.3507 10.3507 10.8344 10.8344 10.8878 10.8878 k = 0.0000 0.5000-0.0000 ( 7464 PWs) bands (ev): -10.1480 -10.1480 -10.1462 -10.1462 -9.9248 -9.9248 -9.9014 -9.9014 -4.3874 -4.3874 -4.3852 -4.3852 -3.9170 -3.9170 -3.8993 -3.8993 2.3789 2.3789 2.3821 2.3821 2.7724 2.7724 2.7776 2.7776 3.0180 3.0180 3.0345 3.0345 3.3001 3.3001 3.3161 3.3161 3.6918 3.6918 3.7086 3.7086 4.1584 4.1584 4.1655 4.1655 4.8060 4.8060 4.8121 4.8121 5.8044 5.8044 5.8082 5.8082 5.9581 5.9581 5.9696 5.9696 6.0007 6.0007 6.0325 6.0325 6.7642 6.7642 6.8000 6.8000 7.0904 7.0904 7.1107 7.1107 10.1891 10.1891 10.2053 10.2053 10.3341 10.3341 10.3512 10.3512 10.8352 10.8352 10.8878 10.8878 k = 0.5000 0.5000-0.0000 ( 7452 PWs) bands (ev): -10.0972 -10.0972 -10.0972 -10.0972 -9.9522 -9.9522 -9.9522 -9.9522 -4.3169 -4.3169 -4.3169 -4.3169 -4.0740 -4.0740 -4.0740 -4.0740 2.7913 2.7913 2.7913 2.7913 2.8436 2.8436 2.8436 2.8436 3.0174 3.0174 3.0174 3.0174 3.5056 3.5056 3.5056 3.5056 3.8124 3.8124 3.8124 3.8124 4.2685 4.2685 4.2685 4.2685 5.1710 5.1710 5.1710 5.1710 5.1850 5.1850 5.1850 5.1850 5.8320 5.8320 5.8320 5.8320 5.8851 5.8851 5.8851 5.8851 6.2800 6.2800 6.2800 6.2800 6.7370 6.7370 6.7370 6.7370 10.1098 10.1098 10.1098 10.1098 10.3841 10.3841 10.3841 10.3841 10.6457 10.6457 10.6457 10.6457 k = 0.5000 0.5000 0.0179 ( 7444 PWs) bands (ev): -10.0974 -10.0974 -10.0968 -10.0968 -9.9525 -9.9525 -9.9520 -9.9520 -4.3168 -4.3168 -4.3167 -4.3167 -4.0743 -4.0743 -4.0742 -4.0742 2.7906 2.7906 2.7907 2.7907 2.8435 2.8435 2.8452 2.8452 3.0178 3.0178 3.0180 3.0180 3.5042 3.5042 3.5058 3.5058 3.8142 3.8142 3.8144 3.8144 4.2675 4.2675 4.2682 4.2682 5.1697 5.1697 5.1699 5.1699 5.1832 5.1832 5.1845 5.1845 5.8334 5.8334 5.8347 5.8347 5.8853 5.8853 5.8859 5.8859 6.2801 6.2801 6.2821 6.2821 6.7358 6.7358 6.7359 6.7359 10.1045 10.1045 10.1080 10.1080 10.3834 10.3834 10.3841 10.3841 10.6451 10.6451 10.6494 10.6494 k = 0.5000 0.5000 0.0357 ( 7428 PWs) bands (ev): -10.0973 -10.0973 -10.0961 -10.0961 -9.9531 -9.9531 -9.9520 -9.9520 -4.3165 -4.3165 -4.3162 -4.3162 -4.0751 -4.0751 -4.0749 -4.0749 2.7886 2.7886 2.7887 2.7887 2.8448 2.8448 2.8483 2.8483 3.0192 3.0192 3.0197 3.0197 3.5015 3.5015 3.5047 3.5047 3.8197 3.8197 3.8201 3.8201 4.2654 4.2654 4.2667 4.2667 5.1656 5.1656 5.1656 5.1656 5.1794 5.1794 5.1824 5.1824 5.8388 5.8388 5.8413 5.8413 5.8866 5.8866 5.8877 5.8877 6.2824 6.2824 6.2864 6.2864 6.7321 6.7321 6.7323 6.7323 10.0927 10.0927 10.0994 10.0994 10.3821 10.3821 10.3834 10.3834 10.6474 10.6474 10.6558 10.6558 k = 0.5000 0.5000 0.0536 ( 7428 PWs) bands (ev): -10.0970 -10.0970 -10.0952 -10.0952 -9.9539 -9.9539 -9.9523 -9.9523 -4.3158 -4.3158 -4.3154 -4.3154 -4.0764 -4.0764 -4.0761 -4.0761 2.7854 2.7854 2.7857 2.7857 2.8475 2.8475 2.8527 2.8527 3.0215 3.0215 3.0223 3.0223 3.4975 3.4975 3.5021 3.5021 3.8288 3.8288 3.8294 3.8294 4.2622 4.2622 4.2641 4.2641 5.1573 5.1573 5.1576 5.1576 5.1752 5.1752 5.1799 5.1799 5.8476 5.8476 5.8512 5.8512 5.8892 5.8892 5.8908 5.8908 6.2870 6.2870 6.2928 6.2928 6.7261 6.7261 6.7265 6.7265 10.0750 10.0750 10.0846 10.0846 10.3801 10.3801 10.3820 10.3820 10.6521 10.6521 10.6642 10.6642 k = 0.5000 0.5000 0.0714 ( 7432 PWs) bands (ev): -10.0964 -10.0964 -10.0941 -10.0941 -9.9549 -9.9549 -9.9528 -9.9528 -4.3148 -4.3148 -4.3143 -4.3143 -4.0782 -4.0782 -4.0778 -4.0778 2.7812 2.7812 2.7817 2.7817 2.8516 2.8516 2.8585 2.8585 3.0247 3.0247 3.0256 3.0256 3.4921 3.4921 3.4981 3.4981 3.8414 3.8414 3.8423 3.8423 4.2583 4.2583 4.2606 4.2606 5.1452 5.1452 5.1456 5.1456 5.1714 5.1714 5.1775 5.1775 5.8589 5.8589 5.8631 5.8631 5.8934 5.8934 5.8953 5.8953 6.2937 6.2937 6.3009 6.3009 6.7179 6.7179 6.7185 6.7185 10.0525 10.0525 10.0645 10.0645 10.3774 10.3774 10.3798 10.3798 10.6585 10.6585 10.6738 10.6738 k = 0.5000 0.5000 0.0893 ( 7444 PWs) bands (ev): -10.0957 -10.0957 -10.0928 -10.0928 -9.9561 -9.9561 -9.9535 -9.9535 -4.3136 -4.3136 -4.3129 -4.3129 -4.0805 -4.0805 -4.0800 -4.0800 2.7764 2.7764 2.7770 2.7770 2.8570 2.8570 2.8656 2.8656 3.0285 3.0285 3.0295 3.0295 3.4853 3.4853 3.4926 3.4926 3.8572 3.8572 3.8584 3.8584 4.2539 4.2539 4.2565 4.2565 5.1300 5.1300 5.1303 5.1303 5.1676 5.1676 5.1750 5.1750 5.8704 5.8704 5.8748 5.8748 5.9004 5.9004 5.9026 5.9026 6.3024 6.3024 6.3106 6.3106 6.7079 6.7079 6.7088 6.7088 10.0263 10.0263 10.0403 10.0403 10.3741 10.3741 10.3769 10.3769 10.6658 10.6658 10.6839 10.6839 k = 0.5000 0.5000 0.1071 ( 7440 PWs) bands (ev): -10.0946 -10.0946 -10.0912 -10.0912 -9.9575 -9.9575 -9.9543 -9.9543 -4.3120 -4.3120 -4.3112 -4.3112 -4.0832 -4.0832 -4.0826 -4.0826 2.7713 2.7713 2.7720 2.7720 2.8637 2.8637 2.8738 2.8738 3.0328 3.0328 3.0339 3.0339 3.4770 3.4770 3.4853 3.4853 3.8760 3.8760 3.8774 3.8774 4.2495 4.2495 4.2522 4.2522 5.1125 5.1125 5.1126 5.1126 5.1640 5.1640 5.1725 5.1725 5.8794 5.8794 5.8835 5.8835 5.9121 5.9121 5.9145 5.9145 6.3130 6.3130 6.3217 6.3217 6.6962 6.6962 6.6976 6.6976 9.9976 9.9976 10.0132 10.0132 10.3701 10.3701 10.3730 10.3730 10.6733 10.6733 10.6936 10.6936 k = 0.5000 0.5000 0.1250 ( 7436 PWs) bands (ev): -10.0934 -10.0934 -10.0894 -10.0894 -9.9591 -9.9591 -9.9554 -9.9554 -4.3102 -4.3102 -4.3092 -4.3092 -4.0864 -4.0864 -4.0857 -4.0857 2.7660 2.7660 2.7669 2.7669 2.8716 2.8716 2.8830 2.8830 3.0375 3.0375 3.0387 3.0387 3.4672 3.4672 3.4763 3.4763 3.8974 3.8974 3.8992 3.8992 4.2453 4.2453 4.2480 4.2480 5.0933 5.0933 5.0934 5.0934 5.1604 5.1604 5.1700 5.1700 5.8848 5.8848 5.8883 5.8883 5.9282 5.9282 5.9303 5.9303 6.3253 6.3253 6.3340 6.3340 6.6833 6.6833 6.6853 6.6853 9.9674 9.9674 9.9842 9.9842 10.3652 10.3652 10.3683 10.3683 10.6804 10.6804 10.7026 10.7026 k = 0.5000 0.5000 0.1429 ( 7444 PWs) bands (ev): -10.0919 -10.0919 -10.0873 -10.0873 -9.9609 -9.9609 -9.9567 -9.9567 -4.3081 -4.3081 -4.3070 -4.3070 -4.0900 -4.0900 -4.0893 -4.0893 2.7610 2.7610 2.7620 2.7620 2.8804 2.8804 2.8931 2.8931 3.0424 3.0424 3.0436 3.0436 3.4557 3.4557 3.4654 3.4654 3.9211 3.9211 3.9233 3.9233 4.2418 4.2418 4.2443 4.2443 5.0732 5.0732 5.0735 5.0735 5.1571 5.1571 5.1677 5.1677 5.8875 5.8875 5.8904 5.8904 5.9467 5.9467 5.9476 5.9476 6.3393 6.3393 6.3472 6.3472 6.6697 6.6697 6.6724 6.6724 9.9366 9.9366 9.9543 9.9543 10.3595 10.3595 10.3624 10.3624 10.6866 10.6866 10.7105 10.7105 k = 0.5000 0.5000 0.1607 ( 7464 PWs) bands (ev): -10.0902 -10.0902 -10.0851 -10.0851 -9.9628 -9.9628 -9.9583 -9.9583 -4.3057 -4.3057 -4.3044 -4.3044 -4.0941 -4.0941 -4.0932 -4.0932 2.7563 2.7563 2.7576 2.7576 2.8900 2.8900 2.9039 2.9039 3.0475 3.0475 3.0487 3.0487 3.4425 3.4425 3.4526 3.4526 3.9468 3.9468 3.9494 3.9494 4.2391 4.2391 4.2413 4.2413 5.0527 5.0527 5.0533 5.0533 5.1542 5.1542 5.1657 5.1657 5.8879 5.8879 5.8901 5.8901 5.9647 5.9647 5.9655 5.9655 6.3549 6.3549 6.3614 6.3614 6.6558 6.6558 6.6595 6.6595 9.9060 9.9060 9.9244 9.9244 10.3527 10.3527 10.3554 10.3554 10.6917 10.6917 10.7170 10.7170 k = 0.5000 0.5000 0.1786 ( 7448 PWs) bands (ev): -10.0883 -10.0883 -10.0827 -10.0827 -9.9650 -9.9650 -9.9600 -9.9600 -4.3030 -4.3030 -4.3016 -4.3016 -4.0985 -4.0985 -4.0975 -4.0975 2.7524 2.7524 2.7539 2.7539 2.9004 2.9004 2.9152 2.9152 3.0527 3.0527 3.0539 3.0539 3.4276 3.4276 3.4379 3.4379 3.9740 3.9740 3.9769 3.9769 4.2377 4.2377 4.2393 4.2393 5.0326 5.0326 5.0336 5.0336 5.1520 5.1520 5.1642 5.1642 5.8861 5.8861 5.8874 5.8874 5.9803 5.9803 5.9834 5.9834 6.3721 6.3721 6.3765 6.3765 6.6423 6.6423 6.6470 6.6470 9.8763 9.8763 9.8953 9.8953 10.3448 10.3448 10.3469 10.3469 10.6957 10.6957 10.7222 10.7222 k = 0.5000 0.5000 0.1964 ( 7456 PWs) bands (ev): -10.0862 -10.0862 -10.0800 -10.0800 -9.9673 -9.9673 -9.9619 -9.9619 -4.3000 -4.3000 -4.2985 -4.2985 -4.1033 -4.1033 -4.1022 -4.1022 2.7494 2.7494 2.7510 2.7510 2.9112 2.9112 2.9268 2.9268 3.0581 3.0581 3.0592 3.0592 3.4112 3.4112 3.4213 3.4213 4.0022 4.0022 4.0056 4.0056 4.2374 4.2374 4.2385 4.2385 5.0134 5.0134 5.0147 5.0147 5.1506 5.1506 5.1635 5.1635 5.8817 5.8817 5.8818 5.8818 5.9934 5.9934 5.9993 5.9993 6.3908 6.3908 6.3924 6.3924 6.6297 6.6297 6.6355 6.6355 9.8482 9.8482 9.8677 9.8677 10.3354 10.3354 10.3368 10.3368 10.6986 10.6986 10.7262 10.7262 k = 0.5000 0.5000 0.2143 ( 7440 PWs) bands (ev): -10.0839 -10.0839 -10.0772 -10.0772 -9.9698 -9.9698 -9.9639 -9.9639 -4.2968 -4.2968 -4.2952 -4.2952 -4.1084 -4.1084 -4.1073 -4.1073 2.7474 2.7474 2.7491 2.7491 2.9222 2.9222 2.9385 2.9385 3.0634 3.0634 3.0645 3.0645 3.3932 3.3932 3.4031 3.4031 4.0310 4.0310 4.0348 4.0348 4.2385 4.2385 4.2390 4.2390 4.9956 4.9956 4.9974 4.9974 5.1503 5.1503 5.1638 5.1638 5.8732 5.8732 5.8743 5.8743 6.0031 6.0031 6.0123 6.0123 6.4092 6.4092 6.4109 6.4109 6.6185 6.6185 6.6256 6.6256 9.8222 9.8222 9.8420 9.8420 10.3244 10.3244 10.3248 10.3248 10.7005 10.7005 10.7289 10.7289 k = 0.5000 0.5000 0.2321 ( 7464 PWs) bands (ev): -10.0814 -10.0814 -10.0743 -10.0743 -9.9724 -9.9724 -9.9662 -9.9662 -4.2933 -4.2933 -4.2916 -4.2916 -4.1139 -4.1139 -4.1126 -4.1126 2.7465 2.7465 2.7484 2.7484 2.9332 2.9332 2.9499 2.9499 3.0688 3.0688 3.0699 3.0699 3.3740 3.3740 3.3833 3.3833 4.0600 4.0600 4.0642 4.0642 4.2407 4.2407 4.2409 4.2409 4.9798 4.9798 4.9820 4.9820 5.1513 5.1513 5.1653 5.1653 5.8612 5.8612 5.8637 5.8637 6.0091 6.0091 6.0217 6.0217 6.4268 6.4268 6.4322 6.4322 6.6094 6.6094 6.6176 6.6176 9.7988 9.7988 9.8189 9.8189 10.3106 10.3106 10.3114 10.3114 10.7016 10.7016 10.7308 10.7308 k = 0.5000 0.5000 0.2500 ( 7472 PWs) bands (ev): -10.0788 -10.0788 -10.0711 -10.0711 -9.9752 -9.9752 -9.9687 -9.9687 -4.2895 -4.2895 -4.2877 -4.2877 -4.1196 -4.1196 -4.1182 -4.1182 2.7470 2.7470 2.7489 2.7489 2.9440 2.9440 2.9608 2.9608 3.0742 3.0742 3.0753 3.0753 3.3536 3.3536 3.3623 3.3623 4.0886 4.0886 4.0932 4.0932 4.2437 4.2437 4.2444 4.2444 4.9665 4.9665 4.9690 4.9690 5.1538 5.1538 5.1681 5.1681 5.8457 5.8457 5.8498 5.8498 6.0108 6.0108 6.0268 6.0268 6.4452 6.4452 6.4545 6.4545 6.6026 6.6026 6.6119 6.6119 9.7783 9.7783 9.7987 9.7987 10.2942 10.2942 10.2963 10.2963 10.7022 10.7022 10.7321 10.7321 k = 0.5000 0.5000 0.2679 ( 7464 PWs) bands (ev): -10.0760 -10.0760 -10.0678 -10.0678 -9.9781 -9.9781 -9.9713 -9.9713 -4.2855 -4.2855 -4.2836 -4.2836 -4.1256 -4.1256 -4.1241 -4.1241 2.7488 2.7488 2.7508 2.7508 2.9543 2.9543 2.9710 2.9710 3.0796 3.0796 3.0807 3.0807 3.3325 3.3325 3.3404 3.3404 4.1164 4.1164 4.1214 4.1214 4.2477 4.2477 4.2488 4.2488 4.9561 4.9561 4.9590 4.9590 5.1580 5.1580 5.1725 5.1725 5.8268 5.8268 5.8325 5.8325 6.0080 6.0080 6.0273 6.0273 6.4640 6.4640 6.4773 6.4773 6.5985 6.5985 6.6086 6.6086 9.7612 9.7612 9.7818 9.7818 10.2752 10.2752 10.2787 10.2787 10.7025 10.7025 10.7329 10.7329 k = 0.5000 0.5000 0.2857 ( 7456 PWs) bands (ev): -10.0730 -10.0730 -10.0644 -10.0644 -9.9812 -9.9812 -9.9741 -9.9741 -4.2812 -4.2812 -4.2792 -4.2792 -4.1318 -4.1318 -4.1302 -4.1302 2.7521 2.7521 2.7542 2.7542 2.9636 2.9636 2.9800 2.9800 3.0849 3.0849 3.0862 3.0862 3.3110 3.3110 3.3179 3.3179 4.1429 4.1429 4.1484 4.1484 4.2525 4.2525 4.2539 4.2539 4.9491 4.9491 4.9522 4.9522 5.1640 5.1640 5.1785 5.1785 5.8047 5.8047 5.8122 5.8122 6.0009 6.0009 6.0231 6.0231 6.4830 6.4830 6.5004 6.5004 6.5970 6.5970 6.6077 6.6077 9.7478 9.7478 9.7685 9.7685 10.2536 10.2536 10.2587 10.2587 10.7028 10.7028 10.7337 10.7337 k = 0.5000 0.5000 0.3036 ( 7452 PWs) bands (ev): -10.0699 -10.0699 -10.0609 -10.0609 -9.9844 -9.9844 -9.9770 -9.9770 -4.2767 -4.2767 -4.2746 -4.2746 -4.1382 -4.1382 -4.1365 -4.1365 2.7569 2.7569 2.7590 2.7590 2.9718 2.9718 2.9875 2.9875 3.0903 3.0903 3.0917 3.0917 3.2894 3.2894 3.2952 3.2952 4.1678 4.1678 4.1736 4.1736 4.2580 4.2580 4.2594 4.2594 4.9458 4.9458 4.9491 4.9491 5.1716 5.1716 5.1859 5.1859 5.7802 5.7802 5.7893 5.7893 5.9894 5.9894 6.0143 6.0143 6.5017 6.5017 6.5232 6.5232 6.5982 6.5982 6.6090 6.6090 9.7381 9.7381 9.7589 9.7589 10.2294 10.2294 10.2361 10.2361 10.7034 10.7034 10.7347 10.7347 k = 0.5000 0.5000 0.3214 ( 7464 PWs) bands (ev): -10.0667 -10.0667 -10.0572 -10.0572 -9.9876 -9.9876 -9.9801 -9.9801 -4.2719 -4.2719 -4.2698 -4.2698 -4.1447 -4.1447 -4.1429 -4.1429 2.7632 2.7632 2.7652 2.7652 2.9783 2.9783 2.9930 2.9930 3.0956 3.0956 3.0972 3.0972 3.2684 3.2684 3.2728 3.2728 4.1906 4.1906 4.1968 4.1968 4.2638 4.2638 4.2650 4.2650 4.9464 4.9464 4.9498 4.9498 5.1807 5.1807 5.1946 5.1946 5.7538 5.7538 5.7646 5.7646 5.9739 5.9739 6.0010 6.0010 6.5196 6.5196 6.5452 6.5452 6.6018 6.6018 6.6123 6.6123 9.7323 9.7323 9.7532 9.7532 10.2027 10.2027 10.2110 10.2110 10.7045 10.7045 10.7362 10.7362 k = 0.5000 0.5000 0.3393 ( 7464 PWs) bands (ev): -10.0633 -10.0633 -10.0534 -10.0534 -9.9910 -9.9910 -9.9834 -9.9834 -4.2669 -4.2669 -4.2647 -4.2647 -4.1514 -4.1514 -4.1495 -4.1495 2.7710 2.7710 2.7730 2.7730 2.9828 2.9828 2.9962 2.9962 3.1009 3.1009 3.1027 3.1027 3.2483 3.2483 3.2513 3.2513 4.2112 4.2112 4.2176 4.2176 4.2699 4.2699 4.2706 4.2706 4.9512 4.9512 4.9545 4.9545 5.1909 5.1909 5.2040 5.2040 5.7266 5.7266 5.7392 5.7392 5.9545 5.9545 5.9835 5.9835 6.5364 6.5364 6.5661 6.5661 6.6075 6.6075 6.6171 6.6171 9.7306 9.7306 9.7515 9.7515 10.1738 10.1738 10.1836 10.1836 10.7064 10.7064 10.7384 10.7384 k = 0.5000 0.5000 0.3571 ( 7480 PWs) bands (ev): -10.0599 -10.0599 -10.0496 -10.0496 -9.9945 -9.9945 -9.9867 -9.9867 -4.2617 -4.2617 -4.2595 -4.2595 -4.1582 -4.1582 -4.1562 -4.1562 2.7803 2.7803 2.7823 2.7823 2.9847 2.9847 2.9966 2.9966 3.1061 3.1061 3.1082 3.1082 3.2297 3.2297 3.2311 3.2311 4.2293 4.2293 4.2358 4.2358 4.2759 4.2759 4.2759 4.2759 4.9601 4.9601 4.9633 4.9633 5.2012 5.2012 5.2132 5.2132 5.7001 5.7001 5.7145 5.7145 5.9317 5.9317 5.9623 5.9623 6.5517 6.5517 6.5855 6.5855 6.6149 6.6149 6.6232 6.6232 9.7329 9.7329 9.7537 9.7537 10.1430 10.1430 10.1543 10.1543 10.7094 10.7094 10.7416 10.7416 k = 0.5000 0.5000 0.3750 ( 7464 PWs) bands (ev): -10.0565 -10.0565 -10.0456 -10.0456 -9.9979 -9.9979 -9.9902 -9.9902 -4.2562 -4.2562 -4.2540 -4.2540 -4.1650 -4.1650 -4.1630 -4.1630 2.7911 2.7911 2.7930 2.7930 2.9837 2.9837 2.9938 2.9938 3.1112 3.1112 3.1136 3.1136 3.2129 3.2129 3.2131 3.2131 4.2449 4.2449 4.2513 4.2513 4.2807 4.2807 4.2817 4.2817 4.9731 4.9731 4.9760 4.9760 5.2105 5.2105 5.2212 5.2212 5.6757 5.6757 5.6921 5.6921 5.9058 5.9058 5.9379 5.9379 6.5653 6.5653 6.6030 6.6030 6.6232 6.6232 6.6300 6.6300 9.7392 9.7392 9.7597 9.7597 10.1106 10.1106 10.1233 10.1233 10.7135 10.7135 10.7461 10.7461 k = 0.5000 0.5000 0.3929 ( 7472 PWs) bands (ev): -10.0530 -10.0530 -10.0417 -10.0417 -10.0015 -10.0015 -9.9938 -9.9938 -4.2506 -4.2506 -4.2483 -4.2483 -4.1720 -4.1720 -4.1699 -4.1699 2.8033 2.8033 2.8051 2.8051 2.9795 2.9795 2.9878 2.9878 3.1163 3.1163 3.1190 3.1190 3.1970 3.1970 3.1989 3.1989 4.2579 4.2579 4.2641 4.2641 4.2849 4.2849 4.2873 4.2873 4.9900 4.9900 4.9926 4.9926 5.2173 5.2173 5.2262 5.2262 5.6554 5.6554 5.6739 5.6739 5.8775 5.8775 5.9107 5.9107 6.5771 6.5771 6.6184 6.6184 6.6319 6.6319 6.6370 6.6370 9.7493 9.7493 9.7695 9.7695 10.0772 10.0772 10.0912 10.0912 10.7189 10.7189 10.7518 10.7518 k = 0.5000 0.5000 0.4107 ( 7472 PWs) bands (ev): -10.0495 -10.0495 -10.0376 -10.0376 -10.0049 -10.0049 -9.9975 -9.9975 -4.2448 -4.2448 -4.2425 -4.2425 -4.1789 -4.1789 -4.1767 -4.1767 2.8168 2.8168 2.8185 2.8185 2.9718 2.9718 2.9784 2.9784 3.1213 3.1213 3.1243 3.1243 3.1836 3.1836 3.1870 3.1870 4.2686 4.2686 4.2742 4.2742 4.2885 4.2885 4.2925 4.2925 5.0103 5.0103 5.0126 5.0126 5.2198 5.2198 5.2268 5.2268 5.6413 5.6413 5.6617 5.6617 5.8471 5.8471 5.8816 5.8816 6.5873 6.5873 6.6316 6.6316 6.6403 6.6403 6.6439 6.6439 9.7631 9.7631 9.7829 9.7829 10.0431 10.0431 10.0585 10.0585 10.7256 10.7256 10.7591 10.7591 k = 0.5000 0.5000 0.4286 ( 7484 PWs) bands (ev): -10.0461 -10.0461 -10.0335 -10.0335 -10.0084 -10.0084 -10.0013 -10.0013 -4.2387 -4.2387 -4.2365 -4.2365 -4.1858 -4.1858 -4.1836 -4.1836 2.8315 2.8315 2.8332 2.8332 2.9611 2.9611 2.9662 2.9662 3.1261 3.1261 3.1295 3.1295 3.1727 3.1727 3.1773 3.1773 4.2771 4.2771 4.2818 4.2818 4.2914 4.2914 4.2972 4.2972 5.0337 5.0337 5.0357 5.0357 5.2163 5.2163 5.2214 5.2214 5.6352 5.6352 5.6571 5.6571 5.8155 5.8155 5.8512 5.8512 6.5957 6.5957 6.6424 6.6424 6.6478 6.6478 6.6503 6.6503 9.7805 9.7805 9.7996 9.7996 10.0089 10.0089 10.0256 10.0256 10.7334 10.7334 10.7679 10.7679 k = 0.5000 0.5000 0.4464 ( 7484 PWs) bands (ev): -10.0429 -10.0429 -10.0295 -10.0295 -10.0116 -10.0116 -10.0052 -10.0052 -4.2326 -4.2326 -4.2303 -4.2303 -4.1928 -4.1928 -4.1904 -4.1904 2.8472 2.8472 2.8489 2.8489 2.9477 2.9477 2.9516 2.9516 3.1309 3.1309 3.1344 3.1344 3.1639 3.1639 3.1695 3.1695 4.2836 4.2836 4.2873 4.2873 4.2934 4.2934 4.3011 4.3011 5.0594 5.0594 5.0611 5.0611 5.2061 5.2061 5.2096 5.2096 5.6379 5.6379 5.6604 5.6604 5.7832 5.7832 5.8206 5.8206 6.6023 6.6023 6.6508 6.6508 6.6540 6.6540 6.6556 6.6556 9.8010 9.8010 9.8193 9.8193 9.9749 9.9749 9.9931 9.9931 10.7422 10.7422 10.7781 10.7781 k = 0.5000 0.5000 0.4643 ( 7484 PWs) bands (ev): -10.0401 -10.0401 -10.0254 -10.0254 -10.0144 -10.0144 -10.0091 -10.0091 -4.2262 -4.2262 -4.2240 -4.2240 -4.1996 -4.1996 -4.1971 -4.1971 2.8638 2.8638 2.8655 2.8655 2.9324 2.9324 2.9354 2.9354 3.1357 3.1357 3.1392 3.1392 3.1567 3.1567 3.1632 3.1632 4.2885 4.2885 4.2910 4.2910 4.2946 4.2946 4.3040 4.3040 5.0867 5.0867 5.0882 5.0882 5.1894 5.1894 5.1919 5.1919 5.6492 5.6492 5.6706 5.6706 5.7512 5.7512 5.7912 5.7912 6.6071 6.6071 6.6569 6.6569 6.6586 6.6586 6.6596 6.6596 9.8246 9.8246 9.8414 9.8414 9.9417 9.9417 9.9617 9.9617 10.7510 10.7510 10.7898 10.7898 k = 0.5000 0.5000 0.4821 ( 7484 PWs) bands (ev): -10.0380 -10.0380 -10.0213 -10.0213 -10.0164 -10.0164 -10.0131 -10.0131 -4.2197 -4.2197 -4.2178 -4.2178 -4.2064 -4.2064 -4.2037 -4.2037 2.8810 2.8810 2.8827 2.8827 2.9158 2.9158 2.9182 2.9182 3.1404 3.1404 3.1433 3.1433 3.1507 3.1507 3.1583 3.1583 4.2918 4.2918 4.2931 4.2931 4.2947 4.2947 4.3057 4.3057 5.1146 5.1146 5.1160 5.1160 5.1675 5.1675 5.1693 5.1693 5.6679 5.6679 5.6843 5.6843 5.7204 5.7204 5.7663 5.7663 6.6100 6.6100 6.6607 6.6607 6.6614 6.6614 6.6620 6.6620 9.8507 9.8507 9.8645 9.8645 9.9097 9.9097 9.9330 9.9330 10.7584 10.7584 10.8027 10.8029 k = 0.5000 0.5000 0.5000 ( 7400 PWs) bands (ev): -10.0373 -10.0373 -10.0172 -10.0172 -10.0172 -10.0172 -10.0172 -10.0172 -4.2131 -4.2131 -4.2131 -4.2131 -4.2131 -4.2131 -4.2084 -4.2084 2.8985 2.8985 2.8985 2.8985 2.8985 2.8985 2.9024 2.9024 3.1454 3.1454 3.1454 3.1454 3.1454 3.1454 3.1560 3.1560 4.2938 4.2938 4.2938 4.2938 4.2938 4.2938 4.3063 4.3063 5.1421 5.1421 5.1421 5.1421 5.1421 5.1421 5.1450 5.1450 5.6922 5.6922 5.6922 5.6922 5.6922 5.6922 5.7548 5.7548 6.6110 6.6110 6.6624 6.6624 6.6624 6.6624 6.6624 6.6624 9.8793 9.8793 9.8793 9.8793 9.8793 9.8793 9.9164 9.9164 10.7616 10.7616 10.8166 10.8166 Writing output data file ZrSO.save init_run : 2.40s CPU 13.43s WALL ( 1 calls) electrons : 2542.44s CPU 2565.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 2542.39s CPU 2565.11s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.09s CPU 0.57s WALL ( 1 calls) newd : 0.44s CPU 0.70s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.20s WALL ( 218 calls) cegterg : 2451.03s CPU 2469.26s WALL ( 1153 calls) Called by sum_band: Called by *egterg: h_psi : 965.98s CPU 981.55s WALL ( 23355 calls) s_psi : 120.02s CPU 120.44s WALL ( 23355 calls) g_psi : 2.25s CPU 2.30s WALL ( 21984 calls) cdiaghg : 1035.62s CPU 1031.46s WALL ( 22202 calls) cegterg:over : 177.03s CPU 170.94s WALL ( 21984 calls) cegterg:upda : 70.13s CPU 75.95s WALL ( 21984 calls) cegterg:last : 43.61s CPU 44.49s WALL ( 2550 calls) Called by h_psi: h_psi:vloc : 711.72s CPU 723.56s WALL ( 23355 calls) h_psi:vnl : 252.79s CPU 255.38s WALL ( 23355 calls) add_vuspsi : 100.07s CPU 107.57s WALL ( 23355 calls) General routines calbec : 152.56s CPU 147.56s WALL ( 23355 calls) fft : 0.20s CPU 0.73s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 668.52s CPU 679.44s WALL ( 2297504 calls) interpolate : 0.14s CPU 0.14s WALL ( 4 calls) davcio : 0.01s CPU 3.60s WALL ( 436 calls) Parallel routines fft_scatter : 373.11s CPU 379.82s WALL ( 2297527 calls) PWSCF : 43m31.76s CPU 46m14.85s WALL This run was terminated on: 5:59: 3 14Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=