Program PWSCF v.5.1.1 starts on 12Jun2016 at 13: 1:29 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: ./AlPS4.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 34 30 8 1716 1402 214 Max 35 31 9 1725 1433 221 Sum 1649 1457 421 82563 68127 10441 bravais-lattice index = 14 lattice parameter (alat) = 10.6906 a.u. unit-cell volume = 1991.2284 (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 = 40.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.690558 celldm(2)= 1.000000 celldm(3)= 1.629746 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 1.629746 ) 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 0.613592 ) 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 Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Al 3.00 26.98150 Al( 1.00) P 5.00 30.97380 P( 1.00) 4 Sym. Ops. (no inversion) found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s( 3) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group S_4 (-4) there are 8 classes and 4 irreducible representations the character table: E -E S4 -S4 C2 -C2 S4^3 -S4^3 G_1 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 G_2 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 G_3 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 G_4 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 imaginary part E -E S4 -S4 C2 -C2 S4^3 -S4^3 G_1 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 G_2 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 G_3 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 G_4 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 the symmetry operations in each class: E 1 C2 2 S4 3 S4^3 4 -E -1 -C2 -2 -S4 -3 -S4^3 -4 Cartesian axes number of k points= 255 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0039216 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0039216 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0039216 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0039216 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0039216 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0039216 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0039216 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0039216 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0039216 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0039216 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0039216 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0039216 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0039216 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0039216 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0039216 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0039216 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0039216 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0039216 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0039216 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0039216 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0039216 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0039216 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0039216 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0039216 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0039216 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0039216 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0039216 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039216 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039216 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0039216 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0039216 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0039216 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0039216 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0039216 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0039216 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0039216 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0039216 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0039216 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0039216 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0039216 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0039216 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0039216 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0039216 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0039216 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0039216 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0039216 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0039216 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0039216 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0039216 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0039216 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0039216 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0039216 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0039216 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0039216 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0039216 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0039216 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039216 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039216 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0039216 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0039216 k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0039216 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0039216 k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0039216 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0039216 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0039216 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0039216 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0039216 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0039216 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0039216 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0039216 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0039216 k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0039216 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0039216 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0039216 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0039216 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0039216 k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0039216 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0039216 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0039216 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0039216 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0039216 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0039216 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0039216 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0039216 k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0039216 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0039216 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0039216 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0039216 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0039216 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0039216 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0039216 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0039216 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0039216 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0039216 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0039216 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0039216 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0039216 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 101) = ( 0.0000000 0.0000000 0.0170442), wk = 0.0039216 k( 102) = ( 0.0000000 0.0000000 0.0340885), wk = 0.0039216 k( 103) = ( 0.0000000 0.0000000 0.0511327), wk = 0.0039216 k( 104) = ( 0.0000000 0.0000000 0.0681769), wk = 0.0039216 k( 105) = ( 0.0000000 0.0000000 0.0852212), wk = 0.0039216 k( 106) = ( 0.0000000 0.0000000 0.1022654), wk = 0.0039216 k( 107) = ( 0.0000000 0.0000000 0.1193096), wk = 0.0039216 k( 108) = ( 0.0000000 0.0000000 0.1363539), wk = 0.0039216 k( 109) = ( 0.0000000 0.0000000 0.1533981), wk = 0.0039216 k( 110) = ( 0.0000000 0.0000000 0.1704424), wk = 0.0039216 k( 111) = ( 0.0000000 0.0000000 0.1874866), wk = 0.0039216 k( 112) = ( 0.0000000 0.0000000 0.2045308), wk = 0.0039216 k( 113) = ( 0.0000000 0.0000000 0.2215751), wk = 0.0039216 k( 114) = ( 0.0000000 0.0000000 0.2386193), wk = 0.0039216 k( 115) = ( 0.0000000 0.0000000 0.2556635), wk = 0.0039216 k( 116) = ( 0.0000000 0.0000000 0.2727078), wk = 0.0039216 k( 117) = ( 0.0000000 0.0000000 0.2897520), wk = 0.0039216 k( 118) = ( 0.0000000 0.0000000 0.3067962), wk = 0.0039216 k( 119) = ( 0.0000000 0.0000000 0.3067962), wk = 0.0039216 k( 120) = ( 0.0000000 0.0178571 0.3067962), wk = 0.0039216 k( 121) = ( 0.0000000 0.0357143 0.3067962), wk = 0.0039216 k( 122) = ( 0.0000000 0.0535714 0.3067962), wk = 0.0039216 k( 123) = ( 0.0000000 0.0714286 0.3067962), wk = 0.0039216 k( 124) = ( 0.0000000 0.0892857 0.3067962), wk = 0.0039216 k( 125) = ( 0.0000000 0.1071429 0.3067962), wk = 0.0039216 k( 126) = ( 0.0000000 0.1250000 0.3067962), wk = 0.0039216 k( 127) = ( 0.0000000 0.1428571 0.3067962), wk = 0.0039216 k( 128) = ( 0.0000000 0.1607143 0.3067962), wk = 0.0039216 k( 129) = ( 0.0000000 0.1785714 0.3067962), wk = 0.0039216 k( 130) = ( 0.0000000 0.1964286 0.3067962), wk = 0.0039216 k( 131) = ( 0.0000000 0.2142857 0.3067962), wk = 0.0039216 k( 132) = ( 0.0000000 0.2321429 0.3067962), wk = 0.0039216 k( 133) = ( 0.0000000 0.2500000 0.3067962), wk = 0.0039216 k( 134) = ( 0.0000000 0.2678571 0.3067962), wk = 0.0039216 k( 135) = ( 0.0000000 0.2857143 0.3067962), wk = 0.0039216 k( 136) = ( 0.0000000 0.3035714 0.3067962), wk = 0.0039216 k( 137) = ( 0.0000000 0.3214286 0.3067962), wk = 0.0039216 k( 138) = ( 0.0000000 0.3392857 0.3067962), wk = 0.0039216 k( 139) = ( 0.0000000 0.3571429 0.3067962), wk = 0.0039216 k( 140) = ( 0.0000000 0.3750000 0.3067962), wk = 0.0039216 k( 141) = ( 0.0000000 0.3928571 0.3067962), wk = 0.0039216 k( 142) = ( 0.0000000 0.4107143 0.3067962), wk = 0.0039216 k( 143) = ( 0.0000000 0.4285714 0.3067962), wk = 0.0039216 k( 144) = ( 0.0000000 0.4464286 0.3067962), wk = 0.0039216 k( 145) = ( 0.0000000 0.4642857 0.3067962), wk = 0.0039216 k( 146) = ( 0.0000000 0.4821429 0.3067962), wk = 0.0039216 k( 147) = ( 0.0000000 0.5000000 0.3067962), wk = 0.0039216 k( 148) = ( 0.0000000 0.5000000 0.3067962), wk = 0.0039216 k( 149) = ( 0.0178571 0.5000000 0.3067962), wk = 0.0039216 k( 150) = ( 0.0357143 0.5000000 0.3067962), wk = 0.0039216 k( 151) = ( 0.0535714 0.5000000 0.3067962), wk = 0.0039216 k( 152) = ( 0.0714286 0.5000000 0.3067962), wk = 0.0039216 k( 153) = ( 0.0892857 0.5000000 0.3067962), wk = 0.0039216 k( 154) = ( 0.1071429 0.5000000 0.3067962), wk = 0.0039216 k( 155) = ( 0.1250000 0.5000000 0.3067962), wk = 0.0039216 k( 156) = ( 0.1428571 0.5000000 0.3067962), wk = 0.0039216 k( 157) = ( 0.1607143 0.5000000 0.3067962), wk = 0.0039216 k( 158) = ( 0.1785714 0.5000000 0.3067962), wk = 0.0039216 k( 159) = ( 0.1964286 0.5000000 0.3067962), wk = 0.0039216 k( 160) = ( 0.2142857 0.5000000 0.3067962), wk = 0.0039216 k( 161) = ( 0.2321429 0.5000000 0.3067962), wk = 0.0039216 k( 162) = ( 0.2500000 0.5000000 0.3067962), wk = 0.0039216 k( 163) = ( 0.2678571 0.5000000 0.3067962), wk = 0.0039216 k( 164) = ( 0.2857143 0.5000000 0.3067962), wk = 0.0039216 k( 165) = ( 0.3035714 0.5000000 0.3067962), wk = 0.0039216 k( 166) = ( 0.3214286 0.5000000 0.3067962), wk = 0.0039216 k( 167) = ( 0.3392857 0.5000000 0.3067962), wk = 0.0039216 k( 168) = ( 0.3571429 0.5000000 0.3067962), wk = 0.0039216 k( 169) = ( 0.3750000 0.5000000 0.3067962), wk = 0.0039216 k( 170) = ( 0.3928571 0.5000000 0.3067962), wk = 0.0039216 k( 171) = ( 0.4107143 0.5000000 0.3067962), wk = 0.0039216 k( 172) = ( 0.4285714 0.5000000 0.3067962), wk = 0.0039216 k( 173) = ( 0.4464286 0.5000000 0.3067962), wk = 0.0039216 k( 174) = ( 0.4642857 0.5000000 0.3067962), wk = 0.0039216 k( 175) = ( 0.4821429 0.5000000 0.3067962), wk = 0.0039216 k( 176) = ( 0.5000000 0.5000000 0.3067962), wk = 0.0039216 k( 177) = ( 0.5000000 0.5000000 0.3067962), wk = 0.0039216 k( 178) = ( 0.4875000 0.4875000 0.3067962), wk = 0.0039216 k( 179) = ( 0.4750000 0.4750000 0.3067962), wk = 0.0039216 k( 180) = ( 0.4625000 0.4625000 0.3067962), wk = 0.0039216 k( 181) = ( 0.4500000 0.4500000 0.3067962), wk = 0.0039216 k( 182) = ( 0.4375000 0.4375000 0.3067962), wk = 0.0039216 k( 183) = ( 0.4250000 0.4250000 0.3067962), wk = 0.0039216 k( 184) = ( 0.4125000 0.4125000 0.3067962), wk = 0.0039216 k( 185) = ( 0.4000000 0.4000000 0.3067962), wk = 0.0039216 k( 186) = ( 0.3875000 0.3875000 0.3067962), wk = 0.0039216 k( 187) = ( 0.3750000 0.3750000 0.3067962), wk = 0.0039216 k( 188) = ( 0.3625000 0.3625000 0.3067962), wk = 0.0039216 k( 189) = ( 0.3500000 0.3500000 0.3067962), wk = 0.0039216 k( 190) = ( 0.3375000 0.3375000 0.3067962), wk = 0.0039216 k( 191) = ( 0.3250000 0.3250000 0.3067962), wk = 0.0039216 k( 192) = ( 0.3125000 0.3125000 0.3067962), wk = 0.0039216 k( 193) = ( 0.3000000 0.3000000 0.3067962), wk = 0.0039216 k( 194) = ( 0.2875000 0.2875000 0.3067962), wk = 0.0039216 k( 195) = ( 0.2750000 0.2750000 0.3067962), wk = 0.0039216 k( 196) = ( 0.2625000 0.2625000 0.3067962), wk = 0.0039216 k( 197) = ( 0.2500000 0.2500000 0.3067962), wk = 0.0039216 k( 198) = ( 0.2375000 0.2375000 0.3067962), wk = 0.0039216 k( 199) = ( 0.2250000 0.2250000 0.3067962), wk = 0.0039216 k( 200) = ( 0.2125000 0.2125000 0.3067962), wk = 0.0039216 k( 201) = ( 0.2000000 0.2000000 0.3067962), wk = 0.0039216 k( 202) = ( 0.1875000 0.1875000 0.3067962), wk = 0.0039216 k( 203) = ( 0.1750000 0.1750000 0.3067962), wk = 0.0039216 k( 204) = ( 0.1625000 0.1625000 0.3067962), wk = 0.0039216 k( 205) = ( 0.1500000 0.1500000 0.3067962), wk = 0.0039216 k( 206) = ( 0.1375000 0.1375000 0.3067962), wk = 0.0039216 k( 207) = ( 0.1250000 0.1250000 0.3067962), wk = 0.0039216 k( 208) = ( 0.1125000 0.1125000 0.3067962), wk = 0.0039216 k( 209) = ( 0.1000000 0.1000000 0.3067962), wk = 0.0039216 k( 210) = ( 0.0875000 0.0875000 0.3067962), wk = 0.0039216 k( 211) = ( 0.0750000 0.0750000 0.3067962), wk = 0.0039216 k( 212) = ( 0.0625000 0.0625000 0.3067962), wk = 0.0039216 k( 213) = ( 0.0500000 0.0500000 0.3067962), wk = 0.0039216 k( 214) = ( 0.0375000 0.0375000 0.3067962), wk = 0.0039216 k( 215) = ( 0.0250000 0.0250000 0.3067962), wk = 0.0039216 k( 216) = ( 0.0125000 0.0125000 0.3067962), wk = 0.0039216 k( 217) = ( 0.0000000 0.0000000 0.3067962), wk = 0.0039216 k( 218) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039216 k( 219) = ( 0.0000000 0.5000000 0.0170442), wk = 0.0039216 k( 220) = ( 0.0000000 0.5000000 0.0340885), wk = 0.0039216 k( 221) = ( 0.0000000 0.5000000 0.0511327), wk = 0.0039216 k( 222) = ( 0.0000000 0.5000000 0.0681769), wk = 0.0039216 k( 223) = ( 0.0000000 0.5000000 0.0852212), wk = 0.0039216 k( 224) = ( 0.0000000 0.5000000 0.1022654), wk = 0.0039216 k( 225) = ( 0.0000000 0.5000000 0.1193096), wk = 0.0039216 k( 226) = ( 0.0000000 0.5000000 0.1363539), wk = 0.0039216 k( 227) = ( 0.0000000 0.5000000 0.1533981), wk = 0.0039216 k( 228) = ( 0.0000000 0.5000000 0.1704424), wk = 0.0039216 k( 229) = ( 0.0000000 0.5000000 0.1874866), wk = 0.0039216 k( 230) = ( 0.0000000 0.5000000 0.2045308), wk = 0.0039216 k( 231) = ( 0.0000000 0.5000000 0.2215751), wk = 0.0039216 k( 232) = ( 0.0000000 0.5000000 0.2386193), wk = 0.0039216 k( 233) = ( 0.0000000 0.5000000 0.2556635), wk = 0.0039216 k( 234) = ( 0.0000000 0.5000000 0.2727078), wk = 0.0039216 k( 235) = ( 0.0000000 0.5000000 0.2897520), wk = 0.0039216 k( 236) = ( 0.0000000 0.5000000 0.3067962), wk = 0.0039216 k( 237) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039216 k( 238) = ( 0.5000000 0.5000000 0.0170442), wk = 0.0039216 k( 239) = ( 0.5000000 0.5000000 0.0340885), wk = 0.0039216 k( 240) = ( 0.5000000 0.5000000 0.0511327), wk = 0.0039216 k( 241) = ( 0.5000000 0.5000000 0.0681769), wk = 0.0039216 k( 242) = ( 0.5000000 0.5000000 0.0852212), wk = 0.0039216 k( 243) = ( 0.5000000 0.5000000 0.1022654), wk = 0.0039216 k( 244) = ( 0.5000000 0.5000000 0.1193096), wk = 0.0039216 k( 245) = ( 0.5000000 0.5000000 0.1363539), wk = 0.0039216 k( 246) = ( 0.5000000 0.5000000 0.1533981), wk = 0.0039216 k( 247) = ( 0.5000000 0.5000000 0.1704424), wk = 0.0039216 k( 248) = ( 0.5000000 0.5000000 0.1874866), wk = 0.0039216 k( 249) = ( 0.5000000 0.5000000 0.2045308), wk = 0.0039216 k( 250) = ( 0.5000000 0.5000000 0.2215751), wk = 0.0039216 k( 251) = ( 0.5000000 0.5000000 0.2386193), wk = 0.0039216 k( 252) = ( 0.5000000 0.5000000 0.2556635), wk = 0.0039216 k( 253) = ( 0.5000000 0.5000000 0.2727078), wk = 0.0039216 k( 254) = ( 0.5000000 0.5000000 0.2897520), wk = 0.0039216 k( 255) = ( 0.5000000 0.5000000 0.3067962), wk = 0.0039216 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0039216 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0039216 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0039216 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0039216 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0039216 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0039216 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0039216 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0039216 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0039216 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0039216 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0039216 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0039216 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0039216 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0039216 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0039216 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0039216 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0039216 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0039216 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0039216 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0039216 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0039216 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0039216 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0039216 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0039216 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0039216 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0039216 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0039216 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039216 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039216 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0039216 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0039216 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0039216 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0039216 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0039216 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0039216 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0039216 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0039216 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0039216 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0039216 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0039216 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0039216 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0039216 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0039216 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0039216 k( 46) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0039216 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0039216 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0039216 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0039216 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0039216 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0039216 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0039216 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0039216 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0039216 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0039216 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0039216 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0039216 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039216 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039216 k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0039216 k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0039216 k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0039216 k( 63) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0039216 k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0039216 k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0039216 k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0039216 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0039216 k( 68) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0039216 k( 69) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0039216 k( 70) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0039216 k( 71) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0039216 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0039216 k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0039216 k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0039216 k( 75) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0039216 k( 76) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0039216 k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0039216 k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0039216 k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0039216 k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0039216 k( 81) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0039216 k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0039216 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0039216 k( 84) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0039216 k( 85) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0039216 k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0039216 k( 87) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0039216 k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0039216 k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0039216 k( 90) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0039216 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0039216 k( 92) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0039216 k( 93) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0039216 k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0039216 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0039216 k( 96) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0039216 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0039216 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0039216 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 101) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0039216 k( 102) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0039216 k( 103) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0039216 k( 104) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0039216 k( 105) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0039216 k( 106) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039216 k( 107) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0039216 k( 108) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0039216 k( 109) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039216 k( 110) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0039216 k( 111) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0039216 k( 112) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039216 k( 113) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0039216 k( 114) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0039216 k( 115) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0039216 k( 116) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0039216 k( 117) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0039216 k( 118) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 119) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 120) = ( 0.0000000 0.0178571 0.5000000), wk = 0.0039216 k( 121) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0039216 k( 122) = ( 0.0000000 0.0535714 0.5000000), wk = 0.0039216 k( 123) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0039216 k( 124) = ( 0.0000000 0.0892857 0.5000000), wk = 0.0039216 k( 125) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0039216 k( 126) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0039216 k( 127) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0039216 k( 128) = ( 0.0000000 0.1607143 0.5000000), wk = 0.0039216 k( 129) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0039216 k( 130) = ( 0.0000000 0.1964286 0.5000000), wk = 0.0039216 k( 131) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0039216 k( 132) = ( 0.0000000 0.2321429 0.5000000), wk = 0.0039216 k( 133) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0039216 k( 134) = ( 0.0000000 0.2678571 0.5000000), wk = 0.0039216 k( 135) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0039216 k( 136) = ( 0.0000000 0.3035714 0.5000000), wk = 0.0039216 k( 137) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0039216 k( 138) = ( 0.0000000 0.3392857 0.5000000), wk = 0.0039216 k( 139) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0039216 k( 140) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0039216 k( 141) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0039216 k( 142) = ( 0.0000000 0.4107143 0.5000000), wk = 0.0039216 k( 143) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0039216 k( 144) = ( 0.0000000 0.4464286 0.5000000), wk = 0.0039216 k( 145) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0039216 k( 146) = ( 0.0000000 0.4821429 0.5000000), wk = 0.0039216 k( 147) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039216 k( 148) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039216 k( 149) = ( 0.0178571 0.5000000 0.5000000), wk = 0.0039216 k( 150) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0039216 k( 151) = ( 0.0535714 0.5000000 0.5000000), wk = 0.0039216 k( 152) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0039216 k( 153) = ( 0.0892857 0.5000000 0.5000000), wk = 0.0039216 k( 154) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0039216 k( 155) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0039216 k( 156) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0039216 k( 157) = ( 0.1607143 0.5000000 0.5000000), wk = 0.0039216 k( 158) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0039216 k( 159) = ( 0.1964286 0.5000000 0.5000000), wk = 0.0039216 k( 160) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0039216 k( 161) = ( 0.2321429 0.5000000 0.5000000), wk = 0.0039216 k( 162) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0039216 k( 163) = ( 0.2678571 0.5000000 0.5000000), wk = 0.0039216 k( 164) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0039216 k( 165) = ( 0.3035714 0.5000000 0.5000000), wk = 0.0039216 k( 166) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0039216 k( 167) = ( 0.3392857 0.5000000 0.5000000), wk = 0.0039216 k( 168) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0039216 k( 169) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0039216 k( 170) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0039216 k( 171) = ( 0.4107143 0.5000000 0.5000000), wk = 0.0039216 k( 172) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0039216 k( 173) = ( 0.4464286 0.5000000 0.5000000), wk = 0.0039216 k( 174) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0039216 k( 175) = ( 0.4821429 0.5000000 0.5000000), wk = 0.0039216 k( 176) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 k( 177) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 k( 178) = ( 0.4875000 0.4875000 0.5000000), wk = 0.0039216 k( 179) = ( 0.4750000 0.4750000 0.5000000), wk = 0.0039216 k( 180) = ( 0.4625000 0.4625000 0.5000000), wk = 0.0039216 k( 181) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0039216 k( 182) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0039216 k( 183) = ( 0.4250000 0.4250000 0.5000000), wk = 0.0039216 k( 184) = ( 0.4125000 0.4125000 0.5000000), wk = 0.0039216 k( 185) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0039216 k( 186) = ( 0.3875000 0.3875000 0.5000000), wk = 0.0039216 k( 187) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0039216 k( 188) = ( 0.3625000 0.3625000 0.5000000), wk = 0.0039216 k( 189) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0039216 k( 190) = ( 0.3375000 0.3375000 0.5000000), wk = 0.0039216 k( 191) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0039216 k( 192) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0039216 k( 193) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0039216 k( 194) = ( 0.2875000 0.2875000 0.5000000), wk = 0.0039216 k( 195) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0039216 k( 196) = ( 0.2625000 0.2625000 0.5000000), wk = 0.0039216 k( 197) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0039216 k( 198) = ( 0.2375000 0.2375000 0.5000000), wk = 0.0039216 k( 199) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0039216 k( 200) = ( 0.2125000 0.2125000 0.5000000), wk = 0.0039216 k( 201) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0039216 k( 202) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0039216 k( 203) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0039216 k( 204) = ( 0.1625000 0.1625000 0.5000000), wk = 0.0039216 k( 205) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0039216 k( 206) = ( 0.1375000 0.1375000 0.5000000), wk = 0.0039216 k( 207) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0039216 k( 208) = ( 0.1125000 0.1125000 0.5000000), wk = 0.0039216 k( 209) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0039216 k( 210) = ( 0.0875000 0.0875000 0.5000000), wk = 0.0039216 k( 211) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0039216 k( 212) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0039216 k( 213) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0039216 k( 214) = ( 0.0375000 0.0375000 0.5000000), wk = 0.0039216 k( 215) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0039216 k( 216) = ( 0.0125000 0.0125000 0.5000000), wk = 0.0039216 k( 217) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 218) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039216 k( 219) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0039216 k( 220) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0039216 k( 221) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0039216 k( 222) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0039216 k( 223) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0039216 k( 224) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0039216 k( 225) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0039216 k( 226) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0039216 k( 227) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0039216 k( 228) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0039216 k( 229) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0039216 k( 230) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0039216 k( 231) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0039216 k( 232) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0039216 k( 233) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0039216 k( 234) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0039216 k( 235) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0039216 k( 236) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039216 k( 237) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039216 k( 238) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0039216 k( 239) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0039216 k( 240) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0039216 k( 241) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0039216 k( 242) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0039216 k( 243) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0039216 k( 244) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0039216 k( 245) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0039216 k( 246) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0039216 k( 247) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0039216 k( 248) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0039216 k( 249) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0039216 k( 250) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0039216 k( 251) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0039216 k( 252) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0039216 k( 253) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0039216 k( 254) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0039216 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 Dense grid: 82563 G-vectors FFT dimensions: ( 45, 45, 75) Smooth grid: 68127 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.45 Mb ( 388, 76) NL pseudopotentials 1.21 Mb ( 194, 408) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1718) G-vector shells 0.01 Mb ( 858) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.80 Mb ( 388, 304) Each subspace H/S matrix 1.41 Mb ( 304, 304) Each matrix 0.95 Mb ( 408, 2, 76) The potential is recalculated from file : ./AlPS4.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 49.2 secs Computing kpt #: 2 total cpu time spent up to now is 55.4 secs Computing kpt #: 3 total cpu time spent up to now is 61.5 secs Computing kpt #: 4 total cpu time spent up to now is 68.1 secs Computing kpt #: 5 total cpu time spent up to now is 74.5 secs Computing kpt #: 6 total cpu time spent up to now is 81.4 secs Computing kpt #: 7 total cpu time spent up to now is 88.9 secs Computing kpt #: 8 total cpu time spent up to now is 96.3 secs Computing kpt #: 9 total cpu time spent up to now is 104.9 secs Computing kpt #: 10 total cpu time spent up to now is 114.8 secs Computing kpt #: 11 total cpu time spent up to now is 125.5 secs Computing kpt #: 12 total cpu time spent up to now is 134.6 secs Computing kpt #: 13 total cpu time spent up to now is 143.3 secs Computing kpt #: 14 total cpu time spent up to now is 151.3 secs Computing kpt #: 15 total cpu time spent up to now is 160.8 secs Computing kpt #: 16 total cpu time spent up to now is 168.7 secs Computing kpt #: 17 total cpu time spent up to now is 176.5 secs Computing kpt #: 18 total cpu time spent up to now is 184.0 secs Computing kpt #: 19 total cpu time spent up to now is 191.7 secs Computing kpt #: 20 total cpu time spent up to now is 198.9 secs Computing kpt #: 21 total cpu time spent up to now is 205.7 secs Computing kpt #: 22 total cpu time spent up to now is 212.4 secs Computing kpt #: 23 total cpu time spent up to now is 219.1 secs Computing kpt #: 24 total cpu time spent up to now is 226.0 secs Computing kpt #: 25 total cpu time spent up to now is 233.4 secs Computing kpt #: 26 total cpu time spent up to now is 240.6 secs Computing kpt #: 27 total cpu time spent up to now is 248.3 secs Computing kpt #: 28 total cpu time spent up to now is 255.7 secs Computing kpt #: 29 total cpu time spent up to now is 263.1 secs Computing kpt #: 30 total cpu time spent up to now is 270.6 secs Computing kpt #: 31 total cpu time spent up to now is 277.9 secs Computing kpt #: 32 total cpu time spent up to now is 286.2 secs Computing kpt #: 33 total cpu time spent up to now is 293.8 secs Computing kpt #: 34 total cpu time spent up to now is 302.4 secs Computing kpt #: 35 total cpu time spent up to now is 309.9 secs Computing kpt #: 36 total cpu time spent up to now is 317.6 secs Computing kpt #: 37 total cpu time spent up to now is 325.5 secs Computing kpt #: 38 total cpu time spent up to now is 333.4 secs Computing kpt #: 39 total cpu time spent up to now is 343.8 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 355.9 secs Computing kpt #: 41 total cpu time spent up to now is 364.2 secs Computing kpt #: 42 total cpu time spent up to now is 372.2 secs Computing kpt #: 43 total cpu time spent up to now is 380.1 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 392.4 secs Computing kpt #: 45 total cpu time spent up to now is 403.1 secs Computing kpt #: 46 total cpu time spent up to now is 411.0 secs Computing kpt #: 47 total cpu time spent up to now is 418.9 secs Computing kpt #: 48 total cpu time spent up to now is 427.6 secs Computing kpt #: 49 total cpu time spent up to now is 435.2 secs Computing kpt #: 50 total cpu time spent up to now is 442.8 secs Computing kpt #: 51 total cpu time spent up to now is 450.2 secs Computing kpt #: 52 total cpu time spent up to now is 459.2 secs Computing kpt #: 53 total cpu time spent up to now is 467.1 secs Computing kpt #: 54 total cpu time spent up to now is 474.5 secs Computing kpt #: 55 total cpu time spent up to now is 482.4 secs Computing kpt #: 56 total cpu time spent up to now is 489.6 secs Computing kpt #: 57 total cpu time spent up to now is 497.1 secs Computing kpt #: 58 total cpu time spent up to now is 504.3 secs Computing kpt #: 59 total cpu time spent up to now is 511.3 secs Computing kpt #: 60 total cpu time spent up to now is 518.4 secs Computing kpt #: 61 total cpu time spent up to now is 525.8 secs Computing kpt #: 62 total cpu time spent up to now is 533.6 secs Computing kpt #: 63 total cpu time spent up to now is 541.8 secs Computing kpt #: 64 total cpu time spent up to now is 549.8 secs Computing kpt #: 65 total cpu time spent up to now is 557.8 secs Computing kpt #: 66 total cpu time spent up to now is 565.3 secs Computing kpt #: 67 total cpu time spent up to now is 573.0 secs Computing kpt #: 68 total cpu time spent up to now is 580.6 secs Computing kpt #: 69 total cpu time spent up to now is 588.0 secs Computing kpt #: 70 total cpu time spent up to now is 595.5 secs Computing kpt #: 71 total cpu time spent up to now is 603.0 secs Computing kpt #: 72 total cpu time spent up to now is 610.7 secs Computing kpt #: 73 total cpu time spent up to now is 618.3 secs Computing kpt #: 74 total cpu time spent up to now is 626.5 secs Computing kpt #: 75 total cpu time spent up to now is 634.2 secs Computing kpt #: 76 total cpu time spent up to now is 642.0 secs Computing kpt #: 77 total cpu time spent up to now is 649.8 secs Computing kpt #: 78 total cpu time spent up to now is 657.4 secs Computing kpt #: 79 total cpu time spent up to now is 664.9 secs Computing kpt #: 80 total cpu time spent up to now is 672.5 secs Computing kpt #: 81 total cpu time spent up to now is 680.3 secs Computing kpt #: 82 total cpu time spent up to now is 687.9 secs Computing kpt #: 83 total cpu time spent up to now is 695.5 secs Computing kpt #: 84 total cpu time spent up to now is 703.4 secs Computing kpt #: 85 total cpu time spent up to now is 711.3 secs Computing kpt #: 86 total cpu time spent up to now is 719.3 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 731.4 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 744.0 secs Computing kpt #: 89 total cpu time spent up to now is 753.5 secs Computing kpt #: 90 total cpu time spent up to now is 764.6 secs Computing kpt #: 91 total cpu time spent up to now is 772.3 secs Computing kpt #: 92 total cpu time spent up to now is 780.2 secs Computing kpt #: 93 total cpu time spent up to now is 787.6 secs Computing kpt #: 94 total cpu time spent up to now is 794.5 secs Computing kpt #: 95 total cpu time spent up to now is 801.0 secs Computing kpt #: 96 total cpu time spent up to now is 807.4 secs Computing kpt #: 97 total cpu time spent up to now is 813.8 secs Computing kpt #: 98 total cpu time spent up to now is 820.0 secs Computing kpt #: 99 total cpu time spent up to now is 826.2 secs Computing kpt #: 100 total cpu time spent up to now is 832.3 secs Computing kpt #: 101 total cpu time spent up to now is 838.8 secs Computing kpt #: 102 total cpu time spent up to now is 845.1 secs Computing kpt #: 103 total cpu time spent up to now is 851.3 secs Computing kpt #: 104 total cpu time spent up to now is 857.7 secs Computing kpt #: 105 total cpu time spent up to now is 864.8 secs Computing kpt #: 106 total cpu time spent up to now is 871.9 secs Computing kpt #: 107 total cpu time spent up to now is 879.5 secs Computing kpt #: 108 total cpu time spent up to now is 887.4 secs Computing kpt #: 109 total cpu time spent up to now is 896.2 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 907.8 secs Computing kpt #: 111 total cpu time spent up to now is 915.8 secs Computing kpt #: 112 total cpu time spent up to now is 923.5 secs Computing kpt #: 113 total cpu time spent up to now is 931.2 secs Computing kpt #: 114 total cpu time spent up to now is 938.8 secs Computing kpt #: 115 total cpu time spent up to now is 946.4 secs Computing kpt #: 116 total cpu time spent up to now is 954.0 secs Computing kpt #: 117 total cpu time spent up to now is 961.7 secs Computing kpt #: 118 total cpu time spent up to now is 969.1 secs Computing kpt #: 119 total cpu time spent up to now is 976.4 secs Computing kpt #: 120 total cpu time spent up to now is 983.9 secs Computing kpt #: 121 total cpu time spent up to now is 991.6 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1004.7 secs Computing kpt #: 123 total cpu time spent up to now is 1013.7 secs Computing kpt #: 124 total cpu time spent up to now is 1024.1 secs Computing kpt #: 125 total cpu time spent up to now is 1032.0 secs Computing kpt #: 126 total cpu time spent up to now is 1039.8 secs Computing kpt #: 127 total cpu time spent up to now is 1047.5 secs Computing kpt #: 128 total cpu time spent up to now is 1055.5 secs Computing kpt #: 129 total cpu time spent up to now is 1065.8 secs Computing kpt #: 130 total cpu time spent up to now is 1073.5 secs Computing kpt #: 131 total cpu time spent up to now is 1081.0 secs Computing kpt #: 132 total cpu time spent up to now is 1088.9 secs Computing kpt #: 133 total cpu time spent up to now is 1095.9 secs Computing kpt #: 134 total cpu time spent up to now is 1103.1 secs Computing kpt #: 135 total cpu time spent up to now is 1110.2 secs Computing kpt #: 136 total cpu time spent up to now is 1117.2 secs Computing kpt #: 137 total cpu time spent up to now is 1125.0 secs Computing kpt #: 138 total cpu time spent up to now is 1132.3 secs Computing kpt #: 139 total cpu time spent up to now is 1139.9 secs Computing kpt #: 140 total cpu time spent up to now is 1147.4 secs Computing kpt #: 141 total cpu time spent up to now is 1155.2 secs Computing kpt #: 142 total cpu time spent up to now is 1162.8 secs Computing kpt #: 143 total cpu time spent up to now is 1170.7 secs Computing kpt #: 144 total cpu time spent up to now is 1178.7 secs Computing kpt #: 145 total cpu time spent up to now is 1186.9 secs Computing kpt #: 146 total cpu time spent up to now is 1194.8 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1206.3 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1217.9 secs Computing kpt #: 149 total cpu time spent up to now is 1228.3 secs Computing kpt #: 150 total cpu time spent up to now is 1236.5 secs Computing kpt #: 151 total cpu time spent up to now is 1244.3 secs Computing kpt #: 152 total cpu time spent up to now is 1253.3 secs Computing kpt #: 153 total cpu time spent up to now is 1261.1 secs Computing kpt #: 154 total cpu time spent up to now is 1268.6 secs Computing kpt #: 155 total cpu time spent up to now is 1276.1 secs Computing kpt #: 156 total cpu time spent up to now is 1283.7 secs Computing kpt #: 157 total cpu time spent up to now is 1290.7 secs Computing kpt #: 158 total cpu time spent up to now is 1298.6 secs Computing kpt #: 159 total cpu time spent up to now is 1306.5 secs Computing kpt #: 160 total cpu time spent up to now is 1314.4 secs Computing kpt #: 161 total cpu time spent up to now is 1322.5 secs Computing kpt #: 162 total cpu time spent up to now is 1330.2 secs Computing kpt #: 163 total cpu time spent up to now is 1337.4 secs Computing kpt #: 164 total cpu time spent up to now is 1344.3 secs Computing kpt #: 165 total cpu time spent up to now is 1351.1 secs Computing kpt #: 166 total cpu time spent up to now is 1359.6 secs Computing kpt #: 167 total cpu time spent up to now is 1367.2 secs Computing kpt #: 168 total cpu time spent up to now is 1373.8 secs Computing kpt #: 169 total cpu time spent up to now is 1380.4 secs Computing kpt #: 170 total cpu time spent up to now is 1386.8 secs Computing kpt #: 171 total cpu time spent up to now is 1393.3 secs Computing kpt #: 172 total cpu time spent up to now is 1399.5 secs Computing kpt #: 173 total cpu time spent up to now is 1406.1 secs Computing kpt #: 174 total cpu time spent up to now is 1412.3 secs Computing kpt #: 175 total cpu time spent up to now is 1418.3 secs Computing kpt #: 176 total cpu time spent up to now is 1426.4 secs Computing kpt #: 177 total cpu time spent up to now is 1432.4 secs Computing kpt #: 178 total cpu time spent up to now is 1438.2 secs Computing kpt #: 179 total cpu time spent up to now is 1444.0 secs Computing kpt #: 180 total cpu time spent up to now is 1449.9 secs Computing kpt #: 181 total cpu time spent up to now is 1456.2 secs Computing kpt #: 182 total cpu time spent up to now is 1462.8 secs Computing kpt #: 183 total cpu time spent up to now is 1469.3 secs Computing kpt #: 184 total cpu time spent up to now is 1476.0 secs Computing kpt #: 185 total cpu time spent up to now is 1483.0 secs Computing kpt #: 186 total cpu time spent up to now is 1489.7 secs Computing kpt #: 187 total cpu time spent up to now is 1497.1 secs Computing kpt #: 188 total cpu time spent up to now is 1504.0 secs Computing kpt #: 189 total cpu time spent up to now is 1510.9 secs Computing kpt #: 190 total cpu time spent up to now is 1517.9 secs Computing kpt #: 191 total cpu time spent up to now is 1525.2 secs Computing kpt #: 192 total cpu time spent up to now is 1532.8 secs Computing kpt #: 193 total cpu time spent up to now is 1540.4 secs Computing kpt #: 194 total cpu time spent up to now is 1549.0 secs Computing kpt #: 195 total cpu time spent up to now is 1556.8 secs Computing kpt #: 196 total cpu time spent up to now is 1564.5 secs Computing kpt #: 197 total cpu time spent up to now is 1572.2 secs Computing kpt #: 198 total cpu time spent up to now is 1579.8 secs Computing kpt #: 199 total cpu time spent up to now is 1587.6 secs Computing kpt #: 200 total cpu time spent up to now is 1595.4 secs Computing kpt #: 201 total cpu time spent up to now is 1603.0 secs Computing kpt #: 202 total cpu time spent up to now is 1610.7 secs Computing kpt #: 203 total cpu time spent up to now is 1618.4 secs Computing kpt #: 204 total cpu time spent up to now is 1626.3 secs Computing kpt #: 205 total cpu time spent up to now is 1634.2 secs Computing kpt #: 206 total cpu time spent up to now is 1642.6 secs Computing kpt #: 207 total cpu time spent up to now is 1650.4 secs Computing kpt #: 208 total cpu time spent up to now is 1659.4 secs Computing kpt #: 209 total cpu time spent up to now is 1667.9 secs Computing kpt #: 210 total cpu time spent up to now is 1675.8 secs Computing kpt #: 211 total cpu time spent up to now is 1683.7 secs Computing kpt #: 212 total cpu time spent up to now is 1692.7 secs Computing kpt #: 213 total cpu time spent up to now is 1700.7 secs Computing kpt #: 214 total cpu time spent up to now is 1708.6 secs Computing kpt #: 215 total cpu time spent up to now is 1716.9 secs Computing kpt #: 216 total cpu time spent up to now is 1724.8 secs Computing kpt #: 217 total cpu time spent up to now is 1732.2 secs Computing kpt #: 218 total cpu time spent up to now is 1739.3 secs Computing kpt #: 219 total cpu time spent up to now is 1746.6 secs Computing kpt #: 220 total cpu time spent up to now is 1754.0 secs Computing kpt #: 221 total cpu time spent up to now is 1761.4 secs Computing kpt #: 222 total cpu time spent up to now is 1768.8 secs Computing kpt #: 223 total cpu time spent up to now is 1776.3 secs Computing kpt #: 224 total cpu time spent up to now is 1783.8 secs Computing kpt #: 225 total cpu time spent up to now is 1791.4 secs Computing kpt #: 226 total cpu time spent up to now is 1799.0 secs Computing kpt #: 227 total cpu time spent up to now is 1806.8 secs Computing kpt #: 228 total cpu time spent up to now is 1814.8 secs Computing kpt #: 229 total cpu time spent up to now is 1823.0 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1835.4 secs Computing kpt #: 231 total cpu time spent up to now is 1843.6 secs Computing kpt #: 232 total cpu time spent up to now is 1854.3 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1866.6 secs Computing kpt #: 234 total cpu time spent up to now is 1875.4 secs Computing kpt #: 235 total cpu time spent up to now is 1886.1 secs Computing kpt #: 236 total cpu time spent up to now is 1895.8 secs Computing kpt #: 237 total cpu time spent up to now is 1903.2 secs Computing kpt #: 238 total cpu time spent up to now is 1910.4 secs Computing kpt #: 239 total cpu time spent up to now is 1917.8 secs Computing kpt #: 240 total cpu time spent up to now is 1925.5 secs Computing kpt #: 241 total cpu time spent up to now is 1932.8 secs Computing kpt #: 242 total cpu time spent up to now is 1940.0 secs Computing kpt #: 243 total cpu time spent up to now is 1947.3 secs Computing kpt #: 244 total cpu time spent up to now is 1954.8 secs Computing kpt #: 245 total cpu time spent up to now is 1962.6 secs Computing kpt #: 246 total cpu time spent up to now is 1969.7 secs Computing kpt #: 247 total cpu time spent up to now is 1977.1 secs Computing kpt #: 248 total cpu time spent up to now is 1984.0 secs Computing kpt #: 249 total cpu time spent up to now is 1990.4 secs Computing kpt #: 250 total cpu time spent up to now is 1997.3 secs Computing kpt #: 251 total cpu time spent up to now is 2003.7 secs Computing kpt #: 252 total cpu time spent up to now is 2010.3 secs Computing kpt #: 253 total cpu time spent up to now is 2016.4 secs Computing kpt #: 254 total cpu time spent up to now is 2022.9 secs Computing kpt #: 255 total cpu time spent up to now is 2028.9 secs ethr = 1.56E-11, avg # of iterations = 48.0 total cpu time spent up to now is 2029.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8535 PWs) bands (ev): -12.5721 -12.5721 -12.4292 -12.4292 -9.7363 -9.7363 -9.7361 -9.7361 -9.4259 -9.4259 -9.1940 -9.1940 -9.1937 -9.1937 -8.9958 -8.9958 -5.6469 -5.6469 -5.2464 -5.2464 -2.0931 -2.0931 -2.0583 -2.0583 -2.0572 -2.0572 -1.7249 -1.7249 -1.6515 -1.6515 -1.5198 -1.5198 -1.5191 -1.5191 -1.4426 -1.4426 0.4488 0.4488 0.7179 0.7179 0.7442 0.7442 0.9563 0.9563 0.9657 0.9657 1.0212 1.0212 1.0414 1.0414 1.0537 1.0537 1.4327 1.4327 1.7963 1.7963 1.8323 1.8323 2.2807 2.2807 2.5566 2.5566 2.5632 2.5632 5.5608 5.5608 6.1192 6.1192 6.2042 6.2042 6.8322 6.8322 6.8340 6.8340 7.3276 7.3276 k = 0.0000 0.0179-0.0000 ( 8529 PWs) bands (ev): -12.5717 -12.5717 -12.4290 -12.4290 -9.7378 -9.7378 -9.7362 -9.7362 -9.4257 -9.4257 -9.1943 -9.1942 -9.1939 -9.1937 -8.9960 -8.9959 -5.6455 -5.6454 -5.2453 -5.2453 -2.0939 -2.0922 -2.0592 -2.0585 -2.0572 -2.0559 -1.7255 -1.7251 -1.6514 -1.6513 -1.5235 -1.5213 -1.5200 -1.5197 -1.4432 -1.4415 0.4506 0.4511 0.7187 0.7187 0.7428 0.7448 0.9518 0.9533 0.9668 0.9674 1.0115 1.0132 1.0343 1.0383 1.0695 1.0745 1.4317 1.4321 1.7960 1.7961 1.8316 1.8318 2.2799 2.2800 2.5558 2.5561 2.5630 2.5631 5.5613 5.5615 6.1205 6.1206 6.2055 6.2060 6.8325 6.8327 6.8345 6.8349 7.3300 7.3308 k = 0.0000 0.0357-0.0000 ( 8515 PWs) bands (ev): -12.5706 -12.5706 -12.4284 -12.4284 -9.7424 -9.7424 -9.7361 -9.7361 -9.4250 -9.4249 -9.1952 -9.1952 -9.1940 -9.1936 -8.9966 -8.9964 -5.6412 -5.6412 -5.2421 -5.2421 -2.0945 -2.0913 -2.0614 -2.0607 -2.0553 -2.0521 -1.7268 -1.7261 -1.6510 -1.6507 -1.5327 -1.5287 -1.5215 -1.5210 -1.4435 -1.4404 0.4565 0.4575 0.7209 0.7210 0.7407 0.7447 0.9359 0.9361 0.9739 0.9777 0.9977 1.0020 1.0355 1.0369 1.0966 1.0997 1.4293 1.4300 1.7944 1.7947 1.8307 1.8311 2.2777 2.2778 2.5519 2.5521 2.5646 2.5646 5.5630 5.5635 6.1243 6.1246 6.2099 6.2110 6.8330 6.8330 6.8375 6.8378 7.3380 7.3395 k = 0.0000 0.0536-0.0000 ( 8511 PWs) bands (ev): -12.5688 -12.5688 -12.4275 -12.4275 -9.7501 -9.7501 -9.7360 -9.7360 -9.4237 -9.4236 -9.1968 -9.1967 -9.1940 -9.1934 -8.9976 -8.9972 -5.6344 -5.6344 -5.2368 -5.2367 -2.0950 -2.0909 -2.0652 -2.0644 -2.0508 -2.0463 -1.7289 -1.7277 -1.6502 -1.6497 -1.5463 -1.5410 -1.5240 -1.5232 -1.4439 -1.4400 0.4663 0.4677 0.7238 0.7246 0.7386 0.7449 0.9096 0.9101 0.9857 0.9901 0.9927 0.9946 1.0371 1.0424 1.1225 1.1241 1.4257 1.4266 1.7903 1.7907 1.8313 1.8317 2.2740 2.2743 2.5437 2.5439 2.5686 2.5690 5.5659 5.5666 6.1305 6.1310 6.2175 6.2190 6.8328 6.8333 6.8429 6.8430 7.3513 7.3535 k = 0.0000 0.0714-0.0000 ( 8509 PWs) bands (ev): -12.5663 -12.5663 -12.4261 -12.4261 -9.7608 -9.7608 -9.7359 -9.7359 -9.4220 -9.4218 -9.1990 -9.1989 -9.1939 -9.1932 -8.9989 -8.9984 -5.6250 -5.6250 -5.2292 -5.2292 -2.0956 -2.0910 -2.0706 -2.0696 -2.0435 -2.0384 -1.7317 -1.7302 -1.6491 -1.6485 -1.5633 -1.5571 -1.5274 -1.5263 -1.4451 -1.4408 0.4799 0.4815 0.7265 0.7287 0.7373 0.7467 0.8790 0.8810 0.9824 0.9864 1.0015 1.0090 1.0457 1.0524 1.1455 1.1458 1.4211 1.4222 1.7831 1.7838 1.8346 1.8350 2.2689 2.2694 2.5320 2.5321 2.5747 2.5753 5.5700 5.5709 6.1388 6.1395 6.2281 6.2301 6.8324 6.8332 6.8505 6.8506 7.3696 7.3726 k = 0.0000 0.0893-0.0000 ( 8521 PWs) bands (ev): -12.5632 -12.5632 -12.4244 -12.4244 -9.7742 -9.7742 -9.7358 -9.7357 -9.4198 -9.4195 -9.2017 -9.2017 -9.1938 -9.1929 -9.0005 -9.0000 -5.6135 -5.6135 -5.2195 -5.2194 -2.0963 -2.0916 -2.0773 -2.0761 -2.0336 -2.0282 -1.7355 -1.7336 -1.6478 -1.6470 -1.5831 -1.5761 -1.5316 -1.5302 -1.4475 -1.4430 0.4967 0.4985 0.7277 0.7310 0.7385 0.7506 0.8481 0.8522 0.9757 0.9790 1.0137 1.0174 1.0664 1.0699 1.1635 1.1646 1.4160 1.4170 1.7738 1.7748 1.8407 1.8409 2.2625 2.2634 2.5170 2.5170 2.5825 2.5833 5.5753 5.5764 6.1489 6.1497 6.2418 6.2443 6.8312 6.8324 6.8602 6.8604 7.3925 7.3961 k = 0.0000 0.1071-0.0000 ( 8511 PWs) bands (ev): -12.5594 -12.5594 -12.4223 -12.4223 -9.7901 -9.7901 -9.7356 -9.7355 -9.4171 -9.4168 -9.2050 -9.2050 -9.1937 -9.1926 -9.0025 -9.0018 -5.6001 -5.6001 -5.2075 -5.2074 -2.0974 -2.0927 -2.0852 -2.0838 -2.0210 -2.0157 -1.7403 -1.7379 -1.6465 -1.6453 -1.6049 -1.5969 -1.5367 -1.5349 -1.4511 -1.4467 0.5164 0.5182 0.7266 0.7290 0.7416 0.7547 0.8213 0.8280 0.9676 0.9703 1.0211 1.0222 1.0953 1.0959 1.1763 1.1787 1.4109 1.4115 1.7642 1.7656 1.8488 1.8491 2.2550 2.2563 2.4989 2.4990 2.5918 2.5928 5.5818 5.5831 6.1602 6.1612 6.2587 6.2616 6.8290 6.8305 6.8721 6.8724 7.4193 7.4236 k = 0.0000 0.1250-0.0000 ( 8509 PWs) bands (ev): -12.5552 -12.5551 -12.4199 -12.4198 -9.8084 -9.8084 -9.7354 -9.7353 -9.4139 -9.4136 -9.2089 -9.2088 -9.1936 -9.1923 -9.0049 -9.0040 -5.5852 -5.5852 -5.1932 -5.1931 -2.0991 -2.0943 -2.0939 -2.0920 -2.0061 -2.0009 -1.7462 -1.7434 -1.6461 -1.6436 -1.6280 -1.6180 -1.5425 -1.5402 -1.4561 -1.4518 0.5384 0.5401 0.7193 0.7198 0.7444 0.7543 0.8071 0.8146 0.9576 0.9597 1.0235 1.0283 1.1259 1.1298 1.1834 1.1874 1.4064 1.4066 1.7560 1.7578 1.8582 1.8592 2.2463 2.2482 2.4781 2.4782 2.6024 2.6036 5.5894 5.5908 6.1723 6.1736 6.2786 6.2820 6.8251 6.8269 6.8861 6.8866 7.4491 7.4542 k = 0.0000 0.1429-0.0000 ( 8507 PWs) bands (ev): -12.5504 -12.5504 -12.4170 -12.4170 -9.8288 -9.8288 -9.7351 -9.7350 -9.4104 -9.4100 -9.2131 -9.2131 -9.1934 -9.1919 -9.0075 -9.0066 -5.5692 -5.5692 -5.1767 -5.1765 -2.1045 -2.1043 -2.0976 -2.0955 -1.9889 -1.9839 -1.7538 -1.7505 -1.6523 -1.6522 -1.6409 -1.6327 -1.5489 -1.5460 -1.4622 -1.4581 0.5622 0.5635 0.6975 0.7005 0.7481 0.7517 0.8103 0.8152 0.9452 0.9465 1.0258 1.0336 1.1588 1.1653 1.1848 1.1906 1.4025 1.4042 1.7506 1.7528 1.8687 1.8707 2.2367 2.2395 2.4548 2.4549 2.6141 2.6154 5.5981 5.5997 6.1847 6.1862 6.3016 6.3055 6.8188 6.8209 6.9023 6.9029 7.4799 7.4859 k = 0.0000 0.1607-0.0000 ( 8515 PWs) bands (ev): -12.5453 -12.5453 -12.4137 -12.4137 -9.8510 -9.8510 -9.7348 -9.7347 -9.4065 -9.4060 -9.2178 -9.2178 -9.1932 -9.1915 -9.0104 -9.0094 -5.5525 -5.5524 -5.1579 -5.1578 -2.1150 -2.1144 -2.0995 -2.0970 -1.9697 -1.9648 -1.7635 -1.7599 -1.6749 -1.6708 -1.6388 -1.6344 -1.5559 -1.5523 -1.4694 -1.4655 0.5870 0.5876 0.6671 0.6700 0.7531 0.7537 0.8231 0.8253 0.9298 0.9303 1.0286 1.0389 1.1808 1.1867 1.1916 1.2027 1.4011 1.4050 1.7486 1.7512 1.8801 1.8834 2.2265 2.2302 2.4292 2.4294 2.6268 2.6282 5.6080 5.6097 6.1969 6.1988 6.3277 6.3319 6.8094 6.8118 6.9205 6.9213 7.5049 7.5121 k = 0.0000 0.1786-0.0000 ( 8505 PWs) bands (ev): -12.5398 -12.5398 -12.4100 -12.4100 -9.8747 -9.8747 -9.7345 -9.7344 -9.4022 -9.4017 -9.2228 -9.2228 -9.1929 -9.1911 -9.0136 -9.0125 -5.5354 -5.5354 -5.1371 -5.1369 -2.1263 -2.1254 -2.1009 -2.0985 -1.9486 -1.9439 -1.7762 -1.7728 -1.6957 -1.6908 -1.6360 -1.6320 -1.5634 -1.5589 -1.4774 -1.4738 0.6104 0.6111 0.6331 0.6352 0.7576 0.7613 0.8403 0.8409 0.9104 0.9110 1.0320 1.0445 1.1736 1.1816 1.2208 1.2352 1.4041 1.4111 1.7501 1.7531 1.8920 1.8969 2.2157 2.2207 2.4018 2.4019 2.6402 2.6417 5.6189 5.6208 6.2087 6.2108 6.3567 6.3614 6.7964 6.7990 6.9408 6.9417 7.5044 7.5090 k = 0.0000 0.1964-0.0000 ( 8505 PWs) bands (ev): -12.5341 -12.5341 -12.4060 -12.4059 -9.8995 -9.8995 -9.7342 -9.7341 -9.3977 -9.3971 -9.2280 -9.2280 -9.1926 -9.1907 -9.0171 -9.0158 -5.5184 -5.5183 -5.1142 -5.1140 -2.1381 -2.1370 -2.1020 -2.0999 -1.9262 -1.9216 -1.7928 -1.7900 -1.7128 -1.7085 -1.6326 -1.6283 -1.5713 -1.5657 -1.4861 -1.4827 0.5902 0.5920 0.6379 0.6397 0.7641 0.7708 0.8592 0.8598 0.8867 0.8896 1.0361 1.0507 1.1644 1.1738 1.2444 1.2627 1.4140 1.4243 1.7547 1.7579 1.9045 1.9113 2.2048 2.2112 2.3727 2.3729 2.6543 2.6558 5.6310 5.6329 6.2195 6.2219 6.3887 6.3937 6.7794 6.7819 6.9628 6.9640 7.4757 7.4769 k = 0.0000 0.2143-0.0000 ( 8499 PWs) bands (ev): -12.5284 -12.5283 -12.4015 -12.4015 -9.9253 -9.9253 -9.7338 -9.7337 -9.3929 -9.3922 -9.2335 -9.2335 -9.1923 -9.1902 -9.0208 -9.0194 -5.5016 -5.5015 -5.0896 -5.0894 -2.1500 -2.1489 -2.1030 -2.1011 -1.9027 -1.8983 -1.8132 -1.8116 -1.7261 -1.7228 -1.6284 -1.6231 -1.5793 -1.5723 -1.4952 -1.4921 0.5480 0.5492 0.6601 0.6637 0.7724 0.7820 0.8577 0.8594 0.8814 0.8872 1.0409 1.0576 1.1552 1.1656 1.2610 1.2823 1.4325 1.4452 1.7615 1.7647 1.9174 1.9265 2.1940 2.2020 2.3425 2.3427 2.6687 2.6702 5.6441 5.6460 6.2291 6.2317 6.4236 6.4289 6.7582 6.7607 6.9865 6.9880 7.4398 7.4398 k = 0.0000 0.2321-0.0000 ( 8517 PWs) bands (ev): -12.5226 -12.5225 -12.3967 -12.3967 -9.9515 -9.9515 -9.7335 -9.7333 -9.3878 -9.3871 -9.2391 -9.2391 -9.1920 -9.1897 -9.0247 -9.0232 -5.4853 -5.4852 -5.0636 -5.0634 -2.1619 -2.1608 -2.1038 -2.1021 -1.8791 -1.8752 -1.8362 -1.8361 -1.7364 -1.7341 -1.6231 -1.6163 -1.5871 -1.5781 -1.5046 -1.5018 0.5014 0.5022 0.6809 0.6864 0.7822 0.7950 0.8295 0.8301 0.9049 0.9100 1.0464 1.0652 1.1473 1.1586 1.2714 1.2943 1.4584 1.4723 1.7694 1.7725 1.9310 1.9424 2.1836 2.1934 2.3116 2.3117 2.6835 2.6848 5.6581 5.6601 6.2373 6.2402 6.4611 6.4668 6.7333 6.7355 7.0117 7.0134 7.4038 7.4043 k = 0.0000 0.2500-0.0000 ( 8532 PWs) bands (ev): -12.5168 -12.5168 -12.3916 -12.3915 -9.9781 -9.9780 -9.7331 -9.7330 -9.3826 -9.3818 -9.2448 -9.2447 -9.1916 -9.1892 -9.0288 -9.0272 -5.4698 -5.4697 -5.0365 -5.0363 -2.1737 -2.1726 -2.1044 -2.1029 -1.8660 -1.8624 -1.8562 -1.8479 -1.7447 -1.7432 -1.6174 -1.6089 -1.5928 -1.5816 -1.5141 -1.5115 0.4506 0.4510 0.6995 0.7070 0.7927 0.7981 0.8005 0.8095 0.9301 0.9358 1.0527 1.0735 1.1417 1.1537 1.2778 1.3014 1.4885 1.5022 1.7773 1.7801 1.9453 1.9591 2.1741 2.1857 2.2804 2.2804 2.6983 2.6995 5.6730 5.6751 6.2439 6.2470 6.5013 6.5073 6.7052 6.7071 7.0379 7.0400 7.3703 7.3708 k = 0.0000 0.2679-0.0000 ( 8530 PWs) bands (ev): -12.5112 -12.5112 -12.3861 -12.3861 -10.0045 -10.0045 -9.7327 -9.7326 -9.3773 -9.3765 -9.2504 -9.2504 -9.1912 -9.1887 -9.0330 -9.0313 -5.4550 -5.4549 -5.0087 -5.0085 -2.1852 -2.1841 -2.1048 -2.1034 -1.8901 -1.8892 -1.8351 -1.8287 -1.7517 -1.7508 -1.6143 -1.6094 -1.5867 -1.5785 -1.5236 -1.5213 0.3950 0.3951 0.7159 0.7247 0.7669 0.7687 0.8065 0.8247 0.9566 0.9631 1.0598 1.0825 1.1387 1.1512 1.2824 1.3063 1.5190 1.5321 1.7841 1.7866 1.9608 1.9766 2.1657 2.1792 2.2494 2.2495 2.7130 2.7141 5.6887 5.6908 6.2489 6.2522 6.5439 6.5502 6.6749 6.6763 7.0650 7.0674 7.3392 7.3395 k = 0.0000 0.2857-0.0000 ( 8532 PWs) bands (ev): -12.5059 -12.5058 -12.3804 -12.3804 -10.0304 -10.0304 -9.7323 -9.7322 -9.3719 -9.3710 -9.2560 -9.2560 -9.1908 -9.1882 -9.0373 -9.0356 -5.4412 -5.4411 -4.9807 -4.9804 -2.1961 -2.1950 -2.1049 -2.1037 -1.9162 -1.9159 -1.8168 -1.8104 -1.7579 -1.7574 -1.6166 -1.6165 -1.5689 -1.5651 -1.5329 -1.5308 0.3348 0.3349 0.7298 0.7335 0.7372 0.7456 0.8196 0.8400 0.9838 0.9911 1.0678 1.0924 1.1386 1.1515 1.2866 1.3106 1.5475 1.5593 1.7889 1.7909 1.9779 1.9952 2.1590 2.1740 2.2193 2.2195 2.7276 2.7284 5.7050 5.7070 6.2522 6.2556 6.5886 6.5954 6.6434 6.6442 7.0924 7.0951 7.3102 7.3103 k = 0.0000 0.3036-0.0000 ( 8528 PWs) bands (ev): -12.5008 -12.5008 -12.3746 -12.3746 -10.0557 -10.0557 -9.7319 -9.7318 -9.3665 -9.3656 -9.2614 -9.2614 -9.1904 -9.1877 -9.0416 -9.0398 -5.4284 -5.4283 -4.9528 -4.9526 -2.2064 -2.2053 -2.1049 -2.1038 -1.9420 -1.9419 -1.8022 -1.7955 -1.7634 -1.7632 -1.6247 -1.6220 -1.5448 -1.5442 -1.5414 -1.5384 0.2702 0.2705 0.7088 0.7094 0.7427 0.7551 0.8325 0.8544 1.0112 1.0193 1.0768 1.1033 1.1417 1.1550 1.2911 1.3151 1.5719 1.5822 1.7908 1.7921 1.9968 2.0147 2.1539 2.1701 2.1911 2.1914 2.7417 2.7423 5.7217 5.7237 6.2539 6.2573 6.6103 6.6119 6.6367 6.6425 7.1196 7.1228 7.2828 7.2829 k = 0.0000 0.3214-0.0000 ( 8520 PWs) bands (ev): -12.4961 -12.4961 -12.3687 -12.3687 -10.0799 -10.0799 -9.7315 -9.7314 -9.3612 -9.3603 -9.2666 -9.2666 -9.1899 -9.1872 -9.0459 -9.0441 -5.4165 -5.4165 -4.9256 -4.9254 -2.2159 -2.2149 -2.1046 -2.1037 -1.9671 -1.9668 -1.7913 -1.7845 -1.7683 -1.7681 -1.6329 -1.6286 -1.5508 -1.5494 -1.5135 -1.5124 0.2022 0.2027 0.6834 0.6844 0.7538 0.7664 0.8441 0.8670 1.0377 1.0461 1.0872 1.1153 1.1485 1.1620 1.2965 1.3202 1.5913 1.5995 1.7889 1.7894 2.0176 2.0349 2.1495 2.1633 2.1668 2.1701 2.7553 2.7556 5.7385 5.7404 6.2541 6.2576 6.5798 6.5803 6.6847 6.6913 7.1463 7.1498 7.2568 7.2570 k = 0.0000 0.3393-0.0000 ( 8518 PWs) bands (ev): -12.4918 -12.4918 -12.3628 -12.3628 -10.1029 -10.1028 -9.7311 -9.7311 -9.3561 -9.3552 -9.2715 -9.2715 -9.1895 -9.1867 -9.0501 -9.0483 -5.4058 -5.4057 -4.8995 -4.8993 -2.2245 -2.2236 -2.1042 -2.1034 -1.9909 -1.9905 -1.7838 -1.7778 -1.7725 -1.7715 -1.6409 -1.6357 -1.5589 -1.5577 -1.4775 -1.4770 0.1318 0.1323 0.6609 0.6619 0.7639 0.7768 0.8537 0.8771 1.0618 1.0698 1.0992 1.1286 1.1605 1.1735 1.3027 1.3259 1.6051 1.6111 1.7823 1.7827 2.0397 2.0551 2.1366 2.1418 2.1569 2.1683 2.7682 2.7682 5.7553 5.7571 6.2529 6.2564 6.5503 6.5504 6.7345 6.7413 7.1717 7.1756 7.2321 7.2325 k = 0.0000 0.3571-0.0000 ( 8524 PWs) bands (ev): -12.4879 -12.4879 -12.3571 -12.3571 -10.1242 -10.1242 -9.7308 -9.7307 -9.3512 -9.3503 -9.2761 -9.2761 -9.1890 -9.1862 -9.0541 -9.0524 -5.3961 -5.3960 -4.8749 -4.8747 -2.2321 -2.2313 -2.1037 -2.1029 -2.0130 -2.0126 -1.7798 -1.7784 -1.7755 -1.7699 -1.6485 -1.6428 -1.5665 -1.5654 -1.4372 -1.4370 0.0602 0.0608 0.6410 0.6420 0.7733 0.7863 0.8610 0.8842 1.0822 1.0886 1.1130 1.1426 1.1791 1.1903 1.3095 1.3320 1.6134 1.6172 1.7704 1.7717 2.0615 2.0737 2.1183 2.1231 2.1594 2.1696 2.7799 2.7801 5.7716 5.7733 6.2508 6.2541 6.5227 6.5229 6.7853 6.7922 7.1952 7.1997 7.2088 7.2094 k = 0.0000 0.3750-0.0000 ( 8512 PWs) bands (ev): -12.4845 -12.4845 -12.3517 -12.3517 -10.1437 -10.1436 -9.7305 -9.7304 -9.3466 -9.3457 -9.2803 -9.2803 -9.1884 -9.1858 -9.0579 -9.0563 -5.3874 -5.3874 -4.8523 -4.8521 -2.2387 -2.2379 -2.1031 -2.1024 -2.0333 -2.0329 -1.7815 -1.7811 -1.7745 -1.7673 -1.6556 -1.6497 -1.5735 -1.5725 -1.3940 -1.3939 -0.0112 -0.0107 0.6239 0.6248 0.7822 0.7954 0.8658 0.8885 1.0979 1.1024 1.1283 1.1569 1.2042 1.2126 1.3168 1.3381 1.6167 1.6186 1.7540 1.7561 2.0792 2.0873 2.1048 2.1106 2.1670 2.1733 2.7906 2.7910 5.7871 5.7887 6.2478 6.2509 6.4980 6.4984 6.8365 6.8435 7.1869 7.1873 7.2168 7.2214 k = 0.0000 0.3929-0.0000 ( 8522 PWs) bands (ev): -12.4815 -12.4815 -12.3467 -12.3466 -10.1611 -10.1610 -9.7302 -9.7301 -9.3424 -9.3415 -9.2840 -9.2840 -9.1879 -9.1855 -9.0615 -9.0599 -5.3799 -5.3799 -4.8319 -4.8317 -2.2443 -2.2436 -2.1025 -2.1018 -2.0516 -2.0511 -1.7844 -1.7839 -1.7727 -1.7658 -1.6621 -1.6563 -1.5796 -1.5788 -1.3492 -1.3491 -0.0810 -0.0804 0.6093 0.6101 0.7906 0.8040 0.8681 0.8899 1.1098 1.1125 1.1445 1.1710 1.2336 1.2391 1.3240 1.3438 1.6161 1.6164 1.7335 1.7364 2.0829 2.0847 2.1070 2.1121 2.1788 2.1802 2.8001 2.8007 5.8016 5.8030 6.2443 6.2472 6.4764 6.4769 6.8873 6.8942 7.1668 7.1672 7.2353 7.2402 k = 0.0000 0.4107-0.0000 ( 8514 PWs) bands (ev): -12.4789 -12.4789 -12.3422 -12.3422 -10.1762 -10.1762 -9.7299 -9.7299 -9.3386 -9.3379 -9.2873 -9.2873 -9.1874 -9.1852 -9.0646 -9.0632 -5.3735 -5.3735 -4.8141 -4.8139 -2.2488 -2.2482 -2.1019 -2.1012 -2.0675 -2.0670 -1.7869 -1.7864 -1.7716 -1.7652 -1.6678 -1.6624 -1.5850 -1.5843 -1.3046 -1.3044 -0.1472 -0.1467 0.5972 0.5979 0.7988 0.8122 0.8685 0.8890 1.1187 1.1202 1.1607 1.1845 1.2650 1.2682 1.3310 1.3488 1.6119 1.6126 1.7102 1.7135 2.0760 2.0765 2.1147 2.1215 2.1905 2.1930 2.8084 2.8091 5.8146 5.8158 6.2407 6.2432 6.4583 6.4588 6.9368 6.9436 7.1487 7.1492 7.2505 7.2557 k = 0.0000 0.4286-0.0000 ( 8528 PWs) bands (ev): -12.4769 -12.4769 -12.3383 -12.3383 -10.1888 -10.1888 -9.7297 -9.7297 -9.3354 -9.3347 -9.2900 -9.2900 -9.1869 -9.1850 -9.0672 -9.0660 -5.3683 -5.3682 -4.7991 -4.7990 -2.2523 -2.2518 -2.1014 -2.1007 -2.0809 -2.0804 -1.7890 -1.7885 -1.7707 -1.7652 -1.6725 -1.6678 -1.5894 -1.5889 -1.2619 -1.2617 -0.2078 -0.2073 0.5874 0.5879 0.8067 0.8199 0.8673 0.8862 1.1255 1.1262 1.1763 1.1968 1.2963 1.2979 1.3375 1.3528 1.6061 1.6072 1.6853 1.6889 2.0689 2.0700 2.1208 2.1285 2.2032 2.2074 2.8153 2.8160 5.8258 5.8268 6.2373 6.2393 6.4436 6.4441 6.9839 6.9903 7.1332 7.1336 7.2621 7.2673 k = 0.0000 0.4464-0.0000 ( 8536 PWs) bands (ev): -12.4753 -12.4752 -12.3352 -12.3352 -10.1988 -10.1988 -9.7295 -9.7295 -9.3328 -9.3323 -9.2921 -9.2921 -9.1864 -9.1849 -9.0693 -9.0684 -5.3642 -5.3641 -4.7872 -4.7871 -2.2548 -2.2545 -2.1013 -2.1005 -2.0914 -2.0908 -1.7905 -1.7902 -1.7700 -1.7656 -1.6762 -1.6723 -1.5930 -1.5926 -1.2237 -1.2235 -0.2600 -0.2597 0.5799 0.5803 0.8143 0.8267 0.8652 0.8821 1.1306 1.1308 1.1905 1.2069 1.3254 1.3262 1.3435 1.3557 1.6001 1.6011 1.6609 1.6645 2.0639 2.0650 2.1254 2.1324 2.2159 2.2201 2.8208 2.8214 5.8349 5.8356 6.2343 6.2359 6.4323 6.4328 7.0267 7.0324 7.1205 7.1209 7.2698 7.2748 k = 0.0000 0.4643-0.0000 ( 8524 PWs) bands (ev): -12.4741 -12.4741 -12.3329 -12.3329 -10.2060 -10.2060 -9.7294 -9.7294 -9.3308 -9.3305 -9.2937 -9.2937 -9.1859 -9.1849 -9.0708 -9.0702 -5.3612 -5.3612 -4.7786 -4.7786 -2.2566 -2.2563 -2.1026 -2.1018 -2.0977 -2.0969 -1.7916 -1.7914 -1.7693 -1.7662 -1.6786 -1.6759 -1.5955 -1.5952 -1.1929 -1.1928 -0.3009 -0.3007 0.5746 0.5748 0.8213 0.8319 0.8635 0.8770 1.1341 1.1341 1.2025 1.2140 1.3451 1.3491 1.3539 1.3585 1.5947 1.5952 1.6398 1.6429 2.0606 2.0614 2.1290 2.1341 2.2266 2.2298 2.8248 2.8252 5.8416 5.8421 6.2321 6.2332 6.4244 6.4248 7.0626 7.0672 7.1112 7.1115 7.2737 7.2780 k = 0.0000 0.4821-0.0000 ( 8534 PWs) bands (ev): -12.4734 -12.4734 -12.3315 -12.3315 -10.2104 -10.2104 -9.7293 -9.7293 -9.3296 -9.3294 -9.2946 -9.2946 -9.1855 -9.1850 -9.0717 -9.0714 -5.3594 -5.3594 -4.7734 -4.7734 -2.2575 -2.2574 -2.1056 -2.1053 -2.0987 -2.0985 -1.7923 -1.7922 -1.7686 -1.7670 -1.6799 -1.6785 -1.5970 -1.5969 -1.1727 -1.1726 -0.3272 -0.3271 0.5714 0.5716 0.8275 0.8339 0.8637 0.8716 1.1362 1.1362 1.2114 1.2174 1.3504 1.3547 1.3701 1.3702 1.5905 1.5906 1.6255 1.6275 2.0588 2.0592 2.1316 2.1343 2.2338 2.2355 2.8273 2.8275 5.8458 5.8460 6.2308 6.2313 6.4198 6.4200 7.0880 7.0905 7.1054 7.1057 7.2751 7.2777 k = 0.0000 0.5000-0.0000 ( 8538 PWs) bands (ev): -12.4732 -12.4732 -12.3311 -12.3311 -10.2118 -10.2118 -9.7293 -9.7293 -9.3292 -9.3292 -9.2949 -9.2949 -9.1852 -9.1852 -9.0719 -9.0719 -5.3589 -5.3589 -4.7716 -4.7716 -2.2578 -2.2578 -2.1068 -2.1068 -2.0987 -2.0987 -1.7924 -1.7924 -1.7678 -1.7678 -1.6798 -1.6798 -1.5974 -1.5974 -1.1656 -1.1656 -0.3363 -0.3363 0.5704 0.5704 0.8321 0.8321 0.8667 0.8667 1.1368 1.1368 1.2165 1.2165 1.3534 1.3534 1.3764 1.3764 1.5887 1.5887 1.6212 1.6212 2.0583 2.0583 2.1334 2.1334 2.2369 2.2369 2.8282 2.8282 5.8472 5.8472 6.2305 6.2305 6.4183 6.4183 7.0981 7.0981 7.1035 7.1035 7.2761 7.2761 k = 0.0000 0.5000-0.0000 ( 8538 PWs) bands (ev): -12.4732 -12.4732 -12.3311 -12.3311 -10.2118 -10.2118 -9.7293 -9.7293 -9.3292 -9.3292 -9.2949 -9.2949 -9.1852 -9.1852 -9.0719 -9.0719 -5.3589 -5.3589 -4.7716 -4.7716 -2.2578 -2.2578 -2.1068 -2.1068 -2.0987 -2.0987 -1.7924 -1.7924 -1.7678 -1.7678 -1.6798 -1.6798 -1.5974 -1.5974 -1.1656 -1.1656 -0.3363 -0.3363 0.5704 0.5704 0.8321 0.8321 0.8667 0.8667 1.1368 1.1368 1.2165 1.2165 1.3534 1.3534 1.3764 1.3764 1.5887 1.5887 1.6212 1.6212 2.0583 2.0583 2.1334 2.1334 2.2369 2.2369 2.8282 2.8282 5.8472 5.8472 6.2305 6.2305 6.4183 6.4183 7.0981 7.0981 7.1035 7.1035 7.2761 7.2761 k = 0.0179 0.5000-0.0000 ( 8526 PWs) bands (ev): -12.4727 -12.4727 -12.3310 -12.3310 -10.2118 -10.2118 -9.7307 -9.7307 -9.3291 -9.3290 -9.2949 -9.2947 -9.1853 -9.1853 -9.0722 -9.0722 -5.3569 -5.3569 -4.7716 -4.7716 -2.2592 -2.2591 -2.1082 -2.1081 -2.0976 -2.0974 -1.8066 -1.8065 -1.7539 -1.7534 -1.6825 -1.6794 -1.5988 -1.5964 -1.1656 -1.1655 -0.3358 -0.3355 0.5721 0.5742 0.8302 0.8358 0.8657 0.8663 1.1369 1.1397 1.2135 1.2139 1.3494 1.3508 1.3780 1.3795 1.5770 1.5923 1.6209 1.6375 2.0572 2.0603 2.1315 2.1349 2.2361 2.2367 2.8277 2.8277 5.8469 5.8470 6.2291 6.2291 6.4188 6.4191 7.0849 7.0856 7.1166 7.1179 7.2738 7.2745 k = 0.0357 0.5000-0.0000 ( 8522 PWs) bands (ev): -12.4713 -12.4713 -12.3308 -12.3308 -10.2117 -10.2116 -9.7349 -9.7349 -9.3289 -9.3287 -9.2946 -9.2944 -9.1856 -9.1856 -9.0732 -9.0731 -5.3510 -5.3510 -4.7715 -4.7715 -2.2631 -2.2629 -2.1125 -2.1122 -2.0937 -2.0933 -1.8284 -1.8282 -1.7326 -1.7311 -1.6877 -1.6811 -1.6002 -1.5956 -1.1656 -1.1653 -0.3342 -0.3335 0.5793 0.5835 0.8299 0.8411 0.8633 0.8644 1.1399 1.1453 1.2056 1.2065 1.3395 1.3414 1.3845 1.3865 1.5679 1.5853 1.6387 1.6588 2.0566 2.0629 2.1292 2.1359 2.2344 2.2356 2.8264 2.8265 5.8459 5.8463 6.2248 6.2248 6.4206 6.4212 7.0705 7.0709 7.1333 7.1348 7.2676 7.2690 k = 0.0536 0.5000-0.0000 ( 8526 PWs) bands (ev): -12.4690 -12.4690 -12.3304 -12.3304 -10.2115 -10.2114 -9.7419 -9.7419 -9.3285 -9.3283 -9.2942 -9.2938 -9.1862 -9.1861 -9.0747 -9.0746 -5.3413 -5.3413 -4.7713 -4.7713 -2.2692 -2.2689 -2.1199 -2.1195 -2.0874 -2.0868 -1.8508 -1.8506 -1.7130 -1.7082 -1.6951 -1.6832 -1.6012 -1.5948 -1.1655 -1.1651 -0.3313 -0.3303 0.5917 0.5978 0.8310 0.8469 0.8597 0.8612 1.1463 1.1534 1.1938 1.1956 1.3243 1.3265 1.3949 1.3967 1.5633 1.5799 1.6616 1.6825 2.0564 2.0661 2.1266 2.1369 2.2317 2.2335 2.8243 2.8244 5.8445 5.8450 6.2177 6.2178 6.4236 6.4245 7.0567 7.0568 7.1508 7.1525 7.2570 7.2592 k = 0.0714 0.5000-0.0000 ( 8504 PWs) bands (ev): -12.4658 -12.4658 -12.3298 -12.3298 -10.2112 -10.2111 -9.7515 -9.7514 -9.3280 -9.3276 -9.2935 -9.2930 -9.1869 -9.1868 -9.0769 -9.0768 -5.3279 -5.3279 -4.7710 -4.7710 -2.2769 -2.2765 -2.1300 -2.1294 -2.0793 -2.0784 -1.8730 -1.8728 -1.7072 -1.7068 -1.6834 -1.6752 -1.6014 -1.5936 -1.1653 -1.1648 -0.3272 -0.3259 0.6089 0.6166 0.8322 0.8481 0.8570 0.8593 1.1562 1.1622 1.1794 1.1844 1.3050 1.3073 1.4077 1.4094 1.5632 1.5785 1.6863 1.7074 2.0561 2.0692 2.1243 2.1383 2.2282 2.2306 2.8215 2.8216 5.8425 5.8431 6.2079 6.2079 6.4276 6.4289 7.0433 7.0436 7.1690 7.1708 7.2415 7.2444 k = 0.0893 0.5000-0.0000 ( 8516 PWs) bands (ev): -12.4618 -12.4618 -12.3291 -12.3291 -10.2108 -10.2108 -9.7635 -9.7635 -9.3273 -9.3268 -9.2927 -9.2921 -9.1878 -9.1877 -9.0796 -9.0795 -5.3110 -5.3110 -4.7706 -4.7706 -2.2859 -2.2854 -2.1425 -2.1419 -2.0700 -2.0688 -1.8945 -1.8945 -1.7208 -1.7161 -1.6599 -1.6549 -1.6004 -1.5916 -1.1650 -1.1644 -0.3219 -0.3203 0.6303 0.6393 0.8310 0.8402 0.8537 0.8651 1.1594 1.1634 1.1702 1.1865 1.2829 1.2855 1.4224 1.4239 1.5674 1.5813 1.7115 1.7328 2.0552 2.0714 2.1232 2.1404 2.2239 2.2268 2.8181 2.8183 5.8400 5.8408 6.1954 6.1955 6.4325 6.4342 7.0304 7.0311 7.1876 7.1892 7.2201 7.2237 k = 0.1071 0.5000-0.0000 ( 8512 PWs) bands (ev): -12.4569 -12.4569 -12.3283 -12.3283 -10.2105 -10.2104 -9.7779 -9.7779 -9.3264 -9.3259 -9.2916 -9.2909 -9.1888 -9.1888 -9.0830 -9.0828 -5.2909 -5.2909 -4.7702 -4.7702 -2.2956 -2.2951 -2.1572 -2.1565 -2.0601 -2.0586 -1.9153 -1.9150 -1.7375 -1.7314 -1.6366 -1.6318 -1.5982 -1.5885 -1.1646 -1.1638 -0.3154 -0.3135 0.6551 0.6648 0.8235 0.8278 0.8541 0.8714 1.1456 1.1473 1.1879 1.2024 1.2596 1.2623 1.4384 1.4397 1.5752 1.5881 1.7366 1.7582 2.0535 2.0718 2.1241 2.1435 2.2187 2.2222 2.8144 2.8145 5.8370 5.8380 6.1804 6.1805 6.4379 6.4401 7.0180 7.0190 7.1918 7.1939 7.2064 7.2100 k = 0.1250 0.5000-0.0000 ( 8512 PWs) bands (ev): -12.4512 -12.4512 -12.3274 -12.3274 -10.2101 -10.2100 -9.7943 -9.7943 -9.3255 -9.3248 -9.2904 -9.2895 -9.1900 -9.1899 -9.0868 -9.0866 -5.2678 -5.2678 -4.7698 -4.7698 -2.3060 -2.3055 -2.1738 -2.1730 -2.0504 -2.0483 -1.9347 -1.9340 -1.7566 -1.7502 -1.6143 -1.6081 -1.5949 -1.5834 -1.1640 -1.1632 -0.3078 -0.3056 0.6822 0.6914 0.8095 0.8114 0.8580 0.8766 1.1305 1.1315 1.2092 1.2218 1.2372 1.2402 1.4554 1.4566 1.5864 1.5986 1.7612 1.7831 2.0507 2.0698 2.1275 2.1478 2.2129 2.2169 2.8105 2.8105 5.8337 5.8347 6.1629 6.1631 6.4436 6.4463 7.0059 7.0073 7.1565 7.1595 7.2250 7.2276 k = 0.1429 0.5000-0.0000 ( 8512 PWs) bands (ev): -12.4448 -12.4448 -12.3263 -12.3263 -10.2098 -10.2097 -9.8126 -9.8126 -9.3243 -9.3236 -9.2890 -9.2880 -9.1913 -9.1912 -9.0911 -9.0909 -5.2421 -5.2421 -4.7693 -4.7693 -2.3168 -2.3162 -2.1918 -2.1909 -2.0420 -2.0390 -1.9519 -1.9505 -1.7779 -1.7714 -1.5966 -1.5925 -1.5824 -1.5730 -1.1632 -1.1623 -0.2990 -0.2964 0.7097 0.7166 0.7905 0.7910 0.8644 0.8804 1.1161 1.1168 1.2100 1.2131 1.2407 1.2506 1.4733 1.4745 1.6008 1.6128 1.7850 1.8071 2.0470 2.0659 2.1329 2.1529 2.2065 2.2110 2.8066 2.8066 5.8300 5.8312 6.1433 6.1436 6.4491 6.4522 6.9939 6.9957 7.1150 7.1179 7.2423 7.2448 k = 0.1607 0.5000-0.0000 ( 8508 PWs) bands (ev): -12.4377 -12.4377 -12.3252 -12.3252 -10.2095 -10.2094 -9.8324 -9.8324 -9.3231 -9.3222 -9.2874 -9.2863 -9.1927 -9.1926 -9.0959 -9.0956 -5.2141 -5.2140 -4.7687 -4.7687 -2.3278 -2.3273 -2.2110 -2.2101 -2.0366 -2.0326 -1.9651 -1.9626 -1.8007 -1.7944 -1.5879 -1.5868 -1.5582 -1.5541 -1.1622 -1.1612 -0.2891 -0.2862 0.7324 0.7340 0.7693 0.7698 0.8746 0.8837 1.1031 1.1036 1.1898 1.1915 1.2712 1.2791 1.4921 1.4932 1.6182 1.6304 1.8077 1.8302 2.0425 2.0606 2.1393 2.1586 2.1997 2.2045 2.8029 2.8031 5.8260 5.8273 6.1218 6.1222 6.4538 6.4575 6.9820 6.9842 7.0698 7.0723 7.2557 7.2578 k = 0.1786 0.5000-0.0000 ( 8506 PWs) bands (ev): -12.4300 -12.4300 -12.3239 -12.3239 -10.2094 -10.2093 -9.8535 -9.8534 -9.3217 -9.3208 -9.2856 -9.2843 -9.1942 -9.1941 -9.1011 -9.1008 -5.1842 -5.1841 -4.7681 -4.7681 -2.3391 -2.3386 -2.2310 -2.2301 -2.0368 -2.0319 -1.9713 -1.9680 -1.8248 -1.8187 -1.5834 -1.5808 -1.5333 -1.5310 -1.1608 -1.1597 -0.2781 -0.2749 0.7240 0.7245 0.7634 0.7683 0.8892 0.8907 1.0918 1.0921 1.1707 1.1712 1.3069 1.3116 1.5117 1.5128 1.6385 1.6513 1.8291 1.8520 2.0376 2.0548 2.1458 2.1644 2.1926 2.1975 2.7998 2.8002 5.8218 5.8231 6.0986 6.0991 6.4575 6.4616 6.9697 6.9725 7.0236 7.0256 7.2538 7.2565 k = 0.1964 0.5000-0.0000 ( 8502 PWs) bands (ev): -12.4218 -12.4218 -12.3226 -12.3226 -10.2095 -10.2093 -9.8754 -9.8753 -9.3203 -9.3192 -9.2837 -9.2823 -9.1957 -9.1956 -9.1067 -9.1063 -5.1527 -5.1527 -4.7676 -4.7676 -2.3506 -2.3500 -2.2516 -2.2506 -2.0429 -2.0380 -1.9694 -1.9661 -1.8496 -1.8438 -1.5787 -1.5757 -1.5082 -1.5066 -1.1590 -1.1579 -0.2661 -0.2626 0.6914 0.6916 0.7642 0.7778 0.9010 0.9141 1.0821 1.0822 1.1528 1.1539 1.3465 1.3478 1.5321 1.5331 1.6614 1.6752 1.8491 1.8724 2.0326 2.0490 2.1515 2.1696 2.1855 2.1901 2.7975 2.7981 5.8174 5.8188 6.0741 6.0746 6.4594 6.4640 6.9560 6.9594 6.9797 6.9810 7.2278 7.2320 k = 0.2143 0.5000-0.0000 ( 8494 PWs) bands (ev): -12.4132 -12.4132 -12.3212 -12.3212 -10.2098 -10.2097 -9.8979 -9.8978 -9.3187 -9.3176 -9.2815 -9.2800 -9.1973 -9.1972 -9.1127 -9.1122 -5.1202 -5.1201 -4.7670 -4.7670 -2.3622 -2.3617 -2.2724 -2.2715 -2.0528 -2.0483 -1.9621 -1.9593 -1.8747 -1.8692 -1.5741 -1.5710 -1.4829 -1.4817 -1.1566 -1.1554 -0.2531 -0.2493 0.6513 0.6520 0.7584 0.7772 0.9216 0.9431 1.0738 1.0739 1.1366 1.1396 1.3872 1.3893 1.5533 1.5542 1.6867 1.7019 1.8676 1.8914 2.0278 2.0434 2.1553 2.1737 2.1789 2.1825 2.7963 2.7971 5.8129 5.8143 6.0485 6.0490 6.4592 6.4642 6.9300 6.9328 6.9503 6.9521 7.2019 7.2062 k = 0.2321 0.5000-0.0000 ( 8492 PWs) bands (ev): -12.4042 -12.4042 -12.3198 -12.3198 -10.2105 -10.2104 -9.9205 -9.9205 -9.3171 -9.3159 -9.2792 -9.2776 -9.1989 -9.1987 -9.1189 -9.1184 -5.0870 -5.0869 -4.7664 -4.7664 -2.3740 -2.3735 -2.2933 -2.2923 -2.0637 -2.0597 -1.9525 -1.9502 -1.8998 -1.8945 -1.5695 -1.5665 -1.4577 -1.4567 -1.1534 -1.1522 -0.2392 -0.2351 0.6068 0.6077 0.7463 0.7666 0.9483 0.9751 1.0667 1.0668 1.1227 1.1281 1.4294 1.4347 1.5752 1.5761 1.7142 1.7310 1.8846 1.9090 2.0233 2.0384 2.1557 2.1741 2.1745 2.1764 2.7964 2.7975 5.8083 5.8097 6.0221 6.0227 6.4564 6.4618 6.8928 6.8946 6.9352 6.9381 7.1769 7.1792 k = 0.2500 0.5000-0.0000 ( 8490 PWs) bands (ev): -12.3949 -12.3949 -12.3184 -12.3184 -10.2116 -10.2115 -9.9430 -9.9429 -9.3154 -9.3142 -9.2767 -9.2749 -9.2004 -9.2003 -9.1254 -9.1248 -5.0535 -5.0535 -4.7658 -4.7658 -2.3859 -2.3854 -2.3139 -2.3129 -2.0743 -2.0707 -1.9421 -1.9405 -1.9244 -1.9191 -1.5649 -1.5622 -1.4326 -1.4318 -1.1492 -1.1480 -0.2245 -0.2202 0.5586 0.5597 0.7295 0.7494 0.9773 1.0077 1.0604 1.0608 1.1111 1.1197 1.4740 1.4818 1.5978 1.5987 1.7433 1.7620 1.9000 1.9250 2.0194 2.0341 2.1518 2.1665 2.1715 2.1772 2.7979 2.7993 5.8037 5.8051 5.9953 5.9960 6.4510 6.4566 6.8582 6.8594 6.9212 6.9245 7.1453 7.1497 k = 0.2679 0.5000-0.0000 ( 8500 PWs) bands (ev): -12.3855 -12.3855 -12.3170 -12.3170 -10.2134 -10.2132 -9.9648 -9.9647 -9.3138 -9.3125 -9.2740 -9.2722 -9.2020 -9.2019 -9.1320 -9.1314 -5.0202 -5.0202 -4.7653 -4.7653 -2.3979 -2.3974 -2.3340 -2.3331 -2.0839 -2.0807 -1.9488 -1.9453 -1.9309 -1.9282 -1.5606 -1.5580 -1.4082 -1.4075 -1.1436 -1.1425 -0.2091 -0.2046 0.5074 0.5086 0.7094 0.7281 1.0047 1.0376 1.0548 1.0563 1.1028 1.1156 1.5202 1.5301 1.6211 1.6220 1.7737 1.7943 1.9139 1.9395 2.0162 2.0306 2.1453 2.1585 2.1692 2.1757 2.8009 2.8026 5.7992 5.8005 5.9686 5.9692 6.4428 6.4485 6.8280 6.8287 6.9066 6.9102 7.1081 7.1124 k = 0.2857 0.5000-0.0000 ( 8502 PWs) bands (ev): -12.3761 -12.3761 -12.3156 -12.3155 -10.2158 -10.2156 -9.9856 -9.9855 -9.3121 -9.3108 -9.2712 -9.2692 -9.2035 -9.2034 -9.1389 -9.1382 -4.9875 -4.9874 -4.7647 -4.7647 -2.4098 -2.4094 -2.3534 -2.3525 -2.0923 -2.0894 -1.9718 -1.9681 -1.9204 -1.9185 -1.5564 -1.5541 -1.3847 -1.3841 -1.1363 -1.1352 -0.1931 -0.1884 0.4540 0.4552 0.6870 0.7043 1.0264 1.0480 1.0498 1.0632 1.1037 1.1183 1.5674 1.5787 1.6451 1.6459 1.8046 1.8274 1.9263 1.9526 2.0136 2.0281 2.1379 2.1505 2.1655 2.1719 2.8054 2.8074 5.7947 5.7960 5.9422 5.9428 6.4321 6.4377 6.8022 6.8023 6.8912 6.8950 7.0699 7.0743 k = 0.3036 0.5000-0.0000 ( 8506 PWs) bands (ev): -12.3668 -12.3668 -12.3142 -12.3142 -10.2189 -10.2188 -10.0050 -10.0049 -9.3104 -9.3091 -9.2681 -9.2660 -9.2049 -9.2048 -9.1458 -9.1450 -4.9558 -4.9557 -4.7642 -4.7642 -2.4215 -2.4212 -2.3719 -2.3711 -2.0994 -2.0967 -1.9937 -1.9903 -1.9101 -1.9085 -1.5525 -1.5504 -1.3626 -1.3621 -1.1268 -1.1258 -0.1766 -0.1719 0.3990 0.4002 0.6632 0.6791 1.0386 1.0442 1.0451 1.0662 1.1227 1.1305 1.6149 1.6267 1.6697 1.6707 1.8356 1.8605 1.9373 1.9644 2.0118 2.0263 2.1304 2.1427 2.1597 2.1656 2.8113 2.8135 5.7904 5.7917 5.9165 5.9171 6.4194 6.4248 6.7802 6.7805 6.8748 6.8785 7.0320 7.0365 k = 0.3214 0.5000-0.0000 ( 8506 PWs) bands (ev): -12.3577 -12.3577 -12.3128 -12.3128 -10.2230 -10.2228 -10.0226 -10.0226 -9.3087 -9.3074 -9.2648 -9.2627 -9.2063 -9.2062 -9.1528 -9.1520 -4.9254 -4.9253 -4.7638 -4.7638 -2.4330 -2.4327 -2.3894 -2.3886 -2.1051 -2.1027 -2.0143 -2.0112 -1.9004 -1.8990 -1.5488 -1.5469 -1.3425 -1.3422 -1.1147 -1.1137 -0.1599 -0.1551 0.3431 0.3443 0.6388 0.6532 1.0400 1.0400 1.0429 1.0612 1.1498 1.1508 1.6616 1.6727 1.6949 1.6968 1.8657 1.8929 1.9471 1.9751 2.0106 2.0254 2.1231 2.1352 2.1516 2.1569 2.8183 2.8206 5.7862 5.7874 5.8920 5.8926 6.4051 6.4102 6.7618 6.7626 6.8571 6.8608 6.9956 6.9999 k = 0.3393 0.5000-0.0000 ( 8510 PWs) bands (ev): -12.3490 -12.3490 -12.3116 -12.3116 -10.2278 -10.2277 -10.0383 -10.0382 -9.3072 -9.3059 -9.2613 -9.2592 -9.2076 -9.2075 -9.1598 -9.1589 -4.8967 -4.8967 -4.7634 -4.7634 -2.4441 -2.4438 -2.4057 -2.4050 -2.1096 -2.1074 -2.0334 -2.0306 -1.8912 -1.8900 -1.5454 -1.5438 -1.3249 -1.3247 -1.0997 -1.0988 -0.1432 -0.1384 0.2871 0.2883 0.6144 0.6274 1.0359 1.0359 1.0414 1.0545 1.1750 1.1773 1.7061 1.7120 1.7215 1.7279 1.8944 1.9236 1.9560 1.9850 2.0099 2.0252 2.1161 2.1281 2.1414 2.1460 2.8261 2.8285 5.7823 5.7834 5.8689 5.8694 6.3901 6.3947 6.7467 6.7480 6.8381 6.8415 6.9616 6.9656 k = 0.3571 0.5000-0.0000 ( 8510 PWs) bands (ev): -12.3407 -12.3407 -12.3104 -12.3104 -10.2335 -10.2334 -10.0517 -10.0517 -9.3057 -9.3045 -9.2576 -9.2555 -9.2088 -9.2087 -9.1668 -9.1658 -4.8701 -4.8701 -4.7630 -4.7630 -2.4546 -2.4544 -2.4206 -2.4199 -2.1129 -2.1110 -2.0508 -2.0483 -1.8828 -1.8818 -1.5423 -1.5409 -1.3101 -1.3100 -1.0818 -1.0810 -0.1266 -0.1219 0.2319 0.2330 0.5905 0.6022 1.0319 1.0319 1.0380 1.0478 1.1999 1.2036 1.7414 1.7419 1.7550 1.7665 1.9207 1.9507 1.9654 1.9943 2.0097 2.0255 2.1094 2.1216 2.1296 2.1331 2.8345 2.8368 5.7786 5.7796 5.8476 5.8481 6.3748 6.3790 6.7344 6.7362 6.8179 6.8208 6.9310 6.9344 k = 0.3750 0.5000-0.0000 ( 8506 PWs) bands (ev): -12.3331 -12.3331 -12.3093 -12.3093 -10.2398 -10.2397 -10.0629 -10.0629 -9.3043 -9.3032 -9.2537 -9.2515 -9.2099 -9.2099 -9.1737 -9.1727 -4.8459 -4.8458 -4.7627 -4.7627 -2.4643 -2.4641 -2.4340 -2.4334 -2.1153 -2.1136 -2.0664 -2.0642 -1.8752 -1.8743 -1.5396 -1.5383 -1.2981 -1.2981 -1.0614 -1.0607 -0.1104 -0.1059 0.1784 0.1795 0.5677 0.5781 1.0282 1.0283 1.0339 1.0415 1.2238 1.2278 1.7678 1.7693 1.7939 1.8045 1.9440 1.9665 1.9821 2.0031 2.0100 2.0262 2.1022 2.1160 2.1176 2.1185 2.8429 2.8451 5.7752 5.7761 5.8283 5.8288 6.3599 6.3636 6.7247 6.7267 6.7969 6.7991 6.9043 6.9070 k = 0.3929 0.5000-0.0000 ( 8510 PWs) bands (ev): -12.3262 -12.3262 -12.3083 -12.3083 -10.2463 -10.2462 -10.0720 -10.0720 -9.3030 -9.3020 -9.2496 -9.2474 -9.2109 -9.2108 -9.1806 -9.1794 -4.8243 -4.8243 -4.7624 -4.7624 -2.4731 -2.4730 -2.4459 -2.4454 -2.1169 -2.1154 -2.0801 -2.0782 -1.8685 -1.8677 -1.5371 -1.5361 -1.2888 -1.2887 -1.0393 -1.0387 -0.0951 -0.0908 0.1278 0.1287 0.5464 0.5556 1.0248 1.0249 1.0298 1.0357 1.2458 1.2497 1.7937 1.7956 1.8300 1.8384 1.9640 1.9745 1.9998 2.0112 2.0131 2.0273 2.0914 2.1027 2.1091 2.1115 2.8511 2.8532 5.7721 5.7729 5.8113 5.8117 6.3460 6.3491 6.7171 6.7193 6.7759 6.7773 6.8816 6.8835 k = 0.4107 0.5000-0.0000 ( 8516 PWs) bands (ev): -12.3201 -12.3201 -12.3075 -12.3075 -10.2527 -10.2526 -10.0792 -10.0791 -9.3019 -9.3010 -9.2452 -9.2431 -9.2118 -9.2117 -9.1873 -9.1860 -4.8056 -4.8056 -4.7622 -4.7622 -2.4809 -2.4807 -2.4561 -2.4556 -2.1179 -2.1167 -2.0918 -2.0902 -1.8627 -1.8620 -1.5350 -1.5341 -1.2817 -1.2817 -1.0168 -1.0163 -0.0809 -0.0770 0.0811 0.0819 0.5273 0.5352 1.0218 1.0220 1.0259 1.0305 1.2653 1.2687 1.8192 1.8215 1.8613 1.8670 1.9807 1.9816 2.0042 2.0175 2.0252 2.0290 2.0767 2.0866 2.1056 2.1086 2.8587 2.8606 5.7694 5.7701 5.7967 5.7971 6.3334 6.3360 6.7114 6.7135 6.7558 6.7567 6.8627 6.8640 k = 0.4286 0.5000-0.0000 ( 8502 PWs) bands (ev): -12.3150 -12.3150 -12.3068 -12.3068 -10.2586 -10.2586 -10.0846 -10.0846 -9.3009 -9.3002 -9.2406 -9.2385 -9.2125 -9.2124 -9.1938 -9.1925 -4.7900 -4.7900 -4.7620 -4.7620 -2.4874 -2.4873 -2.4645 -2.4641 -2.1185 -2.1175 -2.1014 -2.1001 -1.8578 -1.8573 -1.5333 -1.5326 -1.2766 -1.2764 -0.9952 -0.9947 -0.0683 -0.0649 0.0399 0.0406 0.5108 0.5173 1.0194 1.0195 1.0225 1.0260 1.2819 1.2847 1.8443 1.8470 1.8865 1.8895 1.9893 1.9944 2.0024 2.0202 2.0309 2.0367 2.0618 2.0714 2.1051 2.1075 2.8654 2.8670 5.7670 5.7676 5.7846 5.7850 6.3226 6.3247 6.7073 6.7092 6.7378 6.7382 6.8475 6.8482 k = 0.4464 0.5000-0.0000 ( 8506 PWs) bands (ev): -12.3109 -12.3109 -12.3062 -12.3062 -10.2637 -10.2636 -10.0885 -10.0885 -9.3002 -9.2996 -9.2358 -9.2338 -9.2130 -9.2130 -9.2001 -9.1987 -4.7777 -4.7777 -4.7618 -4.7618 -2.4926 -2.4925 -2.4711 -2.4708 -2.1188 -2.1180 -2.1089 -2.1079 -1.8540 -1.8536 -1.5319 -1.5314 -1.2729 -1.2728 -0.9760 -0.9756 -0.0577 -0.0550 0.0055 0.0061 0.4975 0.5024 1.0175 1.0175 1.0197 1.0223 1.2953 1.2974 1.8687 1.8718 1.9051 1.9060 1.9952 1.9999 2.0034 2.0189 2.0311 2.0418 2.0515 2.0599 2.1066 2.1083 2.8710 2.8722 5.7650 5.7656 5.7752 5.7756 6.3139 6.3155 6.7045 6.7061 6.7228 6.7229 6.8356 6.8360 k = 0.4643 0.5000-0.0000 ( 8490 PWs) bands (ev): -12.3079 -12.3079 -12.3058 -12.3058 -10.2675 -10.2675 -10.0912 -10.0912 -9.2996 -9.2992 -9.2308 -9.2290 -9.2134 -9.2134 -9.2061 -9.2047 -4.7688 -4.7688 -4.7617 -4.7617 -2.4964 -2.4963 -2.4758 -2.4756 -2.1189 -2.1184 -2.1141 -2.1135 -1.8512 -1.8510 -1.5309 -1.5305 -1.2704 -1.2703 -0.9608 -0.9606 -0.0496 -0.0478 -0.0204 -0.0200 0.4878 0.4912 1.0162 1.0163 1.0176 1.0194 1.3052 1.3066 1.8916 1.8951 1.9171 1.9173 1.9868 1.9976 2.0081 2.0211 2.0302 2.0394 2.0483 2.0554 2.1088 2.1100 2.8752 2.8760 5.7634 5.7640 5.7687 5.7691 6.3076 6.3087 6.7028 6.7040 6.7116 6.7116 6.8271 6.8273 k = 0.4821 0.5000-0.0000 ( 8472 PWs) bands (ev): -12.3061 -12.3061 -12.3056 -12.3056 -10.2699 -10.2699 -10.0927 -10.0927 -9.2992 -9.2990 -9.2260 -9.2246 -9.2137 -9.2136 -9.2113 -9.2101 -4.7635 -4.7635 -4.7617 -4.7617 -2.4987 -2.4986 -2.4786 -2.4786 -2.1192 -2.1190 -2.1169 -2.1167 -1.8495 -1.8494 -1.5302 -1.5301 -1.2690 -1.2690 -0.9510 -0.9509 -0.0449 -0.0440 -0.0361 -0.0358 0.4822 0.4839 1.0155 1.0158 1.0162 1.0174 1.3113 1.3120 1.9109 1.9139 1.9244 1.9250 1.9750 1.9821 2.0166 2.0248 2.0300 2.0350 2.0489 2.0535 2.1109 2.1115 2.8779 2.8783 5.7621 5.7625 5.7652 5.7655 6.3038 6.3044 6.7020 6.7026 6.7046 6.7047 6.8220 6.8220 k = 0.5000 0.5000-0.0000 ( 8448 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2707 -10.2707 -10.0932 -10.0932 -9.2989 -9.2989 -9.2227 -9.2227 -9.2137 -9.2137 -9.2135 -9.2135 -4.7617 -4.7617 -4.7616 -4.7616 -2.4994 -2.4994 -2.4796 -2.4796 -2.1195 -2.1195 -2.1175 -2.1175 -1.8489 -1.8489 -1.5299 -1.5299 -1.2685 -1.2685 -0.9476 -0.9476 -0.0445 -0.0445 -0.0398 -0.0398 0.4808 0.4808 1.0155 1.0155 1.0162 1.0162 1.3136 1.3136 1.9196 1.9196 1.9293 1.9293 1.9706 1.9706 2.0228 2.0228 2.0318 2.0318 2.0511 2.0511 2.1119 2.1119 2.8789 2.8789 5.7616 5.7616 5.7644 5.7644 6.3027 6.3027 6.7021 6.7021 6.7021 6.7021 6.8203 6.8203 k = 0.5000 0.5000-0.0000 ( 8448 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2707 -10.2707 -10.0932 -10.0932 -9.2989 -9.2989 -9.2227 -9.2227 -9.2137 -9.2137 -9.2135 -9.2135 -4.7617 -4.7617 -4.7616 -4.7616 -2.4994 -2.4994 -2.4796 -2.4796 -2.1195 -2.1195 -2.1175 -2.1175 -1.8489 -1.8489 -1.5299 -1.5299 -1.2685 -1.2685 -0.9476 -0.9476 -0.0445 -0.0445 -0.0398 -0.0398 0.4808 0.4808 1.0155 1.0155 1.0162 1.0162 1.3136 1.3136 1.9196 1.9196 1.9293 1.9293 1.9706 1.9706 2.0228 2.0228 2.0318 2.0318 2.0511 2.0511 2.1119 2.1119 2.8789 2.8789 5.7616 5.7616 5.7644 5.7644 6.3027 6.3027 6.7021 6.7021 6.7021 6.7021 6.8203 6.8203 k = 0.4875 0.4875-0.0000 ( 8470 PWs) bands (ev): -12.3060 -12.3060 -12.3057 -12.3057 -10.2699 -10.2699 -10.0928 -10.0927 -9.2991 -9.2990 -9.2259 -9.2245 -9.2139 -9.2137 -9.2114 -9.2099 -4.7631 -4.7631 -4.7620 -4.7620 -2.4987 -2.4986 -2.4787 -2.4786 -2.1190 -2.1190 -2.1170 -2.1168 -1.8495 -1.8494 -1.5302 -1.5301 -1.2690 -1.2690 -0.9509 -0.9508 -0.0433 -0.0433 -0.0373 -0.0370 0.4821 0.4838 1.0151 1.0155 1.0163 1.0180 1.3113 1.3120 1.9113 1.9124 1.9255 1.9260 1.9742 1.9819 2.0169 2.0253 2.0292 2.0353 2.0488 2.0536 2.1109 2.1115 2.8779 2.8783 5.7621 5.7624 5.7652 5.7655 6.3038 6.3043 6.7024 6.7034 6.7038 6.7043 6.8219 6.8220 k = 0.4750 0.4750-0.0000 ( 8478 PWs) bands (ev): -12.3074 -12.3074 -12.3063 -12.3063 -10.2675 -10.2675 -10.0913 -10.0913 -9.2995 -9.2992 -9.2304 -9.2288 -9.2142 -9.2138 -9.2059 -9.2042 -4.7673 -4.7672 -4.7632 -4.7632 -2.4964 -2.4964 -2.4759 -2.4757 -2.1175 -2.1174 -2.1153 -2.1149 -1.8512 -1.8509 -1.5308 -1.5305 -1.2704 -1.2703 -0.9607 -0.9605 -0.0431 -0.0425 -0.0263 -0.0261 0.4877 0.4910 1.0135 1.0145 1.0192 1.0222 1.3054 1.3067 1.8904 1.8915 1.9201 1.9241 1.9814 1.9940 2.0123 2.0251 2.0266 2.0394 2.0485 2.0559 2.1087 2.1097 2.8752 2.8760 5.7632 5.7637 5.7685 5.7693 6.3076 6.3086 6.7045 6.7073 6.7080 6.7097 6.8270 6.8271 k = 0.4625 0.4625-0.0000 ( 8498 PWs) bands (ev): -12.3098 -12.3098 -12.3073 -12.3073 -10.2635 -10.2635 -10.0889 -10.0888 -9.3002 -9.2996 -9.2349 -9.2332 -9.2147 -9.2142 -9.1996 -9.1979 -4.7742 -4.7742 -4.7651 -4.7651 -2.4928 -2.4928 -2.4711 -2.4708 -2.1153 -2.1149 -2.1124 -2.1115 -1.8540 -1.8536 -1.5318 -1.5314 -1.2728 -1.2726 -0.9763 -0.9759 -0.0432 -0.0420 -0.0079 -0.0073 0.4972 0.5020 1.0109 1.0126 1.0243 1.0288 1.2959 1.2978 1.8644 1.8660 1.9134 1.9203 1.9816 1.9898 2.0100 2.0232 2.0344 2.0415 2.0556 2.0577 2.1055 2.1067 2.8710 2.8722 5.7644 5.7651 5.7749 5.7760 6.3140 6.3155 6.7083 6.7125 6.7158 6.7183 6.8353 6.8354 k = 0.4500 0.4500-0.0000 ( 8520 PWs) bands (ev): -12.3131 -12.3131 -12.3086 -12.3086 -10.2580 -10.2579 -10.0855 -10.0854 -9.3010 -9.3002 -9.2390 -9.2373 -9.2154 -9.2146 -9.1929 -9.1911 -4.7839 -4.7839 -4.7679 -4.7678 -2.4879 -2.4879 -2.4643 -2.4639 -2.1123 -2.1115 -2.1079 -2.1067 -1.8578 -1.8572 -1.5331 -1.5327 -1.2764 -1.2760 -0.9968 -0.9963 -0.0425 -0.0410 0.0169 0.0178 0.5103 0.5165 1.0075 1.0097 1.0314 1.0373 1.2831 1.2856 1.8361 1.8382 1.9033 1.9127 1.9748 1.9782 2.0014 2.0181 2.0426 2.0509 2.0600 2.0693 2.1018 2.1028 2.8652 2.8666 5.7659 5.7668 5.7837 5.7852 6.3231 6.3250 6.7135 6.7190 6.7268 6.7301 6.8466 6.8469 k = 0.4375 0.4375-0.0000 ( 8514 PWs) bands (ev): -12.3172 -12.3172 -12.3104 -12.3104 -10.2509 -10.2508 -10.0811 -10.0811 -9.3020 -9.3011 -9.2427 -9.2410 -9.2162 -9.2152 -9.1858 -9.1840 -4.7962 -4.7962 -4.7715 -4.7714 -2.4818 -2.4818 -2.4554 -2.4549 -2.1083 -2.1074 -2.1020 -2.1004 -1.8627 -1.8620 -1.5347 -1.5344 -1.2813 -1.2806 -1.0212 -1.0205 -0.0403 -0.0387 0.0469 0.0480 0.5267 0.5340 1.0033 1.0059 1.0403 1.0476 1.2674 1.2705 1.8061 1.8087 1.8888 1.8999 1.9637 1.9643 1.9910 2.0108 2.0431 2.0567 2.0734 2.0854 2.0984 2.0991 2.8578 2.8595 5.7677 5.7688 5.7948 5.7966 6.3349 6.3371 6.7197 6.7264 6.7407 6.7447 6.8609 6.8612 k = 0.4250 0.4250-0.0000 ( 8510 PWs) bands (ev): -12.3223 -12.3222 -12.3125 -12.3124 -10.2424 -10.2423 -10.0759 -10.0758 -9.3034 -9.3023 -9.2459 -9.2443 -9.2170 -9.2159 -9.1784 -9.1766 -4.8111 -4.8110 -4.7759 -4.7758 -2.4747 -2.4747 -2.4445 -2.4438 -2.1035 -2.1024 -2.0946 -2.0926 -1.8686 -1.8677 -1.5366 -1.5364 -1.2877 -1.2867 -1.0486 -1.0478 -0.0359 -0.0343 0.0810 0.0824 0.5457 0.5541 0.9982 1.0013 1.0505 1.0592 1.2493 1.2527 1.7749 1.7779 1.8693 1.8809 1.9487 1.9502 1.9804 2.0020 2.0427 2.0559 2.0892 2.0922 2.0984 2.1058 2.8489 2.8508 5.7697 5.7710 5.8076 5.8097 6.3495 6.3519 6.7265 6.7342 6.7574 6.7620 6.8778 6.8781 k = 0.4125 0.4125-0.0000 ( 8488 PWs) bands (ev): -12.3281 -12.3280 -12.3149 -12.3149 -10.2324 -10.2323 -10.0697 -10.0697 -9.3049 -9.3037 -9.2487 -9.2471 -9.2179 -9.2166 -9.1708 -9.1690 -4.8284 -4.8283 -4.7813 -4.7812 -2.4666 -2.4665 -2.4315 -2.4307 -2.0978 -2.0964 -2.0856 -2.0833 -1.8756 -1.8745 -1.5389 -1.5387 -1.2959 -1.2945 -1.0780 -1.0770 -0.0287 -0.0271 0.1182 0.1198 0.5669 0.5762 0.9924 0.9958 1.0616 1.0716 1.2291 1.2328 1.7425 1.7460 1.8447 1.8560 1.9318 1.9350 1.9694 1.9915 2.0416 2.0535 2.0895 2.0912 2.1134 2.1231 2.8387 2.8407 5.7718 5.7734 5.8219 5.8243 6.3668 6.3694 6.7333 6.7419 6.7763 6.7815 6.8970 6.8974 k = 0.4000 0.4000-0.0000 ( 8492 PWs) bands (ev): -12.3346 -12.3346 -12.3177 -12.3176 -10.2211 -10.2209 -10.0627 -10.0626 -9.3068 -9.3054 -9.2511 -9.2494 -9.2188 -9.2173 -9.1630 -9.1612 -4.8480 -4.8479 -4.7877 -4.7875 -2.4575 -2.4574 -2.4165 -2.4156 -2.0912 -2.0896 -2.0751 -2.0724 -1.8835 -1.8822 -1.5418 -1.5411 -1.3060 -1.3040 -1.1086 -1.1075 -0.0180 -0.0166 0.1576 0.1593 0.5900 0.5999 0.9859 0.9896 1.0730 1.0843 1.2073 1.2112 1.7092 1.7133 1.8156 1.8260 1.9140 1.9187 1.9572 1.9788 2.0398 2.0501 2.0876 2.0909 2.1317 2.1409 2.8271 2.8291 5.7740 5.7758 5.8372 5.8399 6.3869 6.3895 6.7398 6.7490 6.7970 6.8026 6.9181 6.9186 k = 0.3875 0.3875-0.0000 ( 8503 PWs) bands (ev): -12.3419 -12.3418 -12.3207 -12.3207 -10.2084 -10.2083 -10.0548 -10.0547 -9.3089 -9.3074 -9.2529 -9.2513 -9.2196 -9.2180 -9.1551 -9.1533 -4.8698 -4.8697 -4.7951 -4.7949 -2.4475 -2.4474 -2.3996 -2.3987 -2.0836 -2.0819 -2.0629 -2.0600 -1.8924 -1.8908 -1.5450 -1.5438 -1.3181 -1.3155 -1.1398 -1.1385 -0.0033 -0.0022 0.1984 0.2002 0.6144 0.6250 0.9787 0.9825 1.0840 1.0965 1.1845 1.1885 1.6751 1.6798 1.7827 1.7919 1.8957 1.9018 1.9428 1.9634 2.0374 2.0461 2.0869 2.0914 2.1498 2.1585 2.8143 2.8163 5.7761 5.7781 5.8533 5.8561 6.4100 6.4125 6.7455 6.7553 6.8188 6.8248 6.9407 6.9414 k = 0.3750 0.3750-0.0000 ( 8503 PWs) bands (ev): -12.3497 -12.3497 -12.3241 -12.3241 -10.1946 -10.1944 -10.0461 -10.0460 -9.3114 -9.3098 -9.2543 -9.2527 -9.2204 -9.2187 -9.1471 -9.1453 -4.8936 -4.8935 -4.8036 -4.8034 -2.4367 -2.4366 -2.3809 -2.3799 -2.0751 -2.0733 -2.0492 -2.0459 -1.9020 -1.9003 -1.5487 -1.5467 -1.3323 -1.3288 -1.1710 -1.1695 0.0155 0.0164 0.2399 0.2417 0.6400 0.6510 0.9709 0.9748 1.0937 1.1070 1.1614 1.1653 1.6404 1.6459 1.7465 1.7546 1.8774 1.8847 1.9259 1.9452 2.0350 2.0422 2.0874 2.0927 2.1675 2.1759 2.8004 2.8023 5.7778 5.7800 5.8697 5.8726 6.4360 6.4382 6.7505 6.7606 6.8409 6.8471 6.9646 6.9654 k = 0.3625 0.3625-0.0000 ( 8497 PWs) bands (ev): -12.3582 -12.3582 -12.3278 -12.3277 -10.1796 -10.1794 -10.0367 -10.0366 -9.3142 -9.3125 -9.2552 -9.2536 -9.2210 -9.2192 -9.1390 -9.1372 -4.9193 -4.9192 -4.8132 -4.8130 -2.4250 -2.4249 -2.3604 -2.3593 -2.0659 -2.0638 -2.0338 -2.0303 -1.9124 -1.9103 -1.5528 -1.5499 -1.3484 -1.3440 -1.2017 -1.2001 0.0387 0.0393 0.2814 0.2831 0.6663 0.6776 0.9627 0.9664 1.0999 1.1126 1.1413 1.1436 1.6053 1.6118 1.7079 1.7149 1.8595 1.8679 1.9062 1.9242 2.0326 2.0386 2.0884 2.0942 2.1849 2.1929 2.7856 2.7873 5.7791 5.7815 5.8861 5.8892 6.4648 6.4667 6.7546 6.7649 6.8624 6.8687 6.9892 6.9902 k = 0.3500 0.3500-0.0000 ( 8509 PWs) bands (ev): -12.3671 -12.3671 -12.3316 -12.3316 -10.1636 -10.1634 -10.0265 -10.0264 -9.3173 -9.3156 -9.2556 -9.2541 -9.2215 -9.2196 -9.1308 -9.1290 -4.9467 -4.9466 -4.8239 -4.8237 -2.4127 -2.4126 -2.3382 -2.3371 -2.0558 -2.0536 -2.0167 -2.0130 -1.9233 -1.9209 -1.5576 -1.5536 -1.3662 -1.3609 -1.2316 -1.2299 0.0663 0.0665 0.3223 0.3240 0.6933 0.7048 0.9541 0.9574 1.0963 1.1019 1.1295 1.1351 1.5702 1.5778 1.6675 1.6735 1.8423 1.8517 1.8840 1.9009 2.0308 2.0357 2.0895 2.0956 2.2019 2.2097 2.7701 2.7716 5.7796 5.7823 5.9024 5.9054 6.4965 6.4979 6.7581 6.7685 6.8822 6.8885 7.0143 7.0156 k = 0.3375 0.3375-0.0000 ( 8523 PWs) bands (ev): -12.3765 -12.3765 -12.3357 -12.3357 -10.1466 -10.1464 -10.0157 -10.0156 -9.3208 -9.3190 -9.2557 -9.2541 -9.2218 -9.2199 -9.1227 -9.1209 -4.9756 -4.9755 -4.8358 -4.8356 -2.3997 -2.3995 -2.3144 -2.3133 -2.0451 -2.0427 -1.9981 -1.9942 -1.9346 -1.9318 -1.5631 -1.5579 -1.3853 -1.3789 -1.2605 -1.2587 0.0980 0.0982 0.3621 0.3637 0.7206 0.7323 0.9452 0.9478 1.0784 1.0799 1.1270 1.1374 1.5351 1.5441 1.6260 1.6310 1.8262 1.8360 1.8594 1.8755 2.0297 2.0338 2.0902 2.0964 2.2187 2.2263 2.7540 2.7553 5.7793 5.7821 5.9183 5.9213 6.5308 6.5316 6.7611 6.7715 6.8995 6.9055 7.0396 7.0412 k = 0.3250 0.3250-0.0000 ( 8515 PWs) bands (ev): -12.3862 -12.3862 -12.3400 -12.3400 -10.1288 -10.1286 -10.0043 -10.0042 -9.3246 -9.3228 -9.2552 -9.2537 -9.2219 -9.2200 -9.1146 -9.1129 -5.0058 -5.0057 -4.8489 -4.8487 -2.3860 -2.3859 -2.2891 -2.2879 -2.0340 -2.0312 -1.9780 -1.9740 -1.9460 -1.9426 -1.5697 -1.5630 -1.4054 -1.3977 -1.2880 -1.2861 0.1335 0.1340 0.4005 0.4017 0.7481 0.7599 0.9361 0.9377 1.0552 1.0561 1.1270 1.1385 1.5004 1.5111 1.5839 1.5881 1.8110 1.8205 1.8330 1.8491 2.0297 2.0329 2.0902 2.0965 2.2352 2.2426 2.7377 2.7387 5.7777 5.7807 5.9337 5.9367 6.5674 6.5675 6.7641 6.7745 6.9132 6.9188 7.0648 7.0667 k = 0.3125 0.3125-0.0000 ( 8503 PWs) bands (ev): -12.3962 -12.3962 -12.3445 -12.3445 -10.1102 -10.1100 -9.9923 -9.9921 -9.3287 -9.3269 -9.2544 -9.2529 -9.2218 -9.2199 -9.1066 -9.1049 -5.0372 -5.0371 -4.8631 -4.8629 -2.3718 -2.3717 -2.2622 -2.2611 -2.0227 -2.0195 -1.9578 -1.9562 -1.9560 -1.9495 -1.5779 -1.5695 -1.4255 -1.4166 -1.3141 -1.3122 0.1727 0.1736 0.4368 0.4376 0.7757 0.7874 0.9269 0.9271 1.0309 1.0323 1.1253 1.1365 1.4663 1.4788 1.5420 1.5455 1.7943 1.8022 1.8075 1.8247 2.0310 2.0333 2.0891 2.0955 2.2515 2.2587 2.7213 2.7220 5.7749 5.7780 5.9486 5.9515 6.6053 6.6060 6.7673 6.7776 6.9224 6.9274 7.0898 7.0922 k = 0.3000 0.3000-0.0000 ( 8503 PWs) bands (ev): -12.4065 -12.4064 -12.3491 -12.3491 -10.0909 -10.0907 -9.9798 -9.9796 -9.3330 -9.3313 -9.2531 -9.2517 -9.2214 -9.2196 -9.0987 -9.0970 -5.0696 -5.0695 -4.8785 -4.8783 -2.3571 -2.3570 -2.2339 -2.2328 -2.0120 -2.0081 -1.9681 -1.9637 -1.9336 -1.9287 -1.5879 -1.5778 -1.4449 -1.4347 -1.3386 -1.3367 0.2151 0.2163 0.4708 0.4710 0.8031 0.8147 0.9160 0.9177 1.0065 1.0090 1.1206 1.1309 1.4331 1.4477 1.5010 1.5038 1.7682 1.7764 1.7913 1.8074 2.0338 2.0351 2.0867 2.0935 2.2677 2.2748 2.7051 2.7055 5.7706 5.7739 5.9629 5.9658 6.6442 6.6458 6.7711 6.7812 6.9265 6.9308 7.1145 7.1174 k = 0.2875 0.2875-0.0000 ( 8513 PWs) bands (ev): -12.4168 -12.4168 -12.3538 -12.3538 -10.0712 -10.0710 -9.9668 -9.9667 -9.3377 -9.3360 -9.2516 -9.2501 -9.2209 -9.2191 -9.0910 -9.0893 -5.1028 -5.1027 -4.8949 -4.8947 -2.3420 -2.3419 -2.2042 -2.2031 -2.0040 -1.9993 -1.9758 -1.9701 -1.9097 -1.9048 -1.6004 -1.5889 -1.4625 -1.4513 -1.3615 -1.3595 0.2603 0.2617 0.5016 0.5021 0.8301 0.8413 0.9045 0.9087 0.9825 0.9864 1.1128 1.1216 1.4012 1.4179 1.4615 1.4638 1.7363 1.7447 1.7807 1.7955 2.0381 2.0381 2.0831 2.0903 2.2837 2.2907 2.6893 2.6894 5.7648 5.7682 5.9766 5.9794 6.6835 6.6862 6.7754 6.7855 6.9253 6.9286 7.1391 7.1424 k = 0.2750 0.2750-0.0000 ( 8509 PWs) bands (ev): -12.4273 -12.4273 -12.3586 -12.3586 -10.0510 -10.0508 -9.9536 -9.9534 -9.3425 -9.3409 -9.2496 -9.2482 -9.2202 -9.2184 -9.0834 -9.0817 -5.1365 -5.1364 -4.9124 -4.9121 -2.3265 -2.3263 -2.1732 -2.1721 -2.0033 -2.0003 -1.9732 -1.9690 -1.8849 -1.8800 -1.6156 -1.6030 -1.4774 -1.4656 -1.3826 -1.3807 0.3076 0.3093 0.5292 0.5306 0.8558 0.8659 0.8932 0.9009 0.9590 0.9646 1.1020 1.1089 1.3708 1.3895 1.4242 1.4261 1.7022 1.7104 1.7722 1.7860 2.0419 2.0435 2.0785 2.0866 2.2997 2.3065 2.6739 2.6740 5.7575 5.7610 5.9898 5.9925 6.7217 6.7257 6.7806 6.7905 6.9189 6.9211 7.1638 7.1675 k = 0.2625 0.2625-0.0000 ( 8499 PWs) bands (ev): -12.4378 -12.4377 -12.3634 -12.3634 -10.0304 -10.0302 -9.9400 -9.9398 -9.3475 -9.3460 -9.2474 -9.2460 -9.2192 -9.2175 -9.0760 -9.0744 -5.1707 -5.1706 -4.9307 -4.9305 -2.3107 -2.3105 -2.1410 -2.1399 -2.0094 -2.0087 -1.9631 -1.9608 -1.8596 -1.8546 -1.6333 -1.6203 -1.4891 -1.4775 -1.4020 -1.4001 0.3565 0.3585 0.5537 0.5561 0.8712 0.8783 0.8903 0.9041 0.9359 0.9438 1.0886 1.0933 1.3422 1.3628 1.3900 1.3916 1.6665 1.6743 1.7650 1.7778 2.0448 2.0483 2.0745 2.0837 2.3156 2.3223 2.6592 2.6596 5.7488 5.7523 6.0025 6.0052 6.7567 6.7622 6.7864 6.7961 6.9089 6.9097 7.1887 7.1928 k = 0.2500 0.2500-0.0000 ( 8499 PWs) bands (ev): -12.4482 -12.4481 -12.3683 -12.3683 -10.0097 -10.0095 -9.9262 -9.9261 -9.3527 -9.3512 -9.2448 -9.2435 -9.2181 -9.2165 -9.0689 -9.0673 -5.2050 -5.2049 -4.9499 -4.9497 -2.2946 -2.2944 -2.1076 -2.1066 -2.0183 -2.0178 -1.9516 -1.9502 -1.8339 -1.8289 -1.6532 -1.6402 -1.4979 -1.4870 -1.4196 -1.4178 0.4063 0.4085 0.5753 0.5788 0.8620 0.8715 0.9056 0.9126 0.9250 0.9278 1.0732 1.0756 1.3160 1.3381 1.3595 1.3610 1.6297 1.6369 1.7588 1.7705 2.0440 2.0477 2.0758 2.0845 2.3315 2.3380 2.6454 2.6461 5.7388 5.7423 6.0148 6.0173 6.7833 6.7909 6.7929 6.8020 6.8983 6.8990 7.2143 7.2188 k = 0.2375 0.2375-0.0000 ( 8493 PWs) bands (ev): -12.4585 -12.4584 -12.3731 -12.3731 -9.9889 -9.9887 -9.9123 -9.9121 -9.3580 -9.3566 -9.2420 -9.2407 -9.2169 -9.2153 -9.0620 -9.0604 -5.2393 -5.2392 -4.9697 -4.9695 -2.2783 -2.2780 -2.0732 -2.0723 -2.0278 -2.0267 -1.9404 -1.9394 -1.8083 -1.8033 -1.6743 -1.6616 -1.5044 -1.4945 -1.4353 -1.4337 0.4562 0.4587 0.5941 0.5989 0.8485 0.8600 0.8900 0.8943 0.9402 0.9471 1.0566 1.0566 1.2926 1.3157 1.3332 1.3346 1.5919 1.5986 1.7533 1.7639 2.0376 2.0398 2.0840 2.0906 2.3473 2.3537 2.6328 2.6338 5.7277 5.7312 6.0266 6.0291 6.7932 6.7990 6.8015 6.8078 6.8966 6.8977 7.2410 7.2458 k = 0.2250 0.2250-0.0000 ( 8523 PWs) bands (ev): -12.4686 -12.4686 -12.3779 -12.3779 -9.9682 -9.9680 -9.8983 -9.8982 -9.3633 -9.3620 -9.2391 -9.2378 -9.2155 -9.2140 -9.0554 -9.0539 -5.2735 -5.2734 -4.9901 -4.9899 -2.2618 -2.2615 -2.0394 -2.0380 -2.0352 -2.0346 -1.9303 -1.9294 -1.7831 -1.7783 -1.6956 -1.6834 -1.5090 -1.5003 -1.4490 -1.4477 0.5056 0.5083 0.6107 0.6169 0.8344 0.8466 0.8670 0.8716 0.9606 0.9665 1.0377 1.0405 1.2728 1.2962 1.3114 1.3128 1.5534 1.5597 1.7485 1.7580 2.0267 2.0278 2.0959 2.1007 2.3631 2.3693 2.6214 2.6225 5.7157 5.7192 6.0380 6.0404 6.7813 6.7875 6.8041 6.8134 6.9095 6.9100 7.2693 7.2743 k = 0.2125 0.2125-0.0000 ( 8529 PWs) bands (ev): -12.4785 -12.4785 -12.3827 -12.3826 -9.9476 -9.9474 -9.8844 -9.8842 -9.3686 -9.3674 -9.2359 -9.2346 -9.2140 -9.2126 -9.0491 -9.0476 -5.3072 -5.3071 -5.0108 -5.0106 -2.2453 -2.2450 -2.0457 -2.0434 -2.0019 -2.0008 -1.9219 -1.9211 -1.7587 -1.7542 -1.7157 -1.7043 -1.5124 -1.5048 -1.4608 -1.4598 0.5535 0.5563 0.6259 0.6332 0.8203 0.8302 0.8453 0.8462 0.9761 0.9783 1.0223 1.0288 1.2576 1.2806 1.2940 1.2953 1.5145 1.5204 1.7442 1.7526 2.0129 2.0134 2.1095 2.1132 2.3789 2.3849 2.6112 2.6125 5.7031 5.7065 6.0490 6.0513 6.7534 6.7581 6.8093 6.8183 6.9266 6.9287 7.2996 7.3047 k = 0.2000 0.2000-0.0000 ( 8529 PWs) bands (ev): -12.4881 -12.4881 -12.3873 -12.3873 -9.9273 -9.9271 -9.8706 -9.8704 -9.3740 -9.3728 -9.2326 -9.2314 -9.2125 -9.2111 -9.0431 -9.0416 -5.3403 -5.3402 -5.0317 -5.0315 -2.2288 -2.2284 -2.0534 -2.0508 -1.9653 -1.9646 -1.9160 -1.9155 -1.7374 -1.7356 -1.7279 -1.7230 -1.5149 -1.5084 -1.4704 -1.4698 0.5990 0.6009 0.6408 0.6485 0.8060 0.8078 0.8192 0.8281 0.9758 0.9767 1.0192 1.0276 1.2482 1.2698 1.2805 1.2815 1.4756 1.4811 1.7406 1.7478 1.9971 1.9974 2.1242 2.1271 2.3946 2.4004 2.6022 2.6036 5.6901 5.6935 6.0597 6.0618 6.7172 6.7209 6.8137 6.8224 6.9418 6.9448 7.3321 7.3372 k = 0.1875 0.1875-0.0000 ( 8517 PWs) bands (ev): -12.4974 -12.4974 -12.3918 -12.3918 -9.9075 -9.9073 -9.8570 -9.8568 -9.3792 -9.3782 -9.2292 -9.2280 -9.2109 -9.2096 -9.0374 -9.0360 -5.3727 -5.3726 -5.0526 -5.0524 -2.2124 -2.2120 -2.0604 -2.0576 -1.9298 -1.9287 -1.9133 -1.9117 -1.7496 -1.7383 -1.7143 -1.7094 -1.5167 -1.5111 -1.4778 -1.4776 0.6368 0.6406 0.6607 0.6639 0.7812 0.7858 0.7970 0.8145 0.9631 0.9637 1.0267 1.0321 1.2453 1.2648 1.2705 1.2706 1.4371 1.4423 1.7377 1.7439 1.9800 1.9801 2.1393 2.1417 2.4101 2.4157 2.5944 2.5958 5.6770 5.6802 6.0699 6.0719 6.6761 6.6792 6.8172 6.8255 6.9520 6.9556 7.3671 7.3721 k = 0.1750 0.1750-0.0000 ( 8525 PWs) bands (ev): -12.5063 -12.5063 -12.3962 -12.3961 -9.8881 -9.8880 -9.8436 -9.8434 -9.3844 -9.3834 -9.2258 -9.2246 -9.2092 -9.2080 -9.0321 -9.0307 -5.4040 -5.4039 -5.0733 -5.0731 -2.1963 -2.1958 -2.0666 -2.0636 -1.9192 -1.9174 -1.8902 -1.8873 -1.7593 -1.7492 -1.6952 -1.6911 -1.5181 -1.5130 -1.4829 -1.4827 0.6558 0.6724 0.6844 0.6922 0.7530 0.7561 0.7844 0.8029 0.9482 0.9485 1.0330 1.0344 1.2468 1.2601 1.2650 1.2677 1.3997 1.4046 1.7357 1.7409 1.9620 1.9620 2.1546 2.1565 2.4254 2.4308 2.5877 2.5892 5.6640 5.6670 6.0796 6.0815 6.6318 6.6344 6.8198 6.8276 6.9566 6.9603 7.4046 7.4095 k = 0.1625 0.1625-0.0000 ( 8521 PWs) bands (ev): -12.5148 -12.5148 -12.4003 -12.4003 -9.8695 -9.8693 -9.8307 -9.8305 -9.3894 -9.3885 -9.2223 -9.2212 -9.2075 -9.2065 -9.0271 -9.0258 -5.4342 -5.4341 -5.0937 -5.0935 -2.1804 -2.1799 -2.0721 -2.0688 -1.9251 -1.9249 -1.8532 -1.8510 -1.7643 -1.7553 -1.6791 -1.6758 -1.5191 -1.5142 -1.4856 -1.4851 0.6666 0.6904 0.7112 0.7222 0.7262 0.7280 0.7747 0.7934 0.9351 0.9356 1.0326 1.0350 1.2430 1.2499 1.2712 1.2766 1.3641 1.3689 1.7349 1.7391 1.9436 1.9437 2.1697 2.1713 2.4405 2.4456 2.5820 2.5835 5.6512 5.6541 6.0889 6.0907 6.5854 6.5878 6.8215 6.8288 6.9557 6.9594 7.4445 7.4491 k = 0.1500 0.1500-0.0000 ( 8501 PWs) bands (ev): -12.5228 -12.5228 -12.4043 -12.4043 -9.8516 -9.8514 -9.8183 -9.8181 -9.3942 -9.3934 -9.2189 -9.2179 -9.2059 -9.2049 -9.0225 -9.0213 -5.4630 -5.4630 -5.1134 -5.1133 -2.1650 -2.1644 -2.0769 -2.0733 -1.9364 -1.9356 -1.8163 -1.8143 -1.7650 -1.7574 -1.6660 -1.6638 -1.5198 -1.5149 -1.4855 -1.4848 0.6662 0.6906 0.7073 0.7085 0.7355 0.7498 0.7689 0.7865 0.9264 0.9275 1.0272 1.0326 1.2318 1.2368 1.2875 1.2913 1.3319 1.3364 1.7353 1.7387 1.9253 1.9254 2.1845 2.1858 2.4552 2.4599 2.5772 2.5787 5.6389 5.6416 6.0976 6.0992 6.5382 6.5404 6.8226 6.8293 6.9503 6.9538 7.4864 7.4905 k = 0.1375 0.1375-0.0000 ( 8507 PWs) bands (ev): -12.5304 -12.5303 -12.4080 -12.4080 -9.8346 -9.8344 -9.8064 -9.8062 -9.3988 -9.3981 -9.2155 -9.2145 -9.2042 -9.2033 -9.0182 -9.0171 -5.4903 -5.4903 -5.1325 -5.1323 -2.1501 -2.1495 -2.0809 -2.0771 -1.9506 -1.9488 -1.7799 -1.7781 -1.7628 -1.7563 -1.6563 -1.6553 -1.5203 -1.5153 -1.4830 -1.4818 0.6464 0.6590 0.7101 0.7243 0.7428 0.7655 0.7699 0.7836 0.9243 0.9261 1.0196 1.0270 1.2148 1.2188 1.3044 1.3064 1.3097 1.3098 1.7373 1.7399 1.9076 1.9078 2.1986 2.1997 2.4695 2.4738 2.5733 2.5747 5.6272 5.6297 6.1057 6.1071 6.4909 6.4930 6.8232 6.8294 6.9412 6.9444 7.5151 7.5206 k = 0.1250 0.1250-0.0000 ( 8505 PWs) bands (ev): -12.5373 -12.5373 -12.4115 -12.4115 -9.8186 -9.8185 -9.7952 -9.7950 -9.4031 -9.4026 -9.2122 -9.2114 -9.2027 -9.2018 -9.0144 -9.0133 -5.5159 -5.5158 -5.1505 -5.1504 -2.1359 -2.1353 -2.0843 -2.0803 -1.9659 -1.9634 -1.7588 -1.7534 -1.7444 -1.7426 -1.6499 -1.6495 -1.5206 -1.5157 -1.4783 -1.4766 0.6191 0.6278 0.7179 0.7389 0.7441 0.7729 0.7732 0.7839 0.9300 0.9320 1.0109 1.0195 1.1922 1.1952 1.2821 1.2850 1.3295 1.3298 1.7410 1.7428 1.8909 1.8912 2.2119 2.2129 2.4831 2.4871 2.5701 2.5715 5.6162 5.6185 6.1130 6.1142 6.4445 6.4466 6.8236 6.8292 6.9296 6.9325 7.5082 7.5146 k = 0.1125 0.1125-0.0000 ( 8511 PWs) bands (ev): -12.5437 -12.5437 -12.4148 -12.4147 -9.8038 -9.8037 -9.7847 -9.7845 -9.4072 -9.4067 -9.2091 -9.2083 -9.2012 -9.2004 -9.0108 -9.0099 -5.5396 -5.5395 -5.1675 -5.1673 -2.1225 -2.1218 -2.0871 -2.0829 -1.9815 -1.9783 -1.7539 -1.7493 -1.7101 -1.7089 -1.6469 -1.6451 -1.5208 -1.5161 -1.4723 -1.4699 0.5911 0.5978 0.7242 0.7369 0.7574 0.7757 0.7772 0.7872 0.9418 0.9434 1.0022 1.0111 1.1655 1.1676 1.2628 1.2650 1.3498 1.3505 1.7464 1.7477 1.8757 1.8760 2.2243 2.2251 2.4961 2.4997 2.5675 2.5688 5.6061 5.6082 6.1195 6.1204 6.3999 6.4019 6.8240 6.8291 6.9163 6.9190 7.4916 7.4978 k = 0.1000 0.1000-0.0000 ( 8513 PWs) bands (ev): -12.5496 -12.5495 -12.4177 -12.4177 -9.7902 -9.7901 -9.7751 -9.7749 -9.4109 -9.4105 -9.2062 -9.2055 -9.1998 -9.1991 -9.0077 -9.0068 -5.5612 -5.5612 -5.1831 -5.1830 -2.1101 -2.1094 -2.0893 -2.0849 -1.9966 -1.9928 -1.7487 -1.7449 -1.6779 -1.6774 -1.6458 -1.6414 -1.5209 -1.5165 -1.4656 -1.4626 0.5642 0.5695 0.7275 0.7342 0.7582 0.7711 0.7931 0.8002 0.9565 0.9575 0.9939 1.0027 1.1370 1.1382 1.2443 1.2458 1.3685 1.3698 1.7535 1.7543 1.8623 1.8626 2.2357 2.2364 2.5081 2.5114 2.5655 2.5666 5.5968 5.5987 6.1249 6.1256 6.3580 6.3599 6.8246 6.8291 6.9024 6.9048 7.4685 7.4742 k = 0.0875 0.0875-0.0000 ( 8511 PWs) bands (ev): -12.5547 -12.5547 -12.4203 -12.4203 -9.7780 -9.7779 -9.7663 -9.7662 -9.4143 -9.4140 -9.2036 -9.2029 -9.1985 -9.1979 -9.0049 -9.0042 -5.5807 -5.5807 -5.1973 -5.1972 -2.0991 -2.0980 -2.0906 -2.0865 -2.0106 -2.0065 -1.7437 -1.7405 -1.6552 -1.6479 -1.6444 -1.6326 -1.5208 -1.5170 -1.4592 -1.4556 0.5390 0.5433 0.7287 0.7327 0.7521 0.7636 0.8159 0.8191 0.9711 0.9718 0.9872 0.9951 1.1086 1.1091 1.2248 1.2257 1.3850 1.3866 1.7619 1.7623 1.8509 1.8513 2.2460 2.2465 2.5192 2.5221 2.5639 2.5649 5.5885 5.5901 6.1291 6.1295 6.3196 6.3215 6.8254 6.8294 6.8884 6.8906 7.4422 7.4473 k = 0.0750 0.0750-0.0000 ( 8511 PWs) bands (ev): -12.5593 -12.5593 -12.4226 -12.4226 -9.7672 -9.7671 -9.7586 -9.7584 -9.4173 -9.4170 -9.2012 -9.2006 -9.1974 -9.1968 -9.0025 -9.0019 -5.5979 -5.5979 -5.2100 -5.2099 -2.0937 -2.0878 -2.0877 -2.0872 -2.0233 -2.0189 -1.7390 -1.7364 -1.6491 -1.6469 -1.6176 -1.6105 -1.5207 -1.5174 -1.4535 -1.4496 0.5162 0.5197 0.7291 0.7323 0.7446 0.7559 0.8414 0.8416 0.9763 0.9815 0.9900 0.9919 1.0815 1.0817 1.2035 1.2039 1.3989 1.4006 1.7710 1.7710 1.8417 1.8422 2.2550 2.2554 2.5292 2.5317 2.5627 2.5636 5.5812 5.5826 6.1318 6.1319 6.2857 6.2877 6.8265 6.8299 6.8751 6.8770 7.4154 7.4199 k = 0.0625 0.0625-0.0000 ( 8513 PWs) bands (ev): -12.5632 -12.5631 -12.4246 -12.4246 -9.7579 -9.7578 -9.7519 -9.7518 -9.4199 -9.4197 -9.1991 -9.1986 -9.1963 -9.1959 -9.0005 -8.9999 -5.6126 -5.6126 -5.2209 -5.2208 -2.0940 -2.0887 -2.0789 -2.0789 -2.0342 -2.0298 -1.7349 -1.7329 -1.6485 -1.6479 -1.5916 -1.5860 -1.5206 -1.5178 -1.4490 -1.4449 0.4963 0.4990 0.7286 0.7327 0.7377 0.7496 0.8662 0.8684 0.9719 0.9784 1.0007 1.0020 1.0565 1.0576 1.1800 1.1801 1.4101 1.4117 1.7795 1.7797 1.8351 1.8356 2.2627 2.2630 2.5379 2.5399 2.5619 2.5627 5.5749 5.5761 6.1324 6.1326 6.2574 6.2593 6.8278 6.8307 6.8630 6.8646 7.3904 7.3941 k = 0.0500 0.0500-0.0000 ( 8515 PWs) bands (ev): -12.5663 -12.5663 -12.4262 -12.4262 -9.7502 -9.7501 -9.7463 -9.7462 -9.4221 -9.4219 -9.1973 -9.1969 -9.1955 -9.1951 -8.9989 -8.9984 -5.6248 -5.6248 -5.2299 -5.2299 -2.0944 -2.0896 -2.0716 -2.0715 -2.0432 -2.0390 -1.7315 -1.7299 -1.6491 -1.6491 -1.5686 -1.5638 -1.5204 -1.5181 -1.4459 -1.4418 0.4794 0.4815 0.7268 0.7298 0.7359 0.7459 0.8919 0.8962 0.9676 0.9733 1.0097 1.0128 1.0358 1.0374 1.1542 1.1549 1.4187 1.4201 1.7868 1.7872 1.8311 1.8316 2.2691 2.2693 2.5451 2.5467 2.5615 2.5621 5.5698 5.5707 6.1309 6.1313 6.2354 6.2371 6.8292 6.8315 6.8526 6.8539 7.3685 7.3715 k = 0.0375 0.0375-0.0000 ( 8513 PWs) bands (ev): -12.5688 -12.5688 -12.4275 -12.4275 -9.7441 -9.7440 -9.7419 -9.7418 -9.4238 -9.4236 -9.1959 -9.1955 -9.1948 -9.1945 -8.9975 -8.9972 -5.6344 -5.6344 -5.2371 -5.2370 -2.0946 -2.0904 -2.0657 -2.0657 -2.0501 -2.0465 -1.7287 -1.7276 -1.6502 -1.6499 -1.5492 -1.5450 -1.5202 -1.5184 -1.4442 -1.4405 0.4660 0.4676 0.7238 0.7248 0.7381 0.7447 0.9171 0.9237 0.9645 0.9691 1.0108 1.0186 1.0258 1.0258 1.1267 1.1283 1.4249 1.4260 1.7919 1.7923 1.8297 1.8302 2.2741 2.2743 2.5506 2.5518 2.5615 2.5619 5.5658 5.5665 6.1277 6.1280 6.2199 6.2213 6.8305 6.8322 6.8442 6.8452 7.3507 7.3530 k = 0.0250 0.0250-0.0000 ( 8525 PWs) bands (ev): -12.5706 -12.5706 -12.4284 -12.4284 -9.7397 -9.7397 -9.7387 -9.7387 -9.4250 -9.4249 -9.1949 -9.1946 -9.1943 -9.1941 -8.9966 -8.9964 -5.6413 -5.6413 -5.2422 -5.2422 -2.0944 -2.0913 -2.0615 -2.0613 -2.0547 -2.0521 -1.7267 -1.7260 -1.6510 -1.6507 -1.5340 -1.5307 -1.5199 -1.5187 -1.4435 -1.4405 0.4563 0.4574 0.7208 0.7210 0.7406 0.7447 0.9387 0.9468 0.9630 0.9666 1.0049 1.0136 1.0285 1.0309 1.0981 1.1010 1.4292 1.4300 1.7948 1.7951 1.8304 1.8307 2.2778 2.2778 2.5542 2.5550 2.5619 2.5623 5.5629 5.5634 6.1237 6.1239 6.2104 6.2114 6.8316 6.8327 6.8381 6.8388 7.3377 7.3393 k = 0.0125 0.0125-0.0000 ( 8529 PWs) bands (ev): -12.5717 -12.5717 -12.4290 -12.4290 -9.7371 -9.7371 -9.7368 -9.7368 -9.4257 -9.4257 -9.1942 -9.1941 -9.1939 -9.1938 -8.9960 -8.9959 -5.6455 -5.6455 -5.2454 -5.2453 -2.0939 -2.0922 -2.0593 -2.0587 -2.0569 -2.0559 -1.7255 -1.7251 -1.6514 -1.6513 -1.5238 -1.5219 -1.5197 -1.5190 -1.4432 -1.4415 0.4506 0.4511 0.7187 0.7187 0.7428 0.7448 0.9517 0.9567 0.9637 0.9667 1.0111 1.0165 1.0322 1.0377 1.0697 1.0746 1.4317 1.4321 1.7960 1.7961 1.8316 1.8318 2.2799 2.2800 2.5560 2.5564 2.5627 2.5629 5.5613 5.5615 6.1204 6.1206 6.2055 6.2060 6.8322 6.8327 6.8346 6.8351 7.3299 7.3307 k = 0.0000 0.0000 0.0000 ( 8535 PWs) bands (ev): -12.5721 -12.5721 -12.4292 -12.4292 -9.7363 -9.7363 -9.7361 -9.7361 -9.4259 -9.4259 -9.1940 -9.1940 -9.1937 -9.1937 -8.9958 -8.9958 -5.6469 -5.6469 -5.2464 -5.2464 -2.0931 -2.0931 -2.0583 -2.0583 -2.0572 -2.0572 -1.7249 -1.7249 -1.6515 -1.6515 -1.5198 -1.5198 -1.5191 -1.5191 -1.4426 -1.4426 0.4488 0.4488 0.7179 0.7179 0.7442 0.7442 0.9563 0.9563 0.9657 0.9657 1.0212 1.0212 1.0414 1.0414 1.0537 1.0537 1.4327 1.4327 1.7963 1.7963 1.8323 1.8323 2.2807 2.2807 2.5566 2.5566 2.5632 2.5632 5.5608 5.5608 6.1192 6.1192 6.2042 6.2042 6.8322 6.8322 6.8340 6.8340 7.3276 7.3276 k = 0.0000 0.0000 0.0000 ( 8535 PWs) bands (ev): -12.5721 -12.5721 -12.4292 -12.4292 -9.7363 -9.7363 -9.7361 -9.7361 -9.4259 -9.4259 -9.1940 -9.1940 -9.1937 -9.1937 -8.9958 -8.9958 -5.6469 -5.6469 -5.2464 -5.2464 -2.0931 -2.0931 -2.0583 -2.0583 -2.0572 -2.0572 -1.7249 -1.7249 -1.6515 -1.6515 -1.5198 -1.5198 -1.5191 -1.5191 -1.4426 -1.4426 0.4488 0.4488 0.7179 0.7179 0.7442 0.7442 0.9563 0.9563 0.9657 0.9657 1.0212 1.0212 1.0414 1.0414 1.0537 1.0537 1.4327 1.4327 1.7963 1.7963 1.8323 1.8323 2.2807 2.2807 2.5566 2.5566 2.5632 2.5632 5.5608 5.5608 6.1192 6.1192 6.2042 6.2042 6.8322 6.8322 6.8340 6.8340 7.3276 7.3276 k = 0.0000 0.0000 0.0170 ( 8527 PWs) bands (ev): -12.5718 -12.5718 -12.4295 -12.4295 -9.7363 -9.7363 -9.7360 -9.7360 -9.4252 -9.4252 -9.1940 -9.1940 -9.1937 -9.1937 -8.9966 -8.9966 -5.6460 -5.6460 -5.2471 -5.2471 -2.0925 -2.0925 -2.0579 -2.0579 -2.0568 -2.0568 -1.7245 -1.7245 -1.6526 -1.6526 -1.5204 -1.5204 -1.5197 -1.5197 -1.4433 -1.4433 0.4489 0.4489 0.7171 0.7171 0.7460 0.7460 0.9561 0.9561 0.9654 0.9654 1.0219 1.0219 1.0423 1.0423 1.0556 1.0556 1.4319 1.4319 1.7963 1.7963 1.8321 1.8321 2.2779 2.2779 2.5563 2.5563 2.5628 2.5628 5.5622 5.5622 6.1082 6.1082 6.2181 6.2181 6.8346 6.8346 6.8364 6.8364 7.3293 7.3293 k = 0.0000 0.0000 0.0341 ( 8519 PWs) bands (ev): -12.5711 -12.5711 -12.4303 -12.4303 -9.7363 -9.7363 -9.7360 -9.7360 -9.4228 -9.4228 -9.1941 -9.1941 -9.1938 -9.1938 -8.9993 -8.9993 -5.6435 -5.6435 -5.2492 -5.2492 -2.0905 -2.0905 -2.0565 -2.0565 -2.0555 -2.0555 -1.7233 -1.7233 -1.6558 -1.6558 -1.5221 -1.5221 -1.5214 -1.5214 -1.4451 -1.4451 0.4495 0.4495 0.7145 0.7145 0.7513 0.7513 0.9556 0.9556 0.9645 0.9645 1.0238 1.0238 1.0445 1.0445 1.0614 1.0614 1.4295 1.4295 1.7960 1.7960 1.8315 1.8315 2.2697 2.2697 2.5552 2.5552 2.5616 2.5616 5.5663 5.5663 6.0859 6.0859 6.2490 6.2490 6.8416 6.8416 6.8435 6.8435 7.3344 7.3344 k = 0.0000 0.0000 0.0511 ( 8511 PWs) bands (ev): -12.5698 -12.5698 -12.4318 -12.4318 -9.7363 -9.7363 -9.7360 -9.7360 -9.4189 -9.4189 -9.1941 -9.1941 -9.1938 -9.1938 -9.0036 -9.0036 -5.6394 -5.6394 -5.2527 -5.2527 -2.0873 -2.0873 -2.0544 -2.0544 -2.0533 -2.0533 -1.7212 -1.7212 -1.6611 -1.6611 -1.5249 -1.5249 -1.5242 -1.5242 -1.4482 -1.4482 0.4503 0.4503 0.7101 0.7101 0.7601 0.7601 0.9549 0.9549 0.9632 0.9632 1.0269 1.0269 1.0476 1.0476 1.0714 1.0714 1.4256 1.4256 1.7955 1.7955 1.8305 1.8305 2.2560 2.2560 2.5533 2.5533 2.5596 2.5596 5.5731 5.5731 6.0621 6.0621 6.2870 6.2870 6.8533 6.8533 6.8553 6.8553 7.3429 7.3429 k = 0.0000 0.0000 0.0682 ( 8503 PWs) bands (ev): -12.5681 -12.5681 -12.4338 -12.4338 -9.7362 -9.7362 -9.7359 -9.7359 -9.4135 -9.4135 -9.1942 -9.1942 -9.1939 -9.1939 -9.0096 -9.0096 -5.6336 -5.6336 -5.2575 -5.2575 -2.0828 -2.0828 -2.0514 -2.0514 -2.0503 -2.0503 -1.7185 -1.7185 -1.6682 -1.6682 -1.5288 -1.5288 -1.5280 -1.5280 -1.4525 -1.4525 0.4516 0.4516 0.7040 0.7040 0.7724 0.7724 0.9541 0.9541 0.9618 0.9618 1.0309 1.0309 1.0513 1.0513 1.0856 1.0856 1.4199 1.4199 1.7950 1.7950 1.8293 1.8293 2.2372 2.2372 2.5509 2.5509 2.5570 2.5570 5.5825 5.5825 6.0394 6.0394 6.3289 6.3289 6.8696 6.8696 6.8716 6.8716 7.3546 7.3546 k = 0.0000 0.0000 0.0852 ( 8503 PWs) bands (ev): -12.5659 -12.5659 -12.4364 -12.4364 -9.7361 -9.7361 -9.7359 -9.7359 -9.4067 -9.4067 -9.1943 -9.1943 -9.1940 -9.1940 -9.0171 -9.0171 -5.6263 -5.6263 -5.2636 -5.2636 -2.0770 -2.0770 -2.0476 -2.0476 -2.0466 -2.0466 -1.7155 -1.7155 -1.6768 -1.6768 -1.5337 -1.5337 -1.5329 -1.5329 -1.4580 -1.4580 0.4532 0.4532 0.6963 0.6963 0.7879 0.7879 0.9534 0.9534 0.9603 0.9603 1.0355 1.0355 1.0554 1.0554 1.1038 1.1038 1.4126 1.4126 1.7943 1.7943 1.8278 1.8278 2.2134 2.2134 2.5478 2.5478 2.5537 2.5537 5.5943 5.5943 6.0188 6.0188 6.3737 6.3737 6.8903 6.8903 6.8924 6.8924 7.3693 7.3693 k = 0.0000 0.0000 0.1023 ( 8499 PWs) bands (ev): -12.5632 -12.5632 -12.4395 -12.4395 -9.7361 -9.7361 -9.7358 -9.7358 -9.3983 -9.3983 -9.1943 -9.1943 -9.1941 -9.1941 -9.0263 -9.0263 -5.6176 -5.6176 -5.2711 -5.2711 -2.0700 -2.0700 -2.0431 -2.0431 -2.0422 -2.0422 -1.7130 -1.7130 -1.6857 -1.6857 -1.5394 -1.5394 -1.5385 -1.5385 -1.4645 -1.4645 0.4554 0.4554 0.6871 0.6871 0.8064 0.8064 0.9530 0.9530 0.9591 0.9591 1.0404 1.0404 1.0597 1.0597 1.1258 1.1258 1.4035 1.4035 1.7937 1.7937 1.8260 1.8260 2.1850 2.1850 2.5443 2.5443 2.5498 2.5498 5.6084 5.6084 6.0004 6.0004 6.4206 6.4206 6.9152 6.9152 6.9174 6.9174 7.3870 7.3870 k = 0.0000 0.0000 0.1193 ( 8483 PWs) bands (ev): -12.5601 -12.5601 -12.4431 -12.4431 -9.7360 -9.7360 -9.7358 -9.7358 -9.3887 -9.3887 -9.1945 -9.1945 -9.1942 -9.1942 -9.0369 -9.0369 -5.6074 -5.6074 -5.2798 -5.2798 -2.0617 -2.0617 -2.0381 -2.0381 -2.0372 -2.0372 -1.7146 -1.7146 -1.6913 -1.6913 -1.5458 -1.5458 -1.5449 -1.5449 -1.4720 -1.4720 0.4581 0.4581 0.6768 0.6768 0.8275 0.8275 0.9528 0.9528 0.9582 0.9582 1.0456 1.0456 1.0640 1.0640 1.1515 1.1515 1.3926 1.3926 1.7931 1.7931 1.8241 1.8241 2.1523 2.1523 2.5403 2.5403 2.5455 2.5455 5.6245 5.6245 5.9842 5.9842 6.4692 6.4692 6.9441 6.9441 6.9465 6.9465 7.4075 7.4075 k = 0.0000 0.0000 0.1364 ( 8467 PWs) bands (ev): -12.5565 -12.5565 -12.4472 -12.4472 -9.7359 -9.7359 -9.7357 -9.7357 -9.3777 -9.3777 -9.1946 -9.1946 -9.1943 -9.1943 -9.0488 -9.0488 -5.5959 -5.5959 -5.2897 -5.2897 -2.0523 -2.0523 -2.0326 -2.0326 -2.0317 -2.0317 -1.7239 -1.7239 -1.6899 -1.6899 -1.5528 -1.5528 -1.5519 -1.5519 -1.4804 -1.4804 0.4614 0.4614 0.6654 0.6654 0.8509 0.8509 0.9530 0.9530 0.9575 0.9575 1.0508 1.0508 1.0682 1.0682 1.1807 1.1807 1.3799 1.3799 1.7925 1.7925 1.8221 1.8221 2.1157 2.1157 2.5361 2.5361 2.5409 2.5409 5.6424 5.6424 5.9698 5.9698 6.5190 6.5190 6.9768 6.9768 6.9794 6.9794 7.4304 7.4304 k = 0.0000 0.0000 0.1534 ( 8471 PWs) bands (ev): -12.5525 -12.5525 -12.4516 -12.4516 -9.7358 -9.7358 -9.7356 -9.7356 -9.3655 -9.3655 -9.1947 -9.1947 -9.1944 -9.1944 -9.0620 -9.0620 -5.5833 -5.5833 -5.3007 -5.3007 -2.0418 -2.0418 -2.0267 -2.0267 -2.0259 -2.0259 -1.7378 -1.7378 -1.6844 -1.6844 -1.5602 -1.5602 -1.5592 -1.5592 -1.4896 -1.4896 0.4654 0.4654 0.6532 0.6532 0.8762 0.8762 0.9536 0.9536 0.9573 0.9573 1.0559 1.0559 1.0721 1.0721 1.2132 1.2132 1.3653 1.3653 1.7920 1.7920 1.8201 1.8201 2.0757 2.0757 2.5317 2.5317 2.5361 2.5361 5.6618 5.6618 5.9570 5.9570 6.5698 6.5698 7.0130 7.0130 7.0158 7.0158 7.4553 7.4553 k = 0.0000 0.0000 0.1704 ( 8467 PWs) bands (ev): -12.5482 -12.5482 -12.4565 -12.4565 -9.7357 -9.7357 -9.7355 -9.7355 -9.3521 -9.3521 -9.1948 -9.1948 -9.1946 -9.1946 -9.0764 -9.0764 -5.5696 -5.5696 -5.3128 -5.3128 -2.0303 -2.0303 -2.0205 -2.0205 -2.0200 -2.0200 -1.7537 -1.7537 -1.6772 -1.6772 -1.5677 -1.5677 -1.5667 -1.5667 -1.4996 -1.4996 0.4701 0.4701 0.6404 0.6404 0.9026 0.9026 0.9548 0.9548 0.9577 0.9577 1.0607 1.0607 1.0756 1.0756 1.2487 1.2487 1.3489 1.3489 1.7916 1.7916 1.8180 1.8180 2.0326 2.0326 2.5273 2.5273 2.5312 2.5312 5.6823 5.6823 5.9454 5.9454 6.6210 6.6210 7.0525 7.0525 7.0555 7.0555 7.4567 7.4567 k = 0.0000 0.0000 0.1875 ( 8471 PWs) bands (ev): -12.5435 -12.5435 -12.4617 -12.4617 -9.7356 -9.7356 -9.7355 -9.7355 -9.3377 -9.3377 -9.1949 -9.1949 -9.1947 -9.1947 -9.0918 -9.0918 -5.5550 -5.5550 -5.3259 -5.3259 -2.0183 -2.0183 -2.0141 -2.0141 -2.0135 -2.0135 -1.7710 -1.7710 -1.6689 -1.6689 -1.5752 -1.5752 -1.5741 -1.5741 -1.5102 -1.5102 0.4755 0.4755 0.6271 0.6271 0.9281 0.9281 0.9562 0.9562 0.9607 0.9607 1.0653 1.0653 1.0785 1.0785 1.2868 1.2868 1.3310 1.3310 1.7913 1.7913 1.8160 1.8160 1.9871 1.9871 2.5229 2.5229 2.5264 2.5264 5.7037 5.7037 5.9347 5.9347 6.6726 6.6726 7.0947 7.0947 7.0979 7.0979 7.4064 7.4064 k = 0.0000 0.0000 0.2045 ( 8467 PWs) bands (ev): -12.5385 -12.5385 -12.4672 -12.4672 -9.7355 -9.7355 -9.7354 -9.7354 -9.3223 -9.3223 -9.1950 -9.1950 -9.1948 -9.1948 -9.1080 -9.1080 -5.5396 -5.5396 -5.3399 -5.3399 -2.0098 -2.0098 -2.0083 -2.0083 -2.0025 -2.0025 -1.7890 -1.7890 -1.6598 -1.6598 -1.5824 -1.5824 -1.5813 -1.5813 -1.5212 -1.5212 0.4817 0.4817 0.6136 0.6136 0.9453 0.9453 0.9569 0.9569 0.9738 0.9738 1.0697 1.0697 1.0809 1.0809 1.3074 1.3074 1.3315 1.3315 1.7908 1.7908 1.8141 1.8141 1.9398 1.9398 2.5188 2.5188 2.5218 2.5218 5.7256 5.7256 5.9242 5.9242 6.7243 6.7243 7.1395 7.1395 7.1429 7.1429 7.3542 7.3542 k = 0.0000 0.0000 0.2216 ( 8475 PWs) bands (ev): -12.5332 -12.5332 -12.4729 -12.4729 -9.7355 -9.7355 -9.7353 -9.7353 -9.3061 -9.3061 -9.1951 -9.1951 -9.1949 -9.1949 -9.1250 -9.1250 -5.5234 -5.5234 -5.3548 -5.3548 -2.0039 -2.0039 -2.0029 -2.0029 -1.9881 -1.9881 -1.8077 -1.8077 -1.6500 -1.6500 -1.5891 -1.5891 -1.5879 -1.5879 -1.5327 -1.5327 0.4888 0.4888 0.6000 0.6000 0.9512 0.9512 0.9574 0.9574 0.9992 0.9992 1.0738 1.0738 1.0826 1.0826 1.2869 1.2869 1.3738 1.3738 1.7894 1.7894 1.8122 1.8122 1.8918 1.8918 2.5151 2.5151 2.5176 2.5176 5.7475 5.7475 5.9137 5.9137 6.7760 6.7760 7.1862 7.1862 7.1898 7.1898 7.3014 7.3014 k = 0.0000 0.0000 0.2386 ( 8491 PWs) bands (ev): -12.5276 -12.5276 -12.4788 -12.4788 -9.7354 -9.7354 -9.7353 -9.7353 -9.2892 -9.2892 -9.1952 -9.1952 -9.1950 -9.1950 -9.1427 -9.1427 -5.5068 -5.5068 -5.3703 -5.3703 -1.9989 -1.9989 -1.9981 -1.9981 -1.9726 -1.9726 -1.8267 -1.8267 -1.6398 -1.6398 -1.5950 -1.5950 -1.5937 -1.5937 -1.5445 -1.5445 0.4967 0.4967 0.5865 0.5865 0.9537 0.9537 0.9579 0.9579 1.0279 1.0279 1.0780 1.0780 1.0837 1.0837 1.2634 1.2634 1.4196 1.4196 1.7845 1.7845 1.8105 1.8105 1.8461 1.8461 2.5120 2.5120 2.5140 2.5140 5.7692 5.7692 5.9026 5.9026 6.8277 6.8277 7.2334 7.2334 7.2361 7.2361 7.2512 7.2512 k = 0.0000 0.0000 0.2557 ( 8491 PWs) bands (ev): -12.5218 -12.5218 -12.4849 -12.4849 -9.7353 -9.7353 -9.7353 -9.7353 -9.2717 -9.2717 -9.1953 -9.1953 -9.1951 -9.1951 -9.1607 -9.1607 -5.4897 -5.4897 -5.3865 -5.3865 -1.9947 -1.9947 -1.9942 -1.9942 -1.9562 -1.9562 -1.8459 -1.8459 -1.6292 -1.6292 -1.5999 -1.5999 -1.5983 -1.5983 -1.5564 -1.5564 0.5054 0.5054 0.5733 0.5733 0.9553 0.9553 0.9582 0.9582 1.0555 1.0555 1.0838 1.0838 1.0845 1.0845 1.2382 1.2382 1.4675 1.4675 1.7638 1.7638 1.8088 1.8088 1.8155 1.8155 2.5094 2.5094 2.5109 2.5109 5.7903 5.7903 5.8907 5.8907 6.8793 6.8793 7.1935 7.1935 7.2836 7.2836 7.2883 7.2883 k = 0.0000 0.0000 0.2727 ( 8479 PWs) bands (ev): -12.5158 -12.5158 -12.4911 -12.4911 -9.7353 -9.7353 -9.7352 -9.7352 -9.2536 -9.2536 -9.1954 -9.1954 -9.1951 -9.1951 -9.1791 -9.1791 -5.4724 -5.4724 -5.4031 -5.4031 -1.9916 -1.9916 -1.9913 -1.9913 -1.9390 -1.9390 -1.8651 -1.8651 -1.6186 -1.6186 -1.6037 -1.6037 -1.6012 -1.6012 -1.5684 -1.5684 0.5149 0.5149 0.5604 0.5604 0.9565 0.9565 0.9584 0.9584 1.0732 1.0732 1.0841 1.0841 1.0996 1.0996 1.2115 1.2115 1.5171 1.5171 1.7209 1.7209 1.8065 1.8065 1.8077 1.8077 2.5076 2.5076 2.5086 2.5086 5.8104 5.8104 5.8775 5.8775 6.9310 6.9310 7.1406 7.1406 7.3319 7.3319 7.3364 7.3364 k = 0.0000 0.0000 0.2898 ( 8488 PWs) bands (ev): -12.5097 -12.5097 -12.4973 -12.4973 -9.7352 -9.7352 -9.7352 -9.7352 -9.2353 -9.2353 -9.1987 -9.1987 -9.1952 -9.1952 -9.1944 -9.1944 -5.4549 -5.4549 -5.4202 -5.4202 -1.9896 -1.9896 -1.9895 -1.9895 -1.9212 -1.9212 -1.8841 -1.8841 -1.6103 -1.6103 -1.6062 -1.6062 -1.6002 -1.6002 -1.5803 -1.5803 0.5253 0.5253 0.5481 0.5481 0.9574 0.9574 0.9584 0.9584 1.0791 1.0791 1.0833 1.0833 1.1262 1.1262 1.1837 1.1837 1.5678 1.5678 1.6708 1.6708 1.8051 1.8051 1.8063 1.8063 2.5066 2.5066 2.5071 2.5071 5.8294 5.8294 5.8630 5.8630 6.9830 6.9830 7.0877 7.0877 7.3756 7.3756 7.3792 7.3792 k = 0.0000 0.0000 0.3068 ( 8476 PWs) bands (ev): -12.5036 -12.5036 -12.5036 -12.5036 -9.7352 -9.7352 -9.7352 -9.7352 -9.2167 -9.2167 -9.2167 -9.2167 -9.1951 -9.1951 -9.1951 -9.1951 -5.4375 -5.4375 -5.4375 -5.4375 -1.9889 -1.9889 -1.9889 -1.9889 -1.9029 -1.9029 -1.9029 -1.9029 -1.6077 -1.6077 -1.6077 -1.6077 -1.5917 -1.5917 -1.5917 -1.5917 0.5363 0.5363 0.5363 0.5363 0.9581 0.9581 0.9581 0.9581 1.0818 1.0818 1.0818 1.0818 1.1550 1.1550 1.1550 1.1550 1.6193 1.6193 1.6193 1.6193 1.8053 1.8053 1.8053 1.8053 2.5064 2.5064 2.5064 2.5064 5.8469 5.8469 5.8469 5.8469 7.0352 7.0352 7.0352 7.0352 7.3991 7.3991 7.3991 7.3991 k = 0.0000 0.0000 0.3068 ( 8476 PWs) bands (ev): -12.5036 -12.5036 -12.5036 -12.5036 -9.7352 -9.7352 -9.7352 -9.7352 -9.2167 -9.2167 -9.2167 -9.2167 -9.1951 -9.1951 -9.1951 -9.1951 -5.4375 -5.4375 -5.4375 -5.4375 -1.9889 -1.9889 -1.9889 -1.9889 -1.9029 -1.9029 -1.9029 -1.9029 -1.6077 -1.6077 -1.6077 -1.6077 -1.5917 -1.5917 -1.5917 -1.5917 0.5363 0.5363 0.5363 0.5363 0.9581 0.9581 0.9581 0.9581 1.0818 1.0818 1.0818 1.0818 1.1550 1.1550 1.1550 1.1550 1.6193 1.6193 1.6193 1.6193 1.8053 1.8053 1.8053 1.8053 2.5064 2.5064 2.5064 2.5064 5.8469 5.8469 5.8469 5.8469 7.0352 7.0352 7.0352 7.0352 7.3991 7.3991 7.3991 7.3991 k = 0.0000 0.0179 0.3068 ( 8494 PWs) bands (ev): -12.5035 -12.5035 -12.5031 -12.5031 -9.7369 -9.7369 -9.7352 -9.7352 -9.2179 -9.2177 -9.2165 -9.2165 -9.1953 -9.1952 -9.1944 -9.1942 -5.4373 -5.4373 -5.4353 -5.4353 -1.9949 -1.9940 -1.9895 -1.9892 -1.9027 -1.9024 -1.8968 -1.8962 -1.6202 -1.6192 -1.6075 -1.6074 -1.5933 -1.5931 -1.5811 -1.5808 0.5364 0.5366 0.5384 0.5398 0.9537 0.9550 0.9580 0.9611 1.0731 1.0735 1.0824 1.0829 1.1543 1.1555 1.1601 1.1617 1.6057 1.6090 1.6233 1.6246 1.8031 1.8034 1.8158 1.8189 2.5050 2.5054 2.5075 2.5079 5.8465 5.8468 5.8481 5.8486 7.0352 7.0355 7.0356 7.0358 7.3942 7.3947 7.3985 7.3993 k = 0.0000 0.0357 0.3068 ( 8480 PWs) bands (ev): -12.5032 -12.5032 -12.5017 -12.5017 -9.7419 -9.7419 -9.7351 -9.7351 -9.2204 -9.2202 -9.2160 -9.2160 -9.1954 -9.1951 -9.1926 -9.1922 -5.4366 -5.4366 -5.4290 -5.4289 -2.0084 -2.0071 -1.9911 -1.9905 -1.9019 -1.9012 -1.8811 -1.8802 -1.6382 -1.6367 -1.6119 -1.6115 -1.5929 -1.5926 -1.5672 -1.5671 0.5367 0.5372 0.5458 0.5487 0.9460 0.9477 0.9572 0.9640 1.0529 1.0535 1.0815 1.0827 1.1594 1.1607 1.1688 1.1726 1.5809 1.5866 1.6290 1.6308 1.8033 1.8037 1.8396 1.8453 2.5014 2.5021 2.5110 2.5119 5.8456 5.8461 5.8520 5.8530 7.0356 7.0365 7.0368 7.0375 7.3806 7.3816 7.3972 7.3988 k = 0.0000 0.0536 0.3068 ( 8484 PWs) bands (ev): -12.5027 -12.5027 -12.4993 -12.4993 -9.7502 -9.7502 -9.7349 -9.7349 -9.2240 -9.2238 -9.2153 -9.2153 -9.1954 -9.1950 -9.1902 -9.1896 -5.4355 -5.4355 -5.4184 -5.4184 -2.0250 -2.0234 -1.9936 -1.9927 -1.9005 -1.8994 -1.8603 -1.8594 -1.6580 -1.6559 -1.6191 -1.6183 -1.5920 -1.5917 -1.5542 -1.5539 0.5374 0.5380 0.5586 0.5628 0.9352 0.9370 0.9565 0.9668 1.0234 1.0240 1.0802 1.0819 1.1672 1.1677 1.1808 1.1869 1.5507 1.5575 1.6372 1.6397 1.8039 1.8050 1.8716 1.8787 2.4955 2.4966 2.5169 2.5182 5.8441 5.8449 5.8586 5.8601 7.0366 7.0379 7.0391 7.0401 7.3598 7.3617 7.3811 7.3820 k = 0.0000 0.0714 0.3068 ( 8484 PWs) bands (ev): -12.5020 -12.5020 -12.4960 -12.4960 -9.7616 -9.7616 -9.7347 -9.7347 -9.2283 -9.2281 -9.2144 -9.2144 -9.1954 -9.1949 -9.1875 -9.1867 -5.4340 -5.4340 -5.4038 -5.4038 -2.0424 -2.0407 -1.9969 -1.9957 -1.8987 -1.8972 -1.8369 -1.8361 -1.6789 -1.6762 -1.6289 -1.6277 -1.5908 -1.5904 -1.5424 -1.5419 0.5383 0.5392 0.5765 0.5821 0.9222 0.9240 0.9551 0.9684 0.9870 0.9874 1.0784 1.0806 1.1745 1.1747 1.1965 1.2041 1.5196 1.5268 1.6473 1.6504 1.8052 1.8070 1.9072 1.9150 2.4876 2.4889 2.5250 2.5267 5.8421 5.8432 5.8680 5.8699 7.0379 7.0398 7.0427 7.0440 7.3199 7.3216 7.3370 7.3374 k = 0.0000 0.0893 0.3068 ( 8488 PWs) bands (ev): -12.5012 -12.5012 -12.4919 -12.4919 -9.7759 -9.7759 -9.7344 -9.7344 -9.2331 -9.2329 -9.2132 -9.2132 -9.1954 -9.1948 -9.1846 -9.1838 -5.4321 -5.4321 -5.3854 -5.3854 -2.0598 -2.0580 -2.0010 -1.9996 -1.8966 -1.8946 -1.8119 -1.8113 -1.7005 -1.6971 -1.6409 -1.6393 -1.5893 -1.5888 -1.5320 -1.5311 0.5396 0.5407 0.5991 0.6060 0.9076 0.9099 0.9436 0.9436 0.9540 0.9691 1.0762 1.0788 1.1809 1.1815 1.2149 1.2232 1.4908 1.4979 1.6583 1.6620 1.8073 1.8100 1.9437 1.9520 2.4776 2.4793 2.5350 2.5371 5.8396 5.8409 5.8799 5.8823 7.0395 7.0420 7.0475 7.0491 7.2620 7.2630 7.3085 7.3092 k = 0.0000 0.1071 0.3068 ( 8488 PWs) bands (ev): -12.5002 -12.5002 -12.4868 -12.4868 -9.7929 -9.7929 -9.7341 -9.7341 -9.2383 -9.2382 -9.2119 -9.2119 -9.1954 -9.1946 -9.1817 -9.1808 -5.4299 -5.4298 -5.3635 -5.3634 -2.0765 -2.0746 -2.0060 -2.0043 -1.8945 -1.8921 -1.7859 -1.7858 -1.7226 -1.7180 -1.6547 -1.6526 -1.5874 -1.5868 -1.5228 -1.5217 0.5413 0.5426 0.6260 0.6343 0.8859 0.8938 0.8974 0.9045 0.9479 0.9658 1.0736 1.0766 1.1870 1.1881 1.2348 1.2430 1.4665 1.4730 1.6692 1.6735 1.8105 1.8141 1.9798 1.9885 2.4659 2.4677 2.5466 2.5491 5.8366 5.8380 5.8942 5.8971 7.0413 7.0446 7.0537 7.0556 7.2055 7.2066 7.2786 7.2798 k = 0.0000 0.1250 0.3068 ( 8478 PWs) bands (ev): -12.4991 -12.4991 -12.4810 -12.4810 -9.8123 -9.8123 -9.7337 -9.7337 -9.2439 -9.2437 -9.2105 -9.2105 -9.1953 -9.1945 -9.1788 -9.1778 -5.4273 -5.4272 -5.3383 -5.3382 -2.0923 -2.0904 -2.0115 -2.0096 -1.8930 -1.8900 -1.7620 -1.7597 -1.7442 -1.7364 -1.6697 -1.6671 -1.5852 -1.5846 -1.5149 -1.5135 0.5433 0.5447 0.6567 0.6663 0.8400 0.8433 0.8816 0.8850 0.9392 0.9584 1.0705 1.0737 1.1932 1.1947 1.2546 1.2622 1.4487 1.4542 1.6794 1.6844 1.8152 1.8199 2.0147 2.0236 2.4525 2.4546 2.5596 2.5624 5.8331 5.8347 5.9109 5.9142 7.0431 7.0475 7.0612 7.0636 7.1515 7.1532 7.2482 7.2498 k = 0.0000 0.1429 0.3068 ( 8496 PWs) bands (ev): -12.4978 -12.4978 -12.4744 -12.4744 -9.8339 -9.8338 -9.7332 -9.7332 -9.2497 -9.2496 -9.2090 -9.2090 -9.1952 -9.1943 -9.1759 -9.1749 -5.4244 -5.4243 -5.3101 -5.3101 -2.1072 -2.1052 -2.0177 -2.0156 -1.8927 -1.8889 -1.7671 -1.7643 -1.7317 -1.7279 -1.6849 -1.6815 -1.5826 -1.5821 -1.5081 -1.5064 0.5457 0.5472 0.6900 0.7012 0.7859 0.7881 0.8681 0.8716 0.9262 0.9462 1.0668 1.0702 1.1996 1.2017 1.2732 1.2797 1.4389 1.4429 1.6882 1.6939 1.8215 1.8274 2.0476 2.0568 2.4378 2.4400 2.5735 2.5766 5.8292 5.8310 5.9297 5.9335 7.0448 7.0504 7.0680 7.0718 7.1016 7.1052 7.2180 7.2200 k = 0.0000 0.1607 0.3068 ( 8492 PWs) bands (ev): -12.4964 -12.4963 -12.4672 -12.4672 -9.8572 -9.8572 -9.7327 -9.7327 -9.2558 -9.2557 -9.2075 -9.2075 -9.1950 -9.1941 -9.1730 -9.1720 -5.4212 -5.4211 -5.2795 -5.2794 -2.1209 -2.1188 -2.0244 -2.0221 -1.8944 -1.8899 -1.7877 -1.7825 -1.7103 -1.7085 -1.6934 -1.6901 -1.5797 -1.5792 -1.5024 -1.5005 0.5483 0.5498 0.7176 0.7232 0.7375 0.7430 0.8562 0.8605 0.9088 0.9297 1.0626 1.0661 1.2065 1.2091 1.2890 1.2941 1.4382 1.4402 1.6953 1.7018 1.8298 1.8372 2.0782 2.0876 2.4220 2.4242 2.5881 2.5915 5.8251 5.8271 5.9504 5.9546 7.0425 7.0477 7.0507 7.0534 7.0885 7.0896 7.1888 7.1914 k = 0.0000 0.1786 0.3068 ( 8500 PWs) bands (ev): -12.4948 -12.4948 -12.4593 -12.4593 -9.8821 -9.8821 -9.7322 -9.7322 -9.2621 -9.2620 -9.2060 -9.2059 -9.1948 -9.1938 -9.1702 -9.1692 -5.4178 -5.4178 -5.2467 -5.2466 -2.1334 -2.1313 -2.0316 -2.0291 -1.8993 -1.8941 -1.8069 -1.8004 -1.7175 -1.7150 -1.6710 -1.6708 -1.5762 -1.5758 -1.4977 -1.4956 0.5510 0.5519 0.6672 0.6673 0.7615 0.7745 0.8467 0.8531 0.8889 0.9108 1.0577 1.0613 1.2139 1.2172 1.3010 1.3048 1.4462 1.4467 1.7003 1.7077 1.8404 1.8493 2.1062 2.1158 2.4053 2.4075 2.6031 2.6067 5.8209 5.8230 5.9729 5.9775 7.0027 7.0028 7.0478 7.0555 7.1010 7.1012 7.1614 7.1649 k = 0.0000 0.1964 0.3068 ( 8488 PWs) bands (ev): -12.4932 -12.4932 -12.4508 -12.4508 -9.9081 -9.9081 -9.7317 -9.7317 -9.2685 -9.2684 -9.2044 -9.2044 -9.1946 -9.1936 -9.1675 -9.1665 -5.4143 -5.4142 -5.2122 -5.2121 -2.1446 -2.1424 -2.0391 -2.0364 -1.9080 -1.9024 -1.8244 -1.8173 -1.7285 -1.7251 -1.6440 -1.6439 -1.5716 -1.5716 -1.4939 -1.4916 0.5506 0.5517 0.6081 0.6105 0.7848 0.7974 0.8409 0.8457 0.8804 0.8978 1.0521 1.0558 1.2220 1.2260 1.3092 1.3119 1.4596 1.4631 1.7030 1.7113 1.8534 1.8640 2.1311 2.1411 2.3881 2.3901 2.6182 2.6219 5.8168 5.8189 5.9969 6.0018 6.9594 6.9601 7.0467 7.0563 7.1162 7.1162 7.1377 7.1416 k = 0.0000 0.2143 0.3068 ( 8488 PWs) bands (ev): -12.4915 -12.4915 -12.4419 -12.4419 -9.9350 -9.9350 -9.7311 -9.7311 -9.2749 -9.2749 -9.2029 -9.2029 -9.1943 -9.1933 -9.1649 -9.1638 -5.4106 -5.4105 -5.1764 -5.1763 -2.1545 -2.1523 -2.0469 -2.0441 -1.9204 -1.9149 -1.8410 -1.8339 -1.7360 -1.7323 -1.6184 -1.6178 -1.5654 -1.5648 -1.4909 -1.4884 0.5238 0.5285 0.5717 0.5781 0.7882 0.8000 0.8236 0.8302 0.9070 0.9099 1.0459 1.0496 1.2307 1.2355 1.3140 1.3158 1.4788 1.4854 1.7033 1.7126 1.8688 1.8812 2.1529 2.1632 2.3704 2.3724 2.6332 2.6371 5.8129 5.8151 6.0221 6.0273 6.9183 6.9196 7.0428 7.0539 7.1160 7.1225 7.1343 7.1361 k = 0.0000 0.2321 0.3068 ( 8482 PWs) bands (ev): -12.4898 -12.4898 -12.4327 -12.4327 -9.9624 -9.9623 -9.7305 -9.7305 -9.2814 -9.2814 -9.2015 -9.2014 -9.1940 -9.1930 -9.1623 -9.1613 -5.4069 -5.4068 -5.1398 -5.1397 -2.1631 -2.1608 -2.0548 -2.0519 -1.9357 -1.9305 -1.8577 -1.8512 -1.7392 -1.7354 -1.5978 -1.5963 -1.5541 -1.5525 -1.4885 -1.4860 0.4661 0.4694 0.5710 0.5763 0.7749 0.7837 0.8046 0.8133 0.9457 0.9499 1.0390 1.0427 1.2400 1.2456 1.3162 1.3172 1.5020 1.5116 1.7012 1.7115 1.8865 1.9007 2.1714 2.1820 2.3528 2.3546 2.6479 2.6518 5.8095 5.8117 6.0483 6.0537 6.8794 6.8812 7.0351 7.0462 7.1048 7.1103 7.1535 7.1548 k = 0.0000 0.2500 0.3068 ( 8500 PWs) bands (ev): -12.4881 -12.4881 -12.4231 -12.4231 -9.9899 -9.9899 -9.7299 -9.7299 -9.2879 -9.2879 -9.2001 -9.2001 -9.1937 -9.1927 -9.1598 -9.1588 -5.4031 -5.4030 -5.1028 -5.1027 -2.1702 -2.1679 -2.0629 -2.0598 -1.9526 -1.9479 -1.8753 -1.8695 -1.7384 -1.7347 -1.5852 -1.5832 -1.5342 -1.5319 -1.4866 -1.4843 0.4026 0.4052 0.5756 0.5805 0.7499 0.7530 0.7958 0.8002 0.9907 0.9982 1.0314 1.0353 1.2500 1.2563 1.3162 1.3165 1.5276 1.5399 1.6967 1.7080 1.9062 1.9221 2.1863 2.1974 2.3353 2.3369 2.6620 2.6660 5.8066 5.8090 6.0752 6.0808 6.8428 6.8449 7.0236 7.0333 7.1004 7.1039 7.1745 7.1756 k = 0.0000 0.2679 0.3068 ( 8488 PWs) bands (ev): -12.4863 -12.4863 -12.4135 -12.4135 -10.0173 -10.0173 -9.7293 -9.7293 -9.2943 -9.2943 -9.1988 -9.1987 -9.1933 -9.1924 -9.1574 -9.1565 -5.3993 -5.3992 -5.0659 -5.0659 -2.1761 -2.1737 -2.0709 -2.0678 -1.9701 -1.9660 -1.8937 -1.8887 -1.7345 -1.7309 -1.5782 -1.5763 -1.5091 -1.5055 -1.4843 -1.4832 0.3381 0.3403 0.5815 0.5863 0.7191 0.7194 0.7890 0.7909 1.0232 1.0258 1.0409 1.0488 1.2606 1.2676 1.3140 1.3146 1.5548 1.5694 1.6898 1.7021 1.9275 1.9450 2.1978 2.2093 2.3181 2.3197 2.6755 2.6795 5.8046 5.8070 6.1024 6.1082 6.8082 6.8106 7.0105 7.0185 7.1003 7.1017 7.1967 7.1976 k = 0.0000 0.2857 0.3068 ( 8484 PWs) bands (ev): -12.4846 -12.4846 -12.4038 -12.4038 -10.0442 -10.0442 -9.7287 -9.7287 -9.3005 -9.3005 -9.1976 -9.1975 -9.1930 -9.1920 -9.1552 -9.1542 -5.3956 -5.3955 -5.0297 -5.0296 -2.1806 -2.1782 -2.0790 -2.0758 -1.9876 -1.9839 -1.9125 -1.9082 -1.7285 -1.7250 -1.5738 -1.5720 -1.4908 -1.4829 -1.4764 -1.4731 0.2738 0.2757 0.5881 0.5930 0.6856 0.6865 0.7831 0.7838 1.0145 1.0179 1.0906 1.1007 1.2716 1.2791 1.3100 1.3119 1.5825 1.5988 1.6810 1.6941 1.9500 1.9687 2.2057 2.2178 2.3016 2.3032 2.6883 2.6922 5.8035 5.8059 6.1296 6.1355 6.7755 6.7782 6.9976 7.0043 7.1019 7.1020 7.2198 7.2206 k = 0.0000 0.3036 0.3068 ( 8490 PWs) bands (ev): -12.4829 -12.4829 -12.3942 -12.3942 -10.0704 -10.0704 -9.7281 -9.7281 -9.3065 -9.3065 -9.1964 -9.1964 -9.1926 -9.1917 -9.1530 -9.1521 -5.3920 -5.3919 -4.9944 -4.9943 -2.1838 -2.1813 -2.0869 -2.0837 -2.0045 -2.0012 -1.9314 -1.9276 -1.7211 -1.7176 -1.5704 -1.5688 -1.4879 -1.4827 -1.4467 -1.4459 0.2103 0.2120 0.5951 0.6004 0.6524 0.6543 0.7779 0.7780 1.0053 1.0088 1.1414 1.1531 1.2830 1.2900 1.3048 1.3093 1.6101 1.6273 1.6705 1.6842 1.9730 1.9928 2.2101 2.2230 2.2859 2.2875 2.7002 2.7040 5.8034 5.8057 6.1566 6.1624 6.7447 6.7476 6.9862 6.9919 7.1031 7.1042 7.2435 7.2441 k = 0.0000 0.3214 0.3068 ( 8502 PWs) bands (ev): -12.4813 -12.4813 -12.3848 -12.3848 -10.0954 -10.0954 -9.7276 -9.7276 -9.3122 -9.3122 -9.1954 -9.1953 -9.1923 -9.1914 -9.1510 -9.1502 -5.3886 -5.3885 -4.9605 -4.9605 -2.1858 -2.1833 -2.0947 -2.0915 -2.0204 -2.0175 -1.9498 -1.9465 -1.7128 -1.7095 -1.5677 -1.5661 -1.4877 -1.4829 -1.4166 -1.4164 0.1483 0.1499 0.6010 0.6083 0.6205 0.6246 0.7732 0.7737 0.9958 0.9993 1.1915 1.2053 1.2928 1.2963 1.3008 1.3117 1.6365 1.6499 1.6629 1.6728 1.9961 2.0166 2.2112 2.2250 2.2710 2.2730 2.7113 2.7149 5.8043 5.8066 6.1828 6.1886 6.7157 6.7187 6.9770 6.9819 7.1046 7.1063 7.2672 7.2677 k = 0.0000 0.3393 0.3068 ( 8514 PWs) bands (ev): -12.4797 -12.4797 -12.3758 -12.3758 -10.1191 -10.1191 -9.7271 -9.7270 -9.3176 -9.3175 -9.1944 -9.1944 -9.1919 -9.1911 -9.1491 -9.1484 -5.3854 -5.3853 -4.9286 -4.9285 -2.1866 -2.1840 -2.1023 -2.0990 -2.0352 -2.0325 -1.9675 -1.9645 -1.7042 -1.7009 -1.5654 -1.5639 -1.4881 -1.4836 -1.3868 -1.3867 0.0885 0.0899 0.5885 0.5902 0.6152 0.6167 0.7694 0.7702 0.9861 0.9896 1.2376 1.2565 1.2901 1.2977 1.3095 1.3222 1.6419 1.6546 1.6669 1.6824 2.0187 2.0396 2.2093 2.2242 2.2573 2.2597 2.7213 2.7247 5.8061 5.8084 6.2081 6.2137 6.6885 6.6916 6.9704 6.9747 7.1059 7.1077 7.2906 7.2909 k = 0.0000 0.3571 0.3068 ( 8506 PWs) bands (ev): -12.4783 -12.4783 -12.3673 -12.3673 -10.1411 -10.1411 -9.7266 -9.7266 -9.3225 -9.3225 -9.1936 -9.1935 -9.1915 -9.1908 -9.1474 -9.1467 -5.3824 -5.3823 -4.8988 -4.8987 -2.1864 -2.1837 -2.1097 -2.1064 -2.0486 -2.0462 -1.9840 -1.9814 -1.6956 -1.6924 -1.5634 -1.5620 -1.4887 -1.4845 -1.3576 -1.3575 0.0314 0.0326 0.5620 0.5622 0.6222 0.6251 0.7665 0.7675 0.9763 0.9798 1.2654 1.2821 1.3057 1.3126 1.3242 1.3364 1.6276 1.6434 1.6869 1.7047 2.0403 2.0612 2.2048 2.2208 2.2448 2.2478 2.7303 2.7335 5.8088 5.8110 6.2320 6.2373 6.6632 6.6663 6.9664 6.9703 7.1063 7.1081 7.3132 7.3134 k = 0.0000 0.3750 0.3068 ( 8506 PWs) bands (ev): -12.4769 -12.4769 -12.3594 -12.3594 -10.1612 -10.1612 -9.7261 -9.7261 -9.3270 -9.3270 -9.1928 -9.1927 -9.1912 -9.1905 -9.1459 -9.1453 -5.3796 -5.3795 -4.8717 -4.8716 -2.1852 -2.1825 -2.1168 -2.1135 -2.0605 -2.0584 -1.9992 -1.9969 -1.6872 -1.6842 -1.5616 -1.5604 -1.4896 -1.4855 -1.3295 -1.3294 -0.0223 -0.0212 0.5367 0.5368 0.6305 0.6336 0.7643 0.7654 0.9667 0.9700 1.2680 1.2752 1.3309 1.3404 1.3602 1.3613 1.6125 1.6287 1.7070 1.7240 2.0605 2.0811 2.1983 2.2154 2.2336 2.2372 2.7383 2.7412 5.8123 5.8143 6.2541 6.2591 6.6400 6.6430 6.9652 6.9687 7.1057 7.1072 7.3346 7.3346 k = 0.0000 0.3929 0.3068 ( 8508 PWs) bands (ev): -12.4758 -12.4758 -12.3522 -12.3522 -10.1792 -10.1791 -9.7257 -9.7257 -9.3311 -9.3311 -9.1921 -9.1921 -9.1909 -9.1903 -9.1445 -9.1440 -5.3772 -5.3771 -4.8475 -4.8474 -2.1831 -2.1804 -2.1237 -2.1203 -2.0709 -2.0689 -2.0129 -2.0109 -1.6793 -1.6765 -1.5601 -1.5590 -1.4905 -1.4867 -1.3029 -1.3029 -0.0716 -0.0707 0.5139 0.5142 0.6388 0.6419 0.7627 0.7638 0.9575 0.9606 1.2639 1.2682 1.3446 1.3564 1.4025 1.4058 1.5972 1.6134 1.7239 1.7396 2.0790 2.0990 2.1907 2.2086 2.2237 2.2278 2.7453 2.7478 5.8162 5.8181 6.2741 6.2787 6.6191 6.6219 6.9666 6.9697 7.1037 7.1048 7.3542 7.3543 k = 0.0000 0.4107 0.3068 ( 8498 PWs) bands (ev): -12.4747 -12.4747 -12.3459 -12.3459 -10.1947 -10.1947 -9.7254 -9.7254 -9.3345 -9.3345 -9.1916 -9.1915 -9.1906 -9.1901 -9.1433 -9.1429 -5.3751 -5.3750 -4.8265 -4.8264 -2.1804 -2.1775 -2.1303 -2.1269 -2.0796 -2.0779 -2.0248 -2.0231 -1.6721 -1.6696 -1.5588 -1.5578 -1.4913 -1.4880 -1.2786 -1.2785 -0.1158 -0.1150 0.4942 0.4945 0.6468 0.6496 0.7616 0.7627 0.9489 0.9518 1.2588 1.2617 1.3574 1.3694 1.4448 1.4492 1.5823 1.5981 1.7370 1.7509 2.0954 2.1145 2.1826 2.2008 2.2154 2.2196 2.7512 2.7534 5.8203 5.8219 6.2917 6.2957 6.6008 6.6032 6.9702 6.9731 7.1003 7.1009 7.3716 7.3718 k = 0.0000 0.4286 0.3068 ( 8500 PWs) bands (ev): -12.4739 -12.4739 -12.3407 -12.3407 -10.2077 -10.2077 -9.7251 -9.7251 -9.3374 -9.3374 -9.1911 -9.1911 -9.1903 -9.1899 -9.1423 -9.1420 -5.3733 -5.3733 -4.8090 -4.8089 -2.1770 -2.1741 -2.1366 -2.1332 -2.0866 -2.0852 -2.0348 -2.0334 -1.6659 -1.6638 -1.5578 -1.5569 -1.4921 -1.4892 -1.2571 -1.2570 -0.1539 -0.1533 0.4778 0.4781 0.6541 0.6566 0.7610 0.7619 0.9413 0.9438 1.2540 1.2560 1.3695 1.3811 1.4842 1.4885 1.5686 1.5834 1.7460 1.7578 2.1096 2.1275 2.1749 2.1927 2.2087 2.2126 2.7561 2.7579 5.8242 5.8257 6.3066 6.3100 6.5852 6.5873 6.9758 6.9782 7.0955 7.0957 7.3866 7.3867 k = 0.0000 0.4464 0.3068 ( 8508 PWs) bands (ev): -12.4732 -12.4732 -12.3364 -12.3364 -10.2180 -10.2180 -9.7248 -9.7248 -9.3397 -9.3397 -9.1907 -9.1907 -9.1901 -9.1898 -9.1416 -9.1413 -5.3719 -5.3719 -4.7951 -4.7951 -2.1732 -2.1702 -2.1426 -2.1392 -2.0920 -2.0909 -2.0428 -2.0416 -1.6608 -1.6591 -1.5569 -1.5562 -1.4926 -1.4904 -1.2392 -1.2391 -0.1850 -0.1845 0.4649 0.4651 0.6604 0.6624 0.7606 0.7614 0.9350 0.9370 1.2499 1.2512 1.3808 1.3910 1.5186 1.5221 1.5569 1.5701 1.7511 1.7606 2.1215 2.1379 2.1680 2.1849 2.2036 2.2068 2.7600 2.7613 5.8278 5.8289 6.3186 6.3212 6.5728 6.5744 6.9824 6.9844 7.0897 7.0898 7.3987 7.3988 k = 0.0000 0.4643 0.3068 ( 8520 PWs) bands (ev): -12.4727 -12.4727 -12.3333 -12.3333 -10.2255 -10.2255 -9.7247 -9.7247 -9.3414 -9.3414 -9.1905 -9.1905 -9.1899 -9.1897 -9.1410 -9.1408 -5.3709 -5.3709 -4.7851 -4.7851 -2.1689 -2.1659 -2.1483 -2.1450 -2.0957 -2.0950 -2.0485 -2.0477 -1.6569 -1.6557 -1.5563 -1.5558 -1.4930 -1.4914 -1.2257 -1.2257 -0.2079 -0.2076 0.4555 0.4557 0.6653 0.6667 0.7605 0.7611 0.9303 0.9317 1.2468 1.2477 1.3906 1.3985 1.5444 1.5460 1.5499 1.5611 1.7533 1.7600 2.1311 2.1452 2.1629 2.1777 2.2002 2.2025 2.7628 2.7637 5.8307 5.8314 6.3274 6.3292 6.5638 6.5649 6.9891 6.9906 7.0838 7.0840 7.4075 7.4076 k = 0.0000 0.4821 0.3068 ( 8540 PWs) bands (ev): -12.4724 -12.4724 -12.3315 -12.3315 -10.2300 -10.2300 -9.7246 -9.7246 -9.3424 -9.3424 -9.1904 -9.1904 -9.1898 -9.1897 -9.1406 -9.1405 -5.3703 -5.3703 -4.7790 -4.7790 -2.1643 -2.1614 -2.1535 -2.1504 -2.0979 -2.0975 -2.0519 -2.0515 -1.6544 -1.6538 -1.5558 -1.5556 -1.4930 -1.4922 -1.2173 -1.2173 -0.2221 -0.2219 0.4499 0.4500 0.6686 0.6693 0.7606 0.7609 0.9275 0.9282 1.2450 1.2454 1.3981 1.4024 1.5426 1.5466 1.5656 1.5687 1.7541 1.7576 2.1386 2.1475 2.1620 2.1713 2.1984 2.1997 2.7645 2.7650 5.8326 5.8330 6.3329 6.3338 6.5584 6.5589 6.9944 6.9952 7.0792 7.0794 7.4130 7.4130 k = 0.0000 0.5000 0.3068 ( 8528 PWs) bands (ev): -12.4723 -12.4723 -12.3309 -12.3309 -10.2315 -10.2315 -9.7245 -9.7245 -9.3427 -9.3427 -9.1903 -9.1903 -9.1897 -9.1897 -9.1404 -9.1404 -5.3701 -5.3701 -4.7770 -4.7770 -2.1599 -2.1599 -2.1552 -2.1552 -2.0984 -2.0984 -2.0529 -2.0529 -1.6534 -1.6534 -1.5556 -1.5556 -1.4928 -1.4928 -1.2144 -1.2144 -0.2268 -0.2268 0.4480 0.4480 0.6699 0.6699 0.7607 0.7607 0.9268 0.9268 1.2445 1.2445 1.4023 1.4023 1.5426 1.5426 1.5731 1.5731 1.7553 1.7553 2.1443 2.1443 2.1658 2.1658 2.1983 2.1983 2.7653 2.7653 5.8334 5.8334 6.3351 6.3351 6.5567 6.5567 6.9967 6.9967 7.0776 7.0776 7.4148 7.4148 k = 0.0000 0.5000 0.3068 ( 8528 PWs) bands (ev): -12.4723 -12.4723 -12.3309 -12.3309 -10.2315 -10.2315 -9.7245 -9.7245 -9.3427 -9.3427 -9.1903 -9.1903 -9.1897 -9.1897 -9.1404 -9.1404 -5.3701 -5.3701 -4.7770 -4.7770 -2.1599 -2.1599 -2.1552 -2.1552 -2.0984 -2.0984 -2.0529 -2.0529 -1.6534 -1.6534 -1.5556 -1.5556 -1.4928 -1.4928 -1.2144 -1.2144 -0.2268 -0.2268 0.4480 0.4480 0.6699 0.6699 0.7607 0.7607 0.9268 0.9268 1.2445 1.2445 1.4023 1.4023 1.5426 1.5426 1.5731 1.5731 1.7553 1.7553 2.1443 2.1443 2.1658 2.1658 2.1983 2.1983 2.7653 2.7653 5.8334 5.8334 6.3351 6.3351 6.5567 6.5567 6.9967 6.9967 7.0776 7.0776 7.4148 7.4148 k = 0.0179 0.5000 0.3068 ( 8536 PWs) bands (ev): -12.4718 -12.4718 -12.3308 -12.3308 -10.2314 -10.2314 -9.7261 -9.7261 -9.3425 -9.3425 -9.1904 -9.1904 -9.1898 -9.1898 -9.1406 -9.1406 -5.3681 -5.3681 -4.7769 -4.7769 -2.1631 -2.1622 -2.1563 -2.1556 -2.0947 -2.0945 -2.0536 -2.0534 -1.6536 -1.6535 -1.5584 -1.5575 -1.4960 -1.4946 -1.2132 -1.2127 -0.2264 -0.2261 0.4497 0.4497 0.6724 0.6739 0.7617 0.7644 0.9236 0.9241 1.2435 1.2446 1.4020 1.4047 1.5414 1.5437 1.5735 1.5741 1.7542 1.7561 2.1347 2.1484 2.1611 2.1673 2.1996 2.2081 2.7644 2.7646 5.8322 5.8324 6.3322 6.3325 6.5562 6.5567 6.9974 6.9976 7.0768 7.0771 7.4101 7.4104 k = 0.0357 0.5000 0.3068 ( 8536 PWs) bands (ev): -12.4704 -12.4704 -12.3305 -12.3305 -10.2310 -10.2310 -9.7306 -9.7306 -9.3420 -9.3420 -9.1908 -9.1907 -9.1903 -9.1902 -9.1411 -9.1410 -5.3622 -5.3622 -4.7767 -4.7767 -2.1703 -2.1692 -2.1581 -2.1576 -2.0849 -2.0846 -2.0556 -2.0553 -1.6541 -1.6540 -1.5659 -1.5641 -1.5041 -1.5013 -1.2090 -1.2081 -0.2249 -0.2244 0.4547 0.4548 0.6814 0.6842 0.7674 0.7727 0.9148 0.9157 1.2412 1.2434 1.4040 1.4093 1.5401 1.5448 1.5752 1.5762 1.7528 1.7567 2.1231 2.1423 2.1591 2.1672 2.2107 2.2238 2.7621 2.7625 5.8291 5.8295 6.3239 6.3245 6.5550 6.5561 6.9999 7.0003 7.0749 7.0755 7.3982 7.3987 k = 0.0536 0.5000 0.3068 ( 8528 PWs) bands (ev): -12.4681 -12.4681 -12.3302 -12.3301 -10.2304 -10.2303 -9.7381 -9.7381 -9.3411 -9.3411 -9.1916 -9.1916 -9.1907 -9.1907 -9.1418 -9.1417 -5.3523 -5.3523 -4.7763 -4.7763 -2.1794 -2.1783 -2.1608 -2.1605 -2.0716 -2.0712 -2.0588 -2.0583 -1.6548 -1.6546 -1.5777 -1.5751 -1.5165 -1.5126 -1.2024 -1.2011 -0.2223 -0.2217 0.4628 0.4631 0.6966 0.7007 0.7778 0.7856 0.9008 0.9021 1.2371 1.2399 1.4090 1.4163 1.5387 1.5459 1.5783 1.5795 1.7511 1.7570 2.1116 2.1315 2.1588 2.1668 2.2270 2.2421 2.7584 2.7590 5.8241 5.8247 6.3105 6.3114 6.5532 6.5550 7.0039 7.0045 7.0718 7.0727 7.3814 7.3820 k = 0.0714 0.5000 0.3068 ( 8524 PWs) bands (ev): -12.4650 -12.4650 -12.3296 -12.3296 -10.2295 -10.2294 -9.7485 -9.7484 -9.3399 -9.3398 -9.1929 -9.1928 -9.1912 -9.1911 -9.1428 -9.1427 -5.3388 -5.3388 -4.7758 -4.7758 -2.1890 -2.1879 -2.1647 -2.1645 -2.0638 -2.0632 -2.0556 -2.0551 -1.6557 -1.6553 -1.5934 -1.5901 -1.5325 -1.5278 -1.1938 -1.1924 -0.2188 -0.2180 0.4739 0.4744 0.7177 0.7228 0.7926 0.8030 0.8825 0.8842 1.2303 1.2333 1.4171 1.4259 1.5375 1.5471 1.5826 1.5839 1.7493 1.7570 2.1008 2.1206 2.1581 2.1660 2.2458 2.2618 2.7533 2.7540 5.8175 5.8182 6.2923 6.2935 6.5510 6.5533 7.0094 7.0102 7.0675 7.0687 7.3609 7.3616 k = 0.0893 0.5000 0.3068 ( 8524 PWs) bands (ev): -12.4609 -12.4609 -12.3289 -12.3289 -10.2284 -10.2283 -9.7615 -9.7615 -9.3383 -9.3382 -9.1945 -9.1945 -9.1917 -9.1917 -9.1441 -9.1440 -5.3217 -5.3216 -4.7751 -4.7751 -2.1985 -2.1975 -2.1695 -2.1695 -2.0691 -2.0684 -2.0394 -2.0389 -1.6565 -1.6559 -1.6125 -1.6086 -1.5516 -1.5462 -1.1840 -1.1824 -0.2144 -0.2134 0.4876 0.4884 0.7443 0.7500 0.8117 0.8245 0.8604 0.8628 1.2204 1.2232 1.4283 1.4380 1.5364 1.5487 1.5881 1.5892 1.7474 1.7569 2.0913 2.1107 2.1567 2.1648 2.2660 2.2824 2.7468 2.7476 5.8095 5.8104 6.2700 6.2715 6.5482 6.5511 7.0162 7.0173 7.0619 7.0635 7.3374 7.3381 k = 0.1071 0.5000 0.3068 ( 8516 PWs) bands (ev): -12.4560 -12.4560 -12.3281 -12.3281 -10.2270 -10.2270 -9.7770 -9.7770 -9.3364 -9.3363 -9.1965 -9.1965 -9.1924 -9.1924 -9.1457 -9.1455 -5.3012 -5.3012 -4.7743 -4.7742 -2.2076 -2.2067 -2.1753 -2.1753 -2.0756 -2.0748 -2.0224 -2.0219 -1.6578 -1.6567 -1.6337 -1.6290 -1.5730 -1.5673 -1.1733 -1.1716 -0.2091 -0.2079 0.5038 0.5050 0.7754 0.7810 0.8335 0.8350 0.8402 0.8503 1.2075 1.2098 1.4422 1.4522 1.5358 1.5506 1.5947 1.5955 1.7453 1.7565 2.0831 2.1020 2.1544 2.1629 2.2871 2.3035 2.7390 2.7400 5.8004 5.8014 6.2442 6.2459 6.5451 6.5486 7.0241 7.0254 7.0550 7.0570 7.3113 7.3118 k = 0.1250 0.5000 0.3068 ( 8500 PWs) bands (ev): -12.4504 -12.4504 -12.3272 -12.3272 -10.2255 -10.2254 -9.7948 -9.7948 -9.3341 -9.3340 -9.1988 -9.1988 -9.1932 -9.1932 -9.1475 -9.1473 -5.2777 -5.2777 -4.7733 -4.7733 -2.2164 -2.2154 -2.1818 -2.1818 -2.0829 -2.0821 -2.0055 -2.0050 -1.6657 -1.6654 -1.6484 -1.6443 -1.5963 -1.5903 -1.1621 -1.1605 -0.2030 -0.2017 0.5221 0.5236 0.8020 0.8041 0.8139 0.8258 0.8619 0.8792 1.1920 1.1937 1.4579 1.4680 1.5360 1.5533 1.6024 1.6027 1.7433 1.7561 2.0764 2.0947 2.1513 2.1603 2.3086 2.3249 2.7299 2.7310 5.7907 5.7917 6.2155 6.2174 6.5416 6.5457 7.0324 7.0344 7.0470 7.0492 7.2828 7.2832 k = 0.1429 0.5000 0.3068 ( 8504 PWs) bands (ev): -12.4440 -12.4440 -12.3261 -12.3261 -10.2237 -10.2236 -9.8146 -9.8146 -9.3315 -9.3314 -9.2015 -9.2014 -9.1941 -9.1940 -9.1496 -9.1493 -5.2515 -5.2515 -4.7722 -4.7722 -2.2246 -2.2237 -2.1891 -2.1890 -2.0908 -2.0900 -1.9895 -1.9889 -1.6900 -1.6882 -1.6482 -1.6456 -1.6205 -1.6141 -1.1508 -1.1492 -0.1963 -0.1948 0.5422 0.5441 0.7760 0.7771 0.8500 0.8595 0.8919 0.9113 1.1744 1.1755 1.4750 1.4849 1.5373 1.5569 1.6107 1.6110 1.7413 1.7557 2.0711 2.0888 2.1471 2.1567 2.3301 2.3463 2.7198 2.7209 5.7806 5.7816 6.1846 6.1867 6.5380 6.5426 7.0342 7.0389 7.0445 7.0449 7.2522 7.2524 k = 0.1607 0.5000 0.3068 ( 8516 PWs) bands (ev): -12.4370 -12.4370 -12.3250 -12.3250 -10.2218 -10.2217 -9.8362 -9.8362 -9.3287 -9.3285 -9.2043 -9.2043 -9.1951 -9.1950 -9.1519 -9.1516 -5.2229 -5.2229 -4.7710 -4.7710 -2.2324 -2.2315 -2.1969 -2.1968 -2.0992 -2.0985 -1.9750 -1.9744 -1.7184 -1.7162 -1.6500 -1.6499 -1.6360 -1.6318 -1.1395 -1.1379 -0.1890 -0.1875 0.5640 0.5660 0.7431 0.7452 0.8907 0.8996 0.9250 0.9458 1.1554 1.1559 1.4928 1.5022 1.5401 1.5618 1.6195 1.6204 1.7396 1.7555 2.0672 2.0843 2.1418 2.1520 2.3515 2.3673 2.7085 2.7097 5.7707 5.7716 6.1521 6.1544 6.5342 6.5394 7.0235 7.0284 7.0532 7.0544 7.2197 7.2198 k = 0.1786 0.5000 0.3068 ( 8508 PWs) bands (ev): -12.4293 -12.4293 -12.3237 -12.3237 -10.2197 -10.2196 -9.8592 -9.8592 -9.3255 -9.3253 -9.2074 -9.2074 -9.1961 -9.1961 -9.1545 -9.1542 -5.1923 -5.1923 -4.7697 -4.7697 -2.2397 -2.2388 -2.2052 -2.2050 -2.1077 -2.1071 -1.9628 -1.9622 -1.7485 -1.7463 -1.6746 -1.6711 -1.6275 -1.6267 -1.1285 -1.1269 -0.1814 -0.1797 0.5871 0.5889 0.7077 0.7107 0.9327 0.9403 0.9610 0.9822 1.1357 1.1359 1.5109 1.5197 1.5449 1.5685 1.6288 1.6305 1.7384 1.7556 2.0647 2.0812 2.1353 2.1462 2.3723 2.3878 2.6963 2.6975 5.7611 5.7620 6.1189 6.1213 6.5304 6.5363 7.0099 7.0156 7.0626 7.0642 7.1853 7.1857 k = 0.1964 0.5000 0.3068 ( 8508 PWs) bands (ev): -12.4211 -12.4211 -12.3224 -12.3224 -10.2175 -10.2174 -9.8835 -9.8834 -9.3221 -9.3219 -9.2107 -9.2107 -9.1973 -9.1973 -9.1573 -9.1569 -5.1601 -5.1601 -4.7683 -4.7683 -2.2466 -2.2457 -2.2138 -2.2135 -2.1162 -2.1158 -1.9536 -1.9530 -1.7797 -1.7776 -1.7012 -1.6973 -1.6127 -1.6125 -1.1177 -1.1162 -0.1734 -0.1717 0.6111 0.6113 0.6701 0.6752 0.9748 0.9792 1.0002 1.0197 1.1160 1.1161 1.5289 1.5368 1.5525 1.5775 1.6387 1.6412 1.7379 1.7565 2.0634 2.0794 2.1276 2.1392 2.3923 2.4074 2.6831 2.6844 5.7524 5.7531 6.0853 6.0878 6.5268 6.5332 6.9942 7.0008 7.0714 7.0732 7.1495 7.1503 k = 0.2143 0.5000 0.3068 ( 8504 PWs) bands (ev): -12.4125 -12.4125 -12.3211 -12.3211 -10.2152 -10.2151 -9.9085 -9.9085 -9.3184 -9.3182 -9.2142 -9.2142 -9.1986 -9.1985 -9.1603 -9.1599 -5.1267 -5.1266 -4.7669 -4.7669 -2.2531 -2.2522 -2.2227 -2.2222 -2.1245 -2.1242 -1.9477 -1.9470 -1.8115 -1.8095 -1.7280 -1.7242 -1.5927 -1.5927 -1.1073 -1.1059 -0.1653 -0.1636 0.6180 0.6245 0.6416 0.6536 1.0155 1.0158 1.0409 1.0574 1.0971 1.0976 1.5467 1.5530 1.5637 1.5891 1.6490 1.6523 1.7386 1.7584 2.0631 2.0786 2.1186 2.1311 2.4113 2.4259 2.6692 2.6705 5.7447 5.7453 6.0520 6.0545 6.5234 6.5304 6.9762 6.9839 7.0776 7.0799 7.1126 7.1139 k = 0.2321 0.5000 0.3068 ( 8504 PWs) bands (ev): -12.4036 -12.4036 -12.3197 -12.3197 -10.2129 -10.2128 -9.9341 -9.9341 -9.3145 -9.3142 -9.2178 -9.2177 -9.1999 -9.1999 -9.1634 -9.1631 -5.0924 -5.0924 -4.7654 -4.7654 -2.2592 -2.2584 -2.2318 -2.2311 -2.1324 -2.1323 -1.9451 -1.9445 -1.8434 -1.8416 -1.7547 -1.7510 -1.5676 -1.5675 -1.0974 -1.0961 -0.1572 -0.1555 0.5829 0.5843 0.6646 0.6717 1.0489 1.0543 1.0715 1.0785 1.0910 1.0954 1.5642 1.5686 1.5789 1.6038 1.6596 1.6636 1.7411 1.7621 2.0635 2.0789 2.1085 2.1222 2.4289 2.4430 2.6546 2.6558 5.7383 5.7387 6.0193 6.0220 6.5205 6.5280 6.9559 6.9647 7.0722 7.0745 7.0796 7.0808 k = 0.2500 0.5000 0.3068 ( 8484 PWs) bands (ev): -12.3944 -12.3943 -12.3182 -12.3182 -10.2104 -10.2104 -9.9599 -9.9599 -9.3103 -9.3101 -9.2214 -9.2214 -9.2012 -9.2012 -9.1668 -9.1664 -5.0578 -5.0578 -4.7639 -4.7638 -2.2650 -2.2641 -2.2408 -2.2399 -2.1396 -2.1395 -1.9456 -1.9450 -1.8753 -1.8736 -1.7811 -1.7776 -1.5376 -1.5374 -1.0880 -1.0867 -0.1493 -0.1475 0.5381 0.5383 0.6914 0.6974 1.0593 1.0625 1.0813 1.0894 1.1253 1.1308 1.5813 1.5850 1.5968 1.6217 1.6703 1.6749 1.7461 1.7680 2.0642 2.0799 2.0974 2.1126 2.4448 2.4585 2.6394 2.6406 5.7334 5.7335 5.9878 5.9905 6.5180 6.5261 6.9332 6.9431 7.0363 7.0364 7.0569 7.0578 k = 0.2679 0.5000 0.3068 ( 8480 PWs) bands (ev): -12.3850 -12.3850 -12.3168 -12.3168 -10.2080 -10.2079 -9.9857 -9.9857 -9.3060 -9.3058 -9.2250 -9.2250 -9.2026 -9.2026 -9.1703 -9.1699 -5.0232 -5.0232 -4.7623 -4.7623 -2.2704 -2.2695 -2.2497 -2.2487 -2.1462 -2.1459 -1.9488 -1.9482 -1.9065 -1.9050 -1.8071 -1.8038 -1.5031 -1.5029 -1.0790 -1.0779 -0.1415 -0.1398 0.4894 0.4896 0.7189 0.7244 1.0461 1.0482 1.1089 1.1201 1.1612 1.1641 1.5983 1.6022 1.6175 1.6424 1.6811 1.6860 1.7545 1.7771 2.0644 2.0811 2.0856 2.1032 2.4590 2.4721 2.6238 2.6250 5.7300 5.7300 5.9577 5.9604 6.5162 6.5248 6.9084 6.9190 6.9970 6.9975 7.0152 7.0152 k = 0.2857 0.5000 0.3068 ( 8496 PWs) bands (ev): -12.3756 -12.3756 -12.3154 -12.3154 -10.2056 -10.2055 -10.0110 -10.0110 -9.3015 -9.3013 -9.2286 -9.2286 -9.2040 -9.2040 -9.1740 -9.1736 -4.9891 -4.9891 -4.7608 -4.7607 -2.2754 -2.2746 -2.2583 -2.2571 -2.1518 -2.1514 -1.9540 -1.9537 -1.9368 -1.9357 -1.8325 -1.8294 -1.4648 -1.4645 -1.0707 -1.0696 -0.1342 -0.1325 0.4379 0.4383 0.7467 0.7520 1.0342 1.0359 1.1333 1.1460 1.1931 1.1937 1.6150 1.6193 1.6419 1.6652 1.6922 1.6968 1.7673 1.7900 2.0625 2.0719 2.0838 2.0953 2.4711 2.4837 2.6079 2.6090 5.7280 5.7283 5.9294 5.9320 6.5152 6.5243 6.8814 6.8925 6.9554 6.9575 6.9686 6.9698 k = 0.3036 0.5000 0.3068 ( 8492 PWs) bands (ev): -12.3664 -12.3664 -12.3140 -12.3140 -10.2033 -10.2032 -10.0357 -10.0357 -9.2969 -9.2967 -9.2322 -9.2321 -9.2054 -9.2054 -9.1778 -9.1774 -4.9559 -4.9559 -4.7592 -4.7592 -2.2801 -2.2793 -2.2664 -2.2651 -2.1564 -2.1558 -1.9679 -1.9658 -1.9602 -1.9588 -1.8571 -1.8541 -1.4232 -1.4229 -1.0629 -1.0619 -0.1272 -0.1256 0.3843 0.3847 0.7748 0.7798 1.0243 1.0258 1.1542 1.1673 1.2186 1.2196 1.6314 1.6357 1.6696 1.6876 1.7054 1.7072 1.7854 1.8073 2.0567 2.0584 2.0857 2.0907 2.4810 2.4930 2.5919 2.5930 5.7277 5.7281 5.9030 5.9055 6.5152 6.5248 6.8526 6.8636 6.9106 6.9133 6.9275 6.9283 k = 0.3214 0.5000 0.3068 ( 8504 PWs) bands (ev): -12.3573 -12.3573 -12.3127 -12.3127 -10.2010 -10.2009 -10.0594 -10.0593 -9.2922 -9.2919 -9.2356 -9.2355 -9.2068 -9.2067 -9.1817 -9.1813 -4.9240 -4.9240 -4.7578 -4.7577 -2.2845 -2.2837 -2.2740 -2.2726 -2.1598 -2.1591 -1.9953 -1.9937 -1.9681 -1.9672 -1.8809 -1.8780 -1.3790 -1.3787 -1.0557 -1.0548 -0.1208 -0.1193 0.3289 0.3293 0.8027 0.8075 1.0165 1.0178 1.1717 1.1843 1.2381 1.2401 1.6476 1.6517 1.6988 1.7038 1.7180 1.7256 1.8091 1.8293 2.0444 2.0469 2.0875 2.0894 2.4885 2.4999 2.5760 2.5771 5.7288 5.7293 5.8787 5.8811 6.5162 6.5263 6.8224 6.8327 6.8656 6.8680 6.8902 6.8913 k = 0.3393 0.5000 0.3068 ( 8504 PWs) bands (ev): -12.3487 -12.3487 -12.3115 -12.3114 -10.1988 -10.1988 -10.0817 -10.0817 -9.2874 -9.2871 -9.2388 -9.2388 -9.2081 -9.2081 -9.1858 -9.1853 -4.8938 -4.8938 -4.7564 -4.7563 -2.2885 -2.2878 -2.2809 -2.2794 -2.1621 -2.1612 -2.0218 -2.0204 -1.9764 -1.9756 -1.9036 -1.9009 -1.3329 -1.3326 -1.0492 -1.0484 -0.1150 -0.1136 0.2723 0.2728 0.8305 0.8350 1.0107 1.0117 1.1859 1.1975 1.2520 1.2544 1.6633 1.6672 1.7144 1.7208 1.7367 1.7515 1.8378 1.8557 2.0302 2.0348 2.0889 2.0896 2.4937 2.5044 2.5604 2.5615 5.7312 5.7319 5.8567 5.8589 6.5184 6.5290 6.7914 6.8006 6.8227 6.8248 6.8542 6.8574 k = 0.3571 0.5000 0.3068 ( 8504 PWs) bands (ev): -12.3404 -12.3404 -12.3103 -12.3103 -10.1968 -10.1967 -10.1026 -10.1026 -9.2826 -9.2823 -9.2418 -9.2418 -9.2093 -9.2093 -9.1899 -9.1894 -4.8656 -4.8656 -4.7550 -4.7550 -2.2922 -2.2915 -2.2869 -2.2854 -2.1633 -2.1623 -2.0465 -2.0452 -1.9847 -1.9840 -1.9251 -1.9226 -1.2857 -1.2854 -1.0433 -1.0426 -0.1097 -0.1085 0.2155 0.2159 0.8577 0.8619 1.0065 1.0073 1.1973 1.2077 1.2604 1.2628 1.6787 1.6822 1.7231 1.7307 1.7671 1.7792 1.8703 1.8856 2.0159 2.0217 2.0897 2.0901 2.4964 2.5064 2.5454 2.5465 5.7347 5.7356 5.8370 5.8391 6.5220 6.5331 6.7602 6.7681 6.7831 6.7849 6.8200 6.8254 k = 0.3750 0.5000 0.3068 ( 8508 PWs) bands (ev): -12.3328 -12.3328 -12.3092 -12.3092 -10.1949 -10.1949 -10.1216 -10.1216 -9.2778 -9.2775 -9.2446 -9.2445 -9.2105 -9.2105 -9.1940 -9.1936 -4.8398 -4.8398 -4.7538 -4.7538 -2.2955 -2.2949 -2.2920 -2.2906 -2.1634 -2.1623 -2.0692 -2.0680 -1.9928 -1.9923 -1.9453 -1.9429 -1.2383 -1.2380 -1.0380 -1.0374 -0.1051 -0.1040 0.1592 0.1595 0.8841 0.8880 1.0038 1.0044 1.2063 1.2154 1.2639 1.2661 1.6934 1.6968 1.7306 1.7381 1.7988 1.8075 1.9046 1.9177 2.0020 2.0083 2.0895 2.0901 2.4969 2.5060 2.5313 2.5324 5.7391 5.7400 5.8196 5.8215 6.5271 6.5385 6.7298 6.7363 6.7473 6.7489 6.7877 6.7949 k = 0.3929 0.5000 0.3068 ( 8524 PWs) bands (ev): -12.3260 -12.3260 -12.3082 -12.3082 -10.1933 -10.1932 -10.1386 -10.1386 -9.2731 -9.2728 -9.2470 -9.2470 -9.2115 -9.2115 -9.1981 -9.1977 -4.8168 -4.8168 -4.7527 -4.7527 -2.2985 -2.2980 -2.2961 -2.2949 -2.1625 -2.1614 -2.0896 -2.0885 -2.0005 -2.0000 -1.9639 -1.9618 -1.1916 -1.1914 -1.0334 -1.0329 -0.1011 -0.1002 0.1046 0.1049 0.9093 0.9128 1.0023 1.0027 1.2134 1.2210 1.2633 1.2651 1.7074 1.7106 1.7374 1.7442 1.8298 1.8355 1.9390 1.9503 1.9886 1.9953 2.0883 2.0892 2.4953 2.5034 2.5183 2.5195 5.7439 5.7448 5.8046 5.8063 6.5337 6.5455 6.7009 6.7062 6.7156 6.7170 6.7571 6.7659 k = 0.4107 0.5000 0.3068 ( 8528 PWs) bands (ev): -12.3199 -12.3199 -12.3074 -12.3074 -10.1918 -10.1918 -10.1534 -10.1534 -9.2685 -9.2682 -9.2492 -9.2492 -9.2125 -9.2125 -9.2021 -9.2017 -4.7968 -4.7968 -4.7518 -4.7517 -2.3010 -2.3008 -2.2992 -2.2983 -2.1607 -2.1596 -2.1075 -2.1065 -2.0073 -2.0069 -1.9807 -1.9788 -1.1472 -1.1469 -1.0295 -1.0291 -0.0978 -0.0970 0.0531 0.0534 0.9329 0.9360 1.0016 1.0019 1.2190 1.2251 1.2596 1.2608 1.7205 1.7234 1.7432 1.7493 1.8590 1.8625 1.9695 1.9754 1.9824 1.9854 2.0860 2.0872 2.4920 2.4989 2.5068 2.5082 5.7489 5.7498 5.7921 5.7935 6.5420 6.5541 6.6748 6.6790 6.6882 6.6896 6.7283 6.7383 k = 0.4286 0.5000 0.3068 ( 8516 PWs) bands (ev): -12.3148 -12.3148 -12.3067 -12.3067 -10.1906 -10.1906 -10.1658 -10.1658 -9.2642 -9.2640 -9.2510 -9.2510 -9.2133 -9.2133 -9.2059 -9.2055 -4.7800 -4.7800 -4.7509 -4.7509 -2.3030 -2.3030 -2.3016 -2.3010 -2.1583 -2.1573 -2.1226 -2.1218 -2.0133 -2.0129 -1.9954 -1.9938 -1.1064 -1.1062 -1.0263 -1.0259 -0.0950 -0.0944 0.0065 0.0068 0.9543 0.9569 1.0016 1.0017 1.2232 1.2280 1.2538 1.2546 1.7323 1.7349 1.7482 1.7533 1.8857 1.8874 1.9646 1.9685 2.0051 2.0109 2.0827 2.0841 2.4877 2.4929 2.4969 2.4988 5.7537 5.7545 5.7819 5.7831 6.5520 6.5644 6.6524 6.6556 6.6653 6.6666 6.7013 6.7122 k = 0.4464 0.5000 0.3068 ( 8516 PWs) bands (ev): -12.3108 -12.3108 -12.3062 -12.3062 -10.1896 -10.1896 -10.1755 -10.1755 -9.2604 -9.2602 -9.2524 -9.2524 -9.2139 -9.2139 -9.2093 -9.2090 -4.7668 -4.7668 -4.7503 -4.7503 -2.3046 -2.3044 -2.3033 -2.3030 -2.1557 -2.1548 -2.1347 -2.1340 -2.0180 -2.0178 -2.0076 -2.0063 -1.0713 -1.0712 -1.0237 -1.0235 -0.0929 -0.0924 -0.0332 -0.0330 0.9727 0.9747 1.0018 1.0018 1.2265 1.2299 1.2472 1.2476 1.7425 1.7447 1.7523 1.7563 1.9087 1.9093 1.9551 1.9588 2.0305 2.0353 2.0787 2.0801 2.4831 2.4866 2.4890 2.4911 5.7579 5.7586 5.7740 5.7749 6.5639 6.5765 6.6345 6.6366 6.6471 6.6482 6.6762 6.6877 k = 0.4643 0.5000 0.3068 ( 8520 PWs) bands (ev): -12.3078 -12.3078 -12.3058 -12.3058 -10.1889 -10.1889 -10.1826 -10.1826 -9.2573 -9.2571 -9.2534 -9.2534 -9.2143 -9.2143 -9.2121 -9.2119 -4.7572 -4.7572 -4.7498 -4.7498 -2.3055 -2.3054 -2.3046 -2.3044 -2.1532 -2.1526 -2.1435 -2.1430 -2.0215 -2.0213 -2.0168 -2.0159 -1.0440 -1.0439 -1.0219 -1.0218 -0.0914 -0.0911 -0.0639 -0.0638 0.9872 0.9886 1.0020 1.0021 1.2290 1.2311 1.2410 1.2410 1.7505 1.7521 1.7555 1.7582 1.9268 1.9268 1.9480 1.9507 2.0506 2.0539 2.0746 2.0758 2.4794 2.4815 2.4830 2.4848 5.7612 5.7617 5.7685 5.7691 6.5776 6.5903 6.6215 6.6226 6.6337 6.6349 6.6530 6.6648 k = 0.4821 0.5000 0.3068 ( 8540 PWs) bands (ev): -12.3060 -12.3060 -12.3055 -12.3055 -10.1885 -10.1885 -10.1869 -10.1869 -9.2551 -9.2550 -9.2541 -9.2541 -9.2146 -9.2146 -9.2140 -9.2139 -4.7514 -4.7514 -4.7496 -4.7496 -2.3059 -2.3058 -2.3055 -2.3054 -2.1514 -2.1510 -2.1488 -2.1486 -2.0236 -2.0235 -2.0225 -2.0220 -1.0266 -1.0265 -1.0208 -1.0207 -0.0905 -0.0903 -0.0834 -0.0834 0.9968 0.9974 1.0021 1.0022 1.2311 1.2319 1.2360 1.2362 1.7558 1.7568 1.7576 1.7589 1.9384 1.9386 1.9437 1.9452 2.0639 2.0654 2.0715 2.0720 2.4773 2.4783 2.4791 2.4801 5.7634 5.7636 5.7652 5.7655 6.5932 6.6052 6.6139 6.6145 6.6245 6.6269 6.6327 6.6437 k = 0.5000 0.5000 0.3068 ( 8536 PWs) bands (ev): -12.3054 -12.3054 -12.3054 -12.3054 -10.1883 -10.1883 -10.1883 -10.1883 -9.2543 -9.2543 -9.2543 -9.2543 -9.2147 -9.2147 -9.2147 -9.2147 -4.7495 -4.7495 -4.7495 -4.7495 -2.3059 -2.3059 -2.3059 -2.3059 -2.1506 -2.1506 -2.1506 -2.1506 -2.0243 -2.0243 -2.0243 -2.0243 -1.0205 -1.0205 -1.0205 -1.0205 -0.0901 -0.0901 -0.0901 -0.0901 1.0012 1.0012 1.0012 1.0012 1.2331 1.2331 1.2331 1.2331 1.7584 1.7584 1.7584 1.7584 1.9427 1.9427 1.9427 1.9427 2.0696 2.0696 2.0696 2.0696 2.4775 2.4775 2.4775 2.4775 5.7642 5.7642 5.7642 5.7642 6.6103 6.6103 6.6103 6.6103 6.6246 6.6246 6.6246 6.6246 k = 0.5000 0.5000 0.3068 ( 8536 PWs) bands (ev): -12.3054 -12.3054 -12.3054 -12.3054 -10.1883 -10.1883 -10.1883 -10.1883 -9.2543 -9.2543 -9.2543 -9.2543 -9.2147 -9.2147 -9.2147 -9.2147 -4.7495 -4.7495 -4.7495 -4.7495 -2.3059 -2.3059 -2.3059 -2.3059 -2.1506 -2.1506 -2.1506 -2.1506 -2.0243 -2.0243 -2.0243 -2.0243 -1.0205 -1.0205 -1.0205 -1.0205 -0.0901 -0.0901 -0.0901 -0.0901 1.0012 1.0012 1.0012 1.0012 1.2331 1.2331 1.2331 1.2331 1.7584 1.7584 1.7584 1.7584 1.9427 1.9427 1.9427 1.9427 2.0696 2.0696 2.0696 2.0696 2.4775 2.4775 2.4775 2.4775 5.7642 5.7642 5.7642 5.7642 6.6103 6.6103 6.6103 6.6103 6.6246 6.6246 6.6246 6.6246 k = 0.4875 0.4875 0.3068 ( 8538 PWs) bands (ev): -12.3058 -12.3058 -12.3058 -12.3058 -10.1877 -10.1877 -10.1877 -10.1877 -9.2547 -9.2547 -9.2544 -9.2544 -9.2144 -9.2144 -9.2142 -9.2142 -4.7505 -4.7505 -4.7504 -4.7504 -2.3059 -2.3059 -2.3054 -2.3054 -2.1501 -2.1501 -2.1498 -2.1498 -2.0231 -2.0231 -2.0228 -2.0228 -1.0241 -1.0241 -1.0231 -1.0231 -0.0871 -0.0871 -0.0868 -0.0868 0.9977 0.9977 1.0016 1.0016 1.2317 1.2317 1.2359 1.2359 1.7563 1.7563 1.7583 1.7583 1.9406 1.9406 1.9423 1.9423 2.0659 2.0659 2.0706 2.0706 2.4777 2.4777 2.4797 2.4797 5.7642 5.7642 5.7646 5.7646 6.5995 6.5995 6.6126 6.6126 6.6258 6.6258 6.6392 6.6392 k = 0.4750 0.4750 0.3068 ( 8530 PWs) bands (ev): -12.3068 -12.3068 -12.3068 -12.3068 -10.1858 -10.1858 -10.1858 -10.1858 -9.2556 -9.2556 -9.2550 -9.2550 -9.2134 -9.2134 -9.2129 -9.2129 -4.7535 -4.7535 -4.7534 -4.7534 -2.3055 -2.3055 -2.3045 -2.3045 -2.1485 -2.1485 -2.1479 -2.1479 -2.0192 -2.0192 -2.0185 -2.0185 -1.0338 -1.0338 -1.0318 -1.0318 -0.0780 -0.0780 -0.0773 -0.0773 0.9912 0.9912 0.9988 0.9988 1.2315 1.2315 1.2396 1.2396 1.7522 1.7522 1.7559 1.7559 1.9360 1.9360 1.9393 1.9393 2.0598 2.0598 2.0692 2.0692 2.4801 2.4801 2.4841 2.4841 5.7646 5.7646 5.7654 5.7654 6.5922 6.5922 6.6052 6.6052 6.6438 6.6438 6.6574 6.6575 k = 0.4625 0.4625 0.3068 ( 8520 PWs) bands (ev): -12.3084 -12.3084 -12.3084 -12.3084 -10.1827 -10.1827 -10.1826 -10.1826 -9.2569 -9.2569 -9.2560 -9.2560 -9.2118 -9.2118 -9.2111 -9.2111 -4.7585 -4.7585 -4.7584 -4.7584 -2.3046 -2.3046 -2.3032 -2.3032 -2.1458 -2.1458 -2.1449 -2.1449 -2.0127 -2.0127 -2.0117 -2.0117 -1.0491 -1.0491 -1.0462 -1.0462 -0.0632 -0.0632 -0.0623 -0.0623 0.9825 0.9825 0.9933 0.9933 1.2323 1.2323 1.2437 1.2437 1.7460 1.7460 1.7511 1.7511 1.9281 1.9281 1.9332 1.9332 2.0522 2.0522 2.0663 2.0663 2.4845 2.4845 2.4902 2.4902 5.7654 5.7654 5.7666 5.7666 6.5886 6.5886 6.6014 6.6014 6.6654 6.6654 6.6790 6.6790 k = 0.4500 0.4500 0.3068 ( 8510 PWs) bands (ev): -12.3107 -12.3107 -12.3107 -12.3107 -10.1783 -10.1783 -10.1782 -10.1782 -9.2584 -9.2584 -9.2574 -9.2574 -9.2096 -9.2096 -9.2087 -9.2087 -4.7654 -4.7654 -4.7653 -4.7653 -2.3032 -2.3032 -2.3015 -2.3015 -2.1419 -2.1419 -2.1409 -2.1409 -2.0036 -2.0036 -2.0023 -2.0023 -1.0692 -1.0691 -1.0655 -1.0655 -0.0434 -0.0434 -0.0424 -0.0424 0.9720 0.9720 0.9855 0.9855 1.2335 1.2335 1.2478 1.2478 1.7378 1.7378 1.7439 1.7439 1.9166 1.9166 1.9235 1.9235 2.0448 2.0448 2.0631 2.0631 2.4904 2.4904 2.4976 2.4976 5.7666 5.7666 5.7681 5.7681 6.5886 6.5886 6.6011 6.6011 6.6901 6.6901 6.7037 6.7037 k = 0.4375 0.4375 0.3068 ( 8516 PWs) bands (ev): -12.3137 -12.3137 -12.3137 -12.3137 -10.1727 -10.1727 -10.1726 -10.1726 -9.2600 -9.2600 -9.2588 -9.2588 -9.2071 -9.2071 -9.2061 -9.2061 -4.7742 -4.7742 -4.7741 -4.7741 -2.3013 -2.3013 -2.2992 -2.2992 -2.1370 -2.1370 -2.1358 -2.1358 -1.9920 -1.9920 -1.9904 -1.9904 -1.0932 -1.0932 -1.0889 -1.0889 -0.0195 -0.0195 -0.0186 -0.0186 0.9605 0.9605 0.9761 0.9761 1.2345 1.2345 1.2510 1.2510 1.7278 1.7278 1.7341 1.7341 1.9011 1.9011 1.9097 1.9097 2.0389 2.0389 2.0607 2.0607 2.4972 2.4972 2.5057 2.5057 5.7679 5.7679 5.7698 5.7698 6.5923 6.5923 6.6043 6.6043 6.7178 6.7178 6.7313 6.7313 k = 0.4250 0.4250 0.3068 ( 8508 PWs) bands (ev): -12.3172 -12.3172 -12.3172 -12.3172 -10.1659 -10.1659 -10.1658 -10.1658 -9.2617 -9.2617 -9.2603 -9.2603 -9.2043 -9.2043 -9.2032 -9.2032 -4.7849 -4.7849 -4.7847 -4.7847 -2.2989 -2.2989 -2.2964 -2.2964 -2.1311 -2.1311 -2.1297 -2.1297 -1.9782 -1.9782 -1.9764 -1.9764 -1.1204 -1.1204 -1.1156 -1.1156 0.0075 0.0075 0.0083 0.0083 0.9485 0.9485 0.9659 0.9659 1.2347 1.2347 1.2530 1.2530 1.7158 1.7158 1.7218 1.7218 1.8816 1.8816 1.8917 1.8917 2.0354 2.0354 2.0600 2.0600 2.5045 2.5045 2.5140 2.5140 5.7695 5.7695 5.7718 5.7718 6.5995 6.5995 6.6110 6.6110 6.7480 6.7480 6.7613 6.7613 k = 0.4125 0.4125 0.3068 ( 8512 PWs) bands (ev): -12.3213 -12.3213 -12.3213 -12.3213 -10.1580 -10.1580 -10.1579 -10.1579 -9.2632 -9.2632 -9.2618 -9.2618 -9.2013 -9.2013 -9.2001 -9.2001 -4.7973 -4.7973 -4.7971 -4.7971 -2.2958 -2.2958 -2.2930 -2.2930 -2.1242 -2.1242 -2.1228 -2.1228 -1.9622 -1.9622 -1.9603 -1.9603 -1.1499 -1.1499 -1.1447 -1.1447 0.0366 0.0366 0.0374 0.0374 0.9367 0.9367 0.9555 0.9555 1.2335 1.2335 1.2531 1.2531 1.7019 1.7019 1.7071 1.7071 1.8588 1.8588 1.8703 1.8703 2.0345 2.0345 2.0610 2.0610 2.5117 2.5117 2.5221 2.5221 5.7713 5.7713 5.7739 5.7739 6.6099 6.6099 6.6209 6.6209 6.7803 6.7804 6.7935 6.7935 k = 0.4000 0.4000 0.3068 ( 8516 PWs) bands (ev): -12.3260 -12.3260 -12.3260 -12.3260 -10.1490 -10.1490 -10.1488 -10.1488 -9.2647 -9.2647 -9.2632 -9.2632 -9.1983 -9.1983 -9.1971 -9.1971 -4.8115 -4.8115 -4.8113 -4.8113 -2.2921 -2.2921 -2.2891 -2.2891 -2.1165 -2.1165 -2.1149 -2.1149 -1.9445 -1.9445 -1.9424 -1.9424 -1.1810 -1.1810 -1.1755 -1.1755 0.0671 0.0671 0.0682 0.0682 0.9255 0.9255 0.9455 0.9455 1.2305 1.2305 1.2511 1.2511 1.6860 1.6860 1.6898 1.6898 1.8335 1.8335 1.8464 1.8464 2.0361 2.0361 2.0638 2.0638 2.5186 2.5186 2.5297 2.5297 5.7733 5.7733 5.7762 5.7762 6.6233 6.6233 6.6338 6.6338 6.8144 6.8144 6.8274 6.8274 k = 0.3875 0.3875 0.3068 ( 8516 PWs) bands (ev): -12.3312 -12.3312 -12.3311 -12.3311 -10.1389 -10.1389 -10.1387 -10.1387 -9.2659 -9.2659 -9.2644 -9.2643 -9.1953 -9.1953 -9.1940 -9.1940 -4.8273 -4.8273 -4.8271 -4.8271 -2.2879 -2.2879 -2.2847 -2.2847 -2.1079 -2.1079 -2.1061 -2.1061 -1.9251 -1.9251 -1.9229 -1.9229 -1.2131 -1.2131 -1.2073 -1.2073 0.0983 0.0983 0.1000 0.1000 0.9153 0.9153 0.9363 0.9363 1.2253 1.2253 1.2466 1.2466 1.6680 1.6680 1.6704 1.6704 1.8067 1.8067 1.8212 1.8212 2.0395 2.0395 2.0680 2.0680 2.5249 2.5249 2.5365 2.5365 5.7755 5.7755 5.7787 5.7787 6.6393 6.6393 6.6494 6.6494 6.8495 6.8495 6.8623 6.8623 k = 0.3750 0.3750 0.3068 ( 8532 PWs) bands (ev): -12.3368 -12.3368 -12.3368 -12.3368 -10.1277 -10.1277 -10.1275 -10.1275 -9.2670 -9.2670 -9.2653 -9.2653 -9.1923 -9.1923 -9.1910 -9.1910 -4.8447 -4.8447 -4.8444 -4.8444 -2.2830 -2.2830 -2.2796 -2.2796 -2.0984 -2.0984 -2.0965 -2.0965 -1.9044 -1.9044 -1.9021 -1.9021 -1.2456 -1.2456 -1.2397 -1.2397 0.1295 0.1295 0.1321 0.1321 0.9065 0.9065 0.9284 0.9284 1.2176 1.2176 1.2393 1.2393 1.6471 1.6471 1.6498 1.6498 1.7794 1.7794 1.7956 1.7956 2.0445 2.0445 2.0735 2.0735 2.5303 2.5303 2.5424 2.5424 5.7779 5.7779 5.7814 5.7814 6.6577 6.6577 6.6673 6.6673 6.8851 6.8851 6.8977 6.8977 k = 0.3625 0.3625 0.3068 ( 8520 PWs) bands (ev): -12.3429 -12.3429 -12.3428 -12.3428 -10.1157 -10.1157 -10.1155 -10.1155 -9.2678 -9.2678 -9.2661 -9.2661 -9.1894 -9.1894 -9.1881 -9.1881 -4.8635 -4.8635 -4.8632 -4.8632 -2.2776 -2.2776 -2.2741 -2.2741 -2.0881 -2.0881 -2.0860 -2.0860 -1.8826 -1.8826 -1.8802 -1.8802 -1.2780 -1.2780 -1.2721 -1.2721 0.1606 0.1606 0.1641 0.1641 0.8993 0.8993 0.9220 0.9220 1.2073 1.2073 1.2292 1.2292 1.6235 1.6235 1.6281 1.6281 1.7522 1.7522 1.7703 1.7703 2.0506 2.0507 2.0800 2.0800 2.5348 2.5349 2.5472 2.5472 5.7806 5.7806 5.7844 5.7844 6.6781 6.6781 6.6872 6.6872 6.9203 6.9203 6.9327 6.9327 k = 0.3500 0.3500 0.3068 ( 8514 PWs) bands (ev): -12.3493 -12.3493 -12.3493 -12.3493 -10.1027 -10.1027 -10.1025 -10.1025 -9.2683 -9.2683 -9.2666 -9.2666 -9.1867 -9.1867 -9.1853 -9.1853 -4.8837 -4.8837 -4.8834 -4.8834 -2.2717 -2.2717 -2.2680 -2.2680 -2.0770 -2.0770 -2.0747 -2.0747 -1.8601 -1.8601 -1.8576 -1.8576 -1.3101 -1.3101 -1.3042 -1.3042 0.1911 0.1912 0.1956 0.1956 0.8939 0.8939 0.9173 0.9173 1.1943 1.1943 1.2161 1.2161 1.5982 1.5982 1.6051 1.6051 1.7259 1.7259 1.7458 1.7458 2.0575 2.0575 2.0870 2.0870 2.5384 2.5384 2.5509 2.5509 5.7837 5.7837 5.7878 5.7878 6.7001 6.7001 6.7088 6.7088 6.9544 6.9544 6.9665 6.9665 k = 0.3375 0.3375 0.3068 ( 8508 PWs) bands (ev): -12.3561 -12.3561 -12.3561 -12.3561 -10.0889 -10.0889 -10.0886 -10.0886 -9.2686 -9.2686 -9.2668 -9.2668 -9.1841 -9.1841 -9.1827 -9.1827 -4.9051 -4.9051 -4.9048 -4.9048 -2.2653 -2.2653 -2.2615 -2.2615 -2.0651 -2.0651 -2.0625 -2.0625 -1.8371 -1.8371 -1.8345 -1.8345 -1.3416 -1.3416 -1.3358 -1.3358 0.2211 0.2211 0.2266 0.2266 0.8903 0.8903 0.9144 0.9144 1.1786 1.1786 1.2000 1.2000 1.5720 1.5720 1.5809 1.5809 1.7007 1.7007 1.7223 1.7223 2.0647 2.0647 2.0943 2.0943 2.5409 2.5409 2.5535 2.5535 5.7872 5.7872 5.7917 5.7917 6.7233 6.7233 6.7316 6.7316 6.9864 6.9864 6.9983 6.9983 k = 0.3250 0.3250 0.3068 ( 8502 PWs) bands (ev): -12.3632 -12.3632 -12.3631 -12.3631 -10.0743 -10.0743 -10.0741 -10.0741 -9.2686 -9.2686 -9.2667 -9.2667 -9.1817 -9.1817 -9.1803 -9.1803 -4.9276 -4.9276 -4.9274 -4.9274 -2.2584 -2.2584 -2.2546 -2.2546 -2.0525 -2.0525 -2.0496 -2.0496 -1.8138 -1.8138 -1.8111 -1.8111 -1.3723 -1.3723 -1.3666 -1.3666 0.2503 0.2503 0.2570 0.2570 0.8886 0.8886 0.9131 0.9131 1.1601 1.1601 1.1810 1.1810 1.5457 1.5457 1.5562 1.5562 1.6767 1.6767 1.6998 1.6998 2.0721 2.0721 2.1016 2.1016 2.5424 2.5424 2.5551 2.5551 5.7913 5.7913 5.7960 5.7960 6.7474 6.7474 6.7555 6.7555 7.0156 7.0156 7.0274 7.0274 k = 0.3125 0.3125 0.3068 ( 8514 PWs) bands (ev): -12.3705 -12.3705 -12.3705 -12.3705 -10.0591 -10.0591 -10.0588 -10.0588 -9.2683 -9.2683 -9.2664 -9.2664 -9.1796 -9.1796 -9.1782 -9.1782 -4.9512 -4.9512 -4.9510 -4.9510 -2.2512 -2.2512 -2.2472 -2.2472 -2.0390 -2.0390 -2.0359 -2.0359 -1.7907 -1.7907 -1.7878 -1.7878 -1.4019 -1.4019 -1.3964 -1.3964 0.2790 0.2790 0.2867 0.2867 0.8884 0.8884 0.9133 0.9133 1.1391 1.1391 1.1592 1.1592 1.5199 1.5199 1.5315 1.5316 1.6539 1.6539 1.6783 1.6783 2.0791 2.0791 2.1087 2.1087 2.5430 2.5430 2.5557 2.5557 5.7958 5.7958 5.8008 5.8008 6.7720 6.7720 6.7799 6.7799 7.0415 7.0415 7.0530 7.0531 k = 0.3000 0.3000 0.3068 ( 8514 PWs) bands (ev): -12.3780 -12.3780 -12.3780 -12.3780 -10.0432 -10.0432 -10.0429 -10.0429 -9.2677 -9.2677 -9.2658 -9.2658 -9.1777 -9.1777 -9.1762 -9.1762 -4.9757 -4.9757 -4.9754 -4.9754 -2.2435 -2.2435 -2.2395 -2.2395 -2.0249 -2.0249 -2.0215 -2.0215 -1.7678 -1.7678 -1.7649 -1.7649 -1.4305 -1.4305 -1.4252 -1.4252 0.3073 0.3073 0.3161 0.3161 0.8896 0.8896 0.9148 0.9148 1.1157 1.1157 1.1347 1.1347 1.4952 1.4952 1.5076 1.5076 1.6322 1.6322 1.6577 1.6577 2.0857 2.0857 2.1151 2.1151 2.5428 2.5428 2.5553 2.5553 5.8010 5.8010 5.8062 5.8062 6.7969 6.7969 6.8047 6.8047 7.0637 7.0637 7.0751 7.0751 k = 0.2875 0.2875 0.3068 ( 8510 PWs) bands (ev): -12.3856 -12.3856 -12.3856 -12.3856 -10.0268 -10.0268 -10.0265 -10.0265 -9.2669 -9.2669 -9.2649 -9.2649 -9.1761 -9.1761 -9.1746 -9.1746 -5.0009 -5.0009 -5.0007 -5.0007 -2.2355 -2.2355 -2.2315 -2.2315 -2.0100 -2.0100 -2.0063 -2.0063 -1.7456 -1.7456 -1.7424 -1.7424 -1.4579 -1.4579 -1.4530 -1.4530 0.3354 0.3354 0.3453 0.3453 0.8918 0.8918 0.9170 0.9170 1.0903 1.0903 1.1079 1.1079 1.4721 1.4721 1.4851 1.4851 1.6114 1.6114 1.6380 1.6380 2.0914 2.0914 2.1207 2.1207 2.5418 2.5418 2.5542 2.5542 5.8067 5.8067 5.8121 5.8121 6.8216 6.8216 6.8294 6.8294 7.0824 7.0824 7.0936 7.0936 k = 0.2750 0.2750 0.3068 ( 8504 PWs) bands (ev): -12.3933 -12.3933 -12.3933 -12.3933 -10.0100 -10.0100 -10.0097 -10.0097 -9.2658 -9.2658 -9.2638 -9.2638 -9.1747 -9.1747 -9.1732 -9.1732 -5.0268 -5.0268 -5.0265 -5.0265 -2.2272 -2.2272 -2.2232 -2.2232 -1.9945 -1.9945 -1.9905 -1.9905 -1.7242 -1.7242 -1.7207 -1.7207 -1.4842 -1.4842 -1.4796 -1.4796 0.3638 0.3638 0.3745 0.3745 0.8944 0.8944 0.9195 0.9195 1.0634 1.0634 1.0793 1.0793 1.4510 1.4510 1.4642 1.4642 1.5915 1.5915 1.6191 1.6191 2.0960 2.0960 2.1252 2.1252 2.5402 2.5402 2.5523 2.5523 5.8129 5.8129 5.8186 5.8186 6.8460 6.8460 6.8538 6.8538 7.0979 7.0979 7.1089 7.1089 k = 0.2625 0.2625 0.3068 ( 8496 PWs) bands (ev): -12.4011 -12.4011 -12.4011 -12.4011 -9.9928 -9.9928 -9.9925 -9.9925 -9.2645 -9.2645 -9.2624 -9.2624 -9.1736 -9.1736 -9.1720 -9.1720 -5.0532 -5.0532 -5.0529 -5.0529 -2.2185 -2.2185 -2.2145 -2.2145 -1.9783 -1.9783 -1.9741 -1.9741 -1.7039 -1.7039 -1.7000 -1.7000 -1.5092 -1.5092 -1.5051 -1.5051 0.3925 0.3925 0.4042 0.4042 0.8969 0.8969 0.9214 0.9214 1.0358 1.0358 1.0495 1.0495 1.4321 1.4321 1.4453 1.4453 1.5724 1.5724 1.6010 1.6011 2.0993 2.0993 2.1283 2.1284 2.5382 2.5382 2.5499 2.5499 5.8195 5.8195 5.8254 5.8254 6.8697 6.8697 6.8776 6.8776 7.1107 7.1107 7.1216 7.1216 k = 0.2500 0.2500 0.3068 ( 8506 PWs) bands (ev): -12.4089 -12.4089 -12.4089 -12.4089 -9.9754 -9.9754 -9.9751 -9.9751 -9.2629 -9.2629 -9.2608 -9.2608 -9.1728 -9.1728 -9.1712 -9.1712 -5.0798 -5.0798 -5.0796 -5.0796 -2.2096 -2.2096 -2.2056 -2.2056 -1.9615 -1.9615 -1.9570 -1.9570 -1.6849 -1.6849 -1.6807 -1.6807 -1.5330 -1.5330 -1.5293 -1.5293 0.4221 0.4221 0.4345 0.4345 0.8981 0.8981 0.9216 0.9216 1.0087 1.0087 1.0196 1.0196 1.4154 1.4154 1.4285 1.4285 1.5541 1.5541 1.5839 1.5839 2.1010 2.1010 2.1299 2.1299 2.5357 2.5357 2.5470 2.5470 5.8265 5.8265 5.8325 5.8325 6.8926 6.8926 6.9006 6.9006 7.1213 7.1213 7.1321 7.1321 k = 0.2375 0.2375 0.3068 ( 8494 PWs) bands (ev): -12.4166 -12.4166 -12.4166 -12.4166 -9.9578 -9.9578 -9.9575 -9.9575 -9.2612 -9.2612 -9.2590 -9.2590 -9.1723 -9.1723 -9.1707 -9.1707 -5.1067 -5.1067 -5.1065 -5.1065 -2.2003 -2.2003 -2.1964 -2.1964 -1.9443 -1.9443 -1.9395 -1.9395 -1.6679 -1.6679 -1.6629 -1.6629 -1.5553 -1.5553 -1.5521 -1.5521 0.4525 0.4525 0.4657 0.4657 0.8962 0.8962 0.9179 0.9179 0.9838 0.9838 0.9923 0.9923 1.4006 1.4006 1.4136 1.4136 1.5369 1.5369 1.5679 1.5679 2.1009 2.1009 2.1297 2.1297 2.5330 2.5330 2.5438 2.5438 5.8336 5.8336 5.8397 5.8397 6.9143 6.9143 6.9224 6.9224 7.1302 7.1302 7.1409 7.1409 k = 0.2250 0.2250 0.3068 ( 8488 PWs) bands (ev): -12.4242 -12.4242 -12.4242 -12.4242 -9.9402 -9.9402 -9.9399 -9.9399 -9.2592 -9.2592 -9.2570 -9.2570 -9.1721 -9.1721 -9.1704 -9.1704 -5.1336 -5.1336 -5.1333 -5.1333 -2.1908 -2.1908 -2.1869 -2.1869 -1.9265 -1.9265 -1.9214 -1.9214 -1.6538 -1.6538 -1.6476 -1.6476 -1.5756 -1.5756 -1.5725 -1.5725 0.4841 0.4841 0.4980 0.4980 0.8874 0.8874 0.9075 0.9075 0.9620 0.9620 0.9739 0.9739 1.3876 1.3876 1.4003 1.4003 1.5211 1.5211 1.5531 1.5531 2.0989 2.0989 2.1275 2.1275 2.5301 2.5301 2.5404 2.5404 5.8407 5.8407 5.8469 5.8469 6.9348 6.9348 6.9431 6.9431 7.1377 7.1377 7.1480 7.1480 k = 0.2125 0.2125 0.3068 ( 8500 PWs) bands (ev): -12.4317 -12.4317 -12.4317 -12.4317 -9.9226 -9.9226 -9.9223 -9.9223 -9.2570 -9.2570 -9.2548 -9.2548 -9.1722 -9.1722 -9.1704 -9.1704 -5.1603 -5.1603 -5.1601 -5.1601 -2.1809 -2.1809 -2.1771 -2.1771 -1.9084 -1.9084 -1.9029 -1.9029 -1.6454 -1.6454 -1.6374 -1.6374 -1.5917 -1.5917 -1.5877 -1.5877 0.5168 0.5168 0.5315 0.5315 0.8688 0.8688 0.8882 0.8882 0.9477 0.9477 0.9655 0.9655 1.3758 1.3758 1.3882 1.3882 1.5069 1.5069 1.5401 1.5401 2.0947 2.0947 2.1232 2.1232 2.5272 2.5272 2.5369 2.5369 5.8475 5.8475 5.8538 5.8538 6.9540 6.9540 6.9623 6.9623 7.1440 7.1440 7.1537 7.1537 k = 0.2000 0.2000 0.3068 ( 8496 PWs) bands (ev): -12.4390 -12.4390 -12.4390 -12.4390 -9.9052 -9.9052 -9.9048 -9.9048 -9.2547 -9.2547 -9.2524 -9.2524 -9.1725 -9.1725 -9.1707 -9.1707 -5.1867 -5.1867 -5.1865 -5.1865 -2.1707 -2.1707 -2.1670 -2.1670 -1.8899 -1.8899 -1.8841 -1.8841 -1.6477 -1.6477 -1.6395 -1.6395 -1.5970 -1.5970 -1.5923 -1.5923 0.5506 0.5506 0.5660 0.5660 0.8434 0.8434 0.8618 0.8618 0.9419 0.9419 0.9623 0.9623 1.3646 1.3646 1.3766 1.3766 1.4950 1.4950 1.5291 1.5291 2.0884 2.0884 2.1167 2.1167 2.5243 2.5243 2.5335 2.5335 5.8540 5.8540 5.8602 5.8602 6.9718 6.9718 6.9800 6.9800 7.1493 7.1493 7.1580 7.1580 k = 0.1875 0.1875 0.3068 ( 8492 PWs) bands (ev): -12.4460 -12.4460 -12.4460 -12.4460 -9.8880 -9.8880 -9.8877 -9.8877 -9.2523 -9.2523 -9.2499 -9.2499 -9.1731 -9.1731 -9.1712 -9.1712 -5.2127 -5.2127 -5.2124 -5.2124 -2.1602 -2.1602 -2.1566 -2.1566 -1.8711 -1.8711 -1.8650 -1.8650 -1.6604 -1.6604 -1.6539 -1.6539 -1.5914 -1.5914 -1.5872 -1.5872 0.5852 0.5852 0.6015 0.6015 0.8153 0.8153 0.8327 0.8327 0.9404 0.9404 0.9613 0.9613 1.3532 1.3532 1.3650 1.3650 1.4857 1.4857 1.5206 1.5206 2.0797 2.0797 2.1079 2.1079 2.5215 2.5215 2.5302 2.5302 5.8597 5.8597 5.8658 5.8658 6.9881 6.9881 6.9961 6.9961 7.1538 7.1538 7.1611 7.1611 k = 0.1750 0.1750 0.3068 ( 8492 PWs) bands (ev): -12.4528 -12.4528 -12.4528 -12.4528 -9.8712 -9.8712 -9.8709 -9.8709 -9.2497 -9.2497 -9.2473 -9.2473 -9.1740 -9.1740 -9.1720 -9.1720 -5.2379 -5.2379 -5.2377 -5.2377 -2.1493 -2.1493 -2.1458 -2.1458 -1.8523 -1.8523 -1.8457 -1.8457 -1.6775 -1.6775 -1.6721 -1.6721 -1.5829 -1.5829 -1.5788 -1.5788 0.6198 0.6198 0.6372 0.6372 0.7872 0.7872 0.8038 0.8038 0.9409 0.9409 0.9613 0.9613 1.3411 1.3411 1.3527 1.3527 1.4795 1.4795 1.5149 1.5149 2.0687 2.0687 2.0968 2.0969 2.5189 2.5189 2.5270 2.5270 5.8644 5.8644 5.8704 5.8704 7.0029 7.0029 7.0107 7.0107 7.1579 7.1579 7.1636 7.1636 k = 0.1625 0.1625 0.3068 ( 8484 PWs) bands (ev): -12.4593 -12.4593 -12.4593 -12.4593 -9.8549 -9.8549 -9.8545 -9.8545 -9.2471 -9.2471 -9.2447 -9.2447 -9.1751 -9.1751 -9.1731 -9.1731 -5.2624 -5.2624 -5.2622 -5.2622 -2.1381 -2.1381 -2.1347 -2.1347 -1.8336 -1.8336 -1.8263 -1.8263 -1.6958 -1.6958 -1.6910 -1.6910 -1.5747 -1.5747 -1.5702 -1.5702 0.6523 0.6523 0.6715 0.6715 0.7613 0.7613 0.7782 0.7782 0.9424 0.9425 0.9618 0.9618 1.3277 1.3277 1.3396 1.3396 1.4766 1.4766 1.5123 1.5123 2.0554 2.0554 2.0834 2.0834 2.5165 2.5165 2.5241 2.5241 5.8681 5.8681 5.8739 5.8739 7.0159 7.0159 7.0234 7.0234 7.1626 7.1626 7.1664 7.1664 k = 0.1500 0.1500 0.3068 ( 8508 PWs) bands (ev): -12.4655 -12.4655 -12.4654 -12.4654 -9.8392 -9.8392 -9.8388 -9.8388 -9.2444 -9.2444 -9.2419 -9.2419 -9.1764 -9.1764 -9.1744 -9.1744 -5.2858 -5.2858 -5.2856 -5.2856 -2.1265 -2.1265 -2.1233 -2.1233 -1.8153 -1.8152 -1.8071 -1.8071 -1.7145 -1.7145 -1.7095 -1.7095 -1.5674 -1.5674 -1.5626 -1.5626 0.6759 0.6759 0.6964 0.6964 0.7456 0.7456 0.7634 0.7634 0.9450 0.9450 0.9628 0.9628 1.3131 1.3131 1.3254 1.3254 1.4767 1.4767 1.5126 1.5126 2.0397 2.0397 2.0677 2.0677 2.5143 2.5143 2.5214 2.5214 5.8706 5.8706 5.8761 5.8761 7.0270 7.0270 7.0340 7.0340 7.1685 7.1685 7.1710 7.1710 k = 0.1375 0.1375 0.3068 ( 8506 PWs) bands (ev): -12.4712 -12.4712 -12.4712 -12.4712 -9.8241 -9.8241 -9.8238 -9.8238 -9.2417 -9.2417 -9.2392 -9.2392 -9.1779 -9.1779 -9.1758 -9.1758 -5.3081 -5.3081 -5.3079 -5.3079 -2.1146 -2.1146 -2.1115 -2.1115 -1.7983 -1.7983 -1.7886 -1.7886 -1.7327 -1.7327 -1.7264 -1.7264 -1.5616 -1.5616 -1.5564 -1.5564 0.6764 0.6764 0.6913 0.6913 0.7594 0.7594 0.7746 0.7746 0.9486 0.9486 0.9644 0.9645 1.2973 1.2973 1.3103 1.3103 1.4798 1.4798 1.5157 1.5157 2.0219 2.0219 2.0498 2.0498 2.5124 2.5124 2.5189 2.5189 5.8717 5.8717 5.8769 5.8769 7.0355 7.0355 7.0421 7.0421 7.1767 7.1767 7.1792 7.1792 k = 0.1250 0.1250 0.3068 ( 8510 PWs) bands (ev): -12.4766 -12.4766 -12.4766 -12.4766 -9.8100 -9.8100 -9.8097 -9.8097 -9.2389 -9.2389 -9.2364 -9.2364 -9.1796 -9.1796 -9.1775 -9.1775 -5.3291 -5.3291 -5.3289 -5.3289 -2.1023 -2.1023 -2.0993 -2.0993 -1.7861 -1.7861 -1.7735 -1.7735 -1.7476 -1.7476 -1.7382 -1.7382 -1.5572 -1.5572 -1.5517 -1.5517 0.6597 0.6597 0.6708 0.6708 0.7892 0.7892 0.8042 0.8042 0.9536 0.9536 0.9670 0.9670 1.2806 1.2806 1.2944 1.2944 1.4853 1.4853 1.5214 1.5214 2.0019 2.0019 2.0298 2.0298 2.5107 2.5107 2.5168 2.5168 5.8715 5.8715 5.8764 5.8764 7.0414 7.0414 7.0473 7.0473 7.1886 7.1886 7.1920 7.1920 k = 0.1125 0.1125 0.3068 ( 8504 PWs) bands (ev): -12.4816 -12.4816 -12.4816 -12.4816 -9.7967 -9.7967 -9.7964 -9.7964 -9.2361 -9.2361 -9.2336 -9.2336 -9.1815 -9.1815 -9.1793 -9.1793 -5.3486 -5.3486 -5.3484 -5.3484 -2.0897 -2.0897 -2.0869 -2.0869 -1.7868 -1.7868 -1.7775 -1.7774 -1.7441 -1.7441 -1.7365 -1.7364 -1.5545 -1.5545 -1.5487 -1.5487 0.6390 0.6390 0.6483 0.6483 0.8216 0.8216 0.8374 0.8374 0.9605 0.9605 0.9709 0.9709 1.2635 1.2635 1.2779 1.2779 1.4931 1.4931 1.5292 1.5292 1.9801 1.9801 2.0079 2.0079 2.5093 2.5093 2.5149 2.5149 5.8702 5.8702 5.8747 5.8747 7.0446 7.0446 7.0498 7.0498 7.2054 7.2054 7.2096 7.2096 k = 0.1000 0.1000 0.3068 ( 8504 PWs) bands (ev): -12.4861 -12.4861 -12.4861 -12.4861 -9.7845 -9.7845 -9.7842 -9.7842 -9.2333 -9.2333 -9.2308 -9.2308 -9.1834 -9.1834 -9.1812 -9.1812 -5.3664 -5.3664 -5.3663 -5.3663 -2.0768 -2.0768 -2.0742 -2.0742 -1.7991 -1.7991 -1.7939 -1.7939 -1.7285 -1.7285 -1.7227 -1.7227 -1.5534 -1.5534 -1.5473 -1.5473 0.6186 0.6186 0.6268 0.6268 0.8524 0.8524 0.8695 0.8695 0.9697 0.9697 0.9770 0.9770 1.2462 1.2462 1.2612 1.2612 1.5030 1.5030 1.5391 1.5391 1.9566 1.9566 1.9843 1.9843 2.5082 2.5082 2.5132 2.5132 5.8678 5.8678 5.8719 5.8719 7.0455 7.0455 7.0501 7.0501 7.2271 7.2271 7.2318 7.2318 k = 0.0875 0.0875 0.3068 ( 8498 PWs) bands (ev): -12.4901 -12.4901 -12.4901 -12.4901 -9.7734 -9.7734 -9.7732 -9.7732 -9.2306 -9.2306 -9.2281 -9.2281 -9.1854 -9.1854 -9.1833 -9.1833 -5.3825 -5.3825 -5.3824 -5.3824 -2.0637 -2.0637 -2.0612 -2.0612 -1.8149 -1.8149 -1.8115 -1.8115 -1.7114 -1.7114 -1.7057 -1.7057 -1.5539 -1.5539 -1.5476 -1.5476 0.5998 0.5998 0.6069 0.6069 0.8795 0.8795 0.8980 0.8980 0.9809 0.9809 0.9871 0.9871 1.2291 1.2291 1.2445 1.2445 1.5148 1.5148 1.5506 1.5506 1.9318 1.9318 1.9593 1.9593 2.5073 2.5073 2.5118 2.5118 5.8647 5.8647 5.8683 5.8683 7.0449 7.0449 7.0487 7.0487 7.2532 7.2532 7.2582 7.2582 k = 0.0750 0.0750 0.3068 ( 8506 PWs) bands (ev): -12.4936 -12.4936 -12.4936 -12.4936 -9.7636 -9.7636 -9.7634 -9.7634 -9.2280 -9.2280 -9.2255 -9.2255 -9.1875 -9.1875 -9.1854 -9.1854 -5.3968 -5.3968 -5.3967 -5.3967 -2.0504 -2.0504 -2.0481 -2.0481 -1.8316 -1.8315 -1.8291 -1.8291 -1.6942 -1.6942 -1.6881 -1.6881 -1.5561 -1.5561 -1.5496 -1.5496 0.5831 0.5831 0.5891 0.5891 0.9015 0.9015 0.9210 0.9210 0.9939 0.9939 1.0027 1.0027 1.2126 1.2126 1.2280 1.2280 1.5284 1.5284 1.5635 1.5635 1.9062 1.9062 1.9333 1.9333 2.5067 2.5067 2.5106 2.5106 5.8611 5.8611 5.8642 5.8642 7.0434 7.0434 7.0464 7.0464 7.2827 7.2827 7.2880 7.2880 k = 0.0625 0.0625 0.3068 ( 8512 PWs) bands (ev): -12.4966 -12.4966 -12.4966 -12.4966 -9.7552 -9.7552 -9.7550 -9.7550 -9.2254 -9.2254 -9.2231 -9.2231 -9.1895 -9.1895 -9.1875 -9.1875 -5.4090 -5.4090 -5.4089 -5.4089 -2.0371 -2.0371 -2.0350 -2.0350 -1.8480 -1.8480 -1.8462 -1.8462 -1.6772 -1.6772 -1.6709 -1.6709 -1.5599 -1.5599 -1.5533 -1.5533 0.5687 0.5687 0.5737 0.5737 0.9183 0.9183 0.9375 0.9375 1.0101 1.0101 1.0215 1.0215 1.1970 1.1970 1.2121 1.2121 1.5437 1.5437 1.5775 1.5775 1.8804 1.8804 1.9068 1.9068 2.5062 2.5062 2.5095 2.5095 5.8574 5.8574 5.8600 5.8600 7.0414 7.0414 7.0438 7.0438 7.3141 7.3141 7.3195 7.3195 k = 0.0500 0.0500 0.3068 ( 8492 PWs) bands (ev): -12.4991 -12.4991 -12.4991 -12.4991 -9.7481 -9.7481 -9.7480 -9.7480 -9.2230 -9.2230 -9.2209 -9.2209 -9.1914 -9.1914 -9.1895 -9.1895 -5.4192 -5.4192 -5.4191 -5.4191 -2.0240 -2.0240 -2.0221 -2.0221 -1.8639 -1.8639 -1.8624 -1.8624 -1.6608 -1.6608 -1.6543 -1.6543 -1.5653 -1.5653 -1.5586 -1.5586 0.5568 0.5568 0.5608 0.5608 0.9312 0.9312 0.9482 0.9482 1.0286 1.0286 1.0409 1.0409 1.1827 1.1827 1.1970 1.1970 1.5603 1.5603 1.5919 1.5919 1.8555 1.8555 1.8806 1.8806 2.5060 2.5060 2.5086 2.5086 5.8539 5.8539 5.8560 5.8560 7.0393 7.0393 7.0411 7.0411 7.3445 7.3445 7.3498 7.3498 k = 0.0375 0.0375 0.3068 ( 8492 PWs) bands (ev): -12.5010 -12.5010 -12.5010 -12.5010 -9.7425 -9.7425 -9.7424 -9.7424 -9.2208 -9.2208 -9.2190 -9.2190 -9.1931 -9.1931 -9.1914 -9.1914 -5.4271 -5.4271 -5.4271 -5.4271 -2.0116 -2.0116 -2.0099 -2.0099 -1.8785 -1.8785 -1.8773 -1.8773 -1.6452 -1.6452 -1.6386 -1.6386 -1.5723 -1.5722 -1.5654 -1.5654 0.5475 0.5475 0.5505 0.5505 0.9411 0.9411 0.9548 0.9548 1.0469 1.0469 1.0585 1.0585 1.1702 1.1702 1.1831 1.1831 1.5777 1.5777 1.6055 1.6055 1.8331 1.8331 1.8555 1.8555 2.5059 2.5059 2.5079 2.5079 5.8508 5.8508 5.8524 5.8524 7.0375 7.0375 7.0388 7.0388 7.3699 7.3699 7.3743 7.3743 k = 0.0250 0.0250 0.3068 ( 8488 PWs) bands (ev): -12.5024 -12.5024 -12.5024 -12.5024 -9.7385 -9.7385 -9.7384 -9.7384 -9.2189 -9.2189 -9.2175 -9.2175 -9.1944 -9.1944 -9.1931 -9.1931 -5.4329 -5.4329 -5.4328 -5.4328 -2.0005 -2.0005 -1.9993 -1.9993 -1.8909 -1.8909 -1.8900 -1.8900 -1.6306 -1.6306 -1.6241 -1.6241 -1.5804 -1.5804 -1.5737 -1.5737 0.5410 0.5410 0.5430 0.5430 0.9488 0.9488 0.9583 0.9583 1.0630 1.0630 1.0725 1.0725 1.1604 1.1604 1.1708 1.1708 1.5947 1.5947 1.6163 1.6163 1.8153 1.8153 1.8331 1.8331 2.5059 2.5059 2.5073 2.5073 5.8485 5.8485 5.8496 5.8496 7.0361 7.0361 7.0370 7.0370 7.3869 7.3869 7.3897 7.3897 k = 0.0125 0.0125 0.3068 ( 8492 PWs) bands (ev): -12.5033 -12.5033 -12.5033 -12.5033 -9.7361 -9.7361 -9.7360 -9.7360 -9.2175 -9.2175 -9.2168 -9.2168 -9.1951 -9.1951 -9.1944 -9.1944 -5.4363 -5.4363 -5.4363 -5.4363 -1.9923 -1.9923 -1.9916 -1.9916 -1.8998 -1.8998 -1.8992 -1.8992 -1.6175 -1.6175 -1.6115 -1.6115 -1.5891 -1.5891 -1.5831 -1.5831 0.5372 0.5372 0.5383 0.5383 0.9545 0.9545 0.9594 0.9594 1.0752 1.0752 1.0809 1.0809 1.1548 1.1548 1.1610 1.1610 1.6095 1.6095 1.6216 1.6216 1.8052 1.8052 1.8154 1.8154 2.5061 2.5061 2.5068 2.5068 5.8472 5.8472 5.8477 5.8477 7.0353 7.0353 7.0357 7.0357 7.3960 7.3960 7.3973 7.3973 k = 0.0000 0.0000 0.3068 ( 8476 PWs) bands (ev): -12.5036 -12.5036 -12.5036 -12.5036 -9.7352 -9.7352 -9.7352 -9.7352 -9.2167 -9.2167 -9.2167 -9.2167 -9.1951 -9.1951 -9.1951 -9.1951 -5.4375 -5.4375 -5.4375 -5.4375 -1.9889 -1.9889 -1.9889 -1.9889 -1.9029 -1.9029 -1.9029 -1.9029 -1.6077 -1.6077 -1.6077 -1.6077 -1.5917 -1.5917 -1.5917 -1.5917 0.5363 0.5363 0.5363 0.5363 0.9581 0.9581 0.9581 0.9581 1.0818 1.0818 1.0818 1.0818 1.1550 1.1550 1.1550 1.1550 1.6193 1.6193 1.6193 1.6193 1.8053 1.8053 1.8053 1.8053 2.5064 2.5064 2.5064 2.5064 5.8469 5.8469 5.8469 5.8469 7.0352 7.0352 7.0352 7.0352 7.3991 7.3991 7.3991 7.3991 k = 0.0000 0.5000-0.0000 ( 8538 PWs) bands (ev): -12.4732 -12.4732 -12.3311 -12.3311 -10.2118 -10.2118 -9.7293 -9.7293 -9.3292 -9.3292 -9.2949 -9.2949 -9.1852 -9.1852 -9.0719 -9.0719 -5.3589 -5.3589 -4.7716 -4.7716 -2.2578 -2.2578 -2.1068 -2.1068 -2.0987 -2.0987 -1.7924 -1.7924 -1.7678 -1.7678 -1.6798 -1.6798 -1.5974 -1.5974 -1.1656 -1.1656 -0.3363 -0.3363 0.5704 0.5704 0.8321 0.8321 0.8667 0.8667 1.1368 1.1368 1.2165 1.2165 1.3534 1.3534 1.3764 1.3764 1.5887 1.5887 1.6212 1.6212 2.0583 2.0583 2.1334 2.1334 2.2369 2.2369 2.8282 2.8282 5.8472 5.8472 6.2305 6.2305 6.4183 6.4183 7.0981 7.0981 7.1035 7.1035 7.2761 7.2761 k = 0.0000 0.5000 0.0170 ( 8560 PWs) bands (ev): -12.4732 -12.4732 -12.3311 -12.3311 -10.2120 -10.2120 -9.7293 -9.7293 -9.3286 -9.3285 -9.2954 -9.2954 -9.1847 -9.1847 -9.0723 -9.0723 -5.3589 -5.3589 -4.7717 -4.7717 -2.2574 -2.2573 -2.1079 -2.1061 -2.0998 -2.0982 -1.7972 -1.7965 -1.7675 -1.7663 -1.6763 -1.6755 -1.5975 -1.5962 -1.1660 -1.1659 -0.3359 -0.3353 0.5696 0.5706 0.8299 0.8309 0.8641 0.8652 1.1299 1.1390 1.2169 1.2213 1.3496 1.3532 1.3770 1.3815 1.5878 1.5897 1.6223 1.6229 2.0575 2.0602 2.1333 2.1337 2.2359 2.2377 2.8277 2.8277 5.8471 5.8471 6.2311 6.2315 6.4192 6.4193 7.0980 7.0981 7.1030 7.1036 7.2770 7.2776 k = 0.0000 0.5000 0.0341 ( 8544 PWs) bands (ev): -12.4732 -12.4732 -12.3311 -12.3311 -10.2125 -10.2124 -9.7292 -9.7292 -9.3269 -9.3268 -9.2969 -9.2968 -9.1833 -9.1833 -9.0736 -9.0735 -5.3592 -5.3592 -4.7718 -4.7718 -2.2560 -2.2559 -2.1092 -2.1055 -2.1015 -2.0982 -1.8088 -1.8077 -1.7658 -1.7635 -1.6664 -1.6650 -1.5965 -1.5939 -1.1672 -1.1668 -0.3341 -0.3329 0.5680 0.5702 0.8245 0.8263 0.8577 0.8597 1.1196 1.1354 1.2233 1.2299 1.3442 1.3490 1.3834 1.3900 1.5870 1.5906 1.6258 1.6273 2.0576 2.0629 2.1333 2.1341 2.2348 2.2384 2.8263 2.8264 5.8467 5.8467 6.2332 6.2339 6.4220 6.4221 7.0977 7.0977 7.1021 7.1031 7.2803 7.2814 k = 0.0000 0.5000 0.0511 ( 8526 PWs) bands (ev): -12.4731 -12.4731 -12.3311 -12.3311 -10.2132 -10.2132 -9.7290 -9.7290 -9.3240 -9.3239 -9.2993 -9.2991 -9.1811 -9.1810 -9.0757 -9.0756 -5.3596 -5.3596 -4.7720 -4.7720 -2.2537 -2.2535 -2.1110 -2.1057 -2.1032 -2.0984 -1.8244 -1.8233 -1.7630 -1.7596 -1.6526 -1.6509 -1.5943 -1.5905 -1.1689 -1.1684 -0.3310 -0.3292 0.5656 0.5689 0.8162 0.8188 0.8485 0.8508 1.1070 1.1265 1.2345 1.2414 1.3383 1.3429 1.3930 1.4005 1.5862 1.5909 1.6318 1.6344 2.0587 2.0667 2.1335 2.1346 2.2335 2.2389 2.8240 2.8242 5.8461 5.8461 6.2368 6.2379 6.4266 6.4268 7.0969 7.0969 7.1008 7.1023 7.2858 7.2874 k = 0.0000 0.5000 0.0682 ( 8518 PWs) bands (ev): -12.4731 -12.4731 -12.3310 -12.3310 -10.2142 -10.2142 -9.7288 -9.7288 -9.3201 -9.3199 -9.3023 -9.3021 -9.1783 -9.1781 -9.0786 -9.0784 -5.3602 -5.3602 -4.7723 -4.7723 -2.2504 -2.2503 -2.1133 -2.1080 -2.1035 -2.0989 -1.8423 -1.8411 -1.7590 -1.7546 -1.6370 -1.6351 -1.5913 -1.5863 -1.1713 -1.1706 -0.3265 -0.3242 0.5621 0.5668 0.8055 0.8087 0.8372 0.8395 1.0925 1.1138 1.2489 1.2549 1.3319 1.3360 1.4047 1.4127 1.5853 1.5907 1.6399 1.6437 2.0608 2.0713 2.1339 2.1353 2.2320 2.2392 2.8210 2.8211 5.8453 5.8453 6.2418 6.2431 6.4329 6.4331 7.0954 7.0955 7.0993 7.1010 7.2935 7.2956 k = 0.0000 0.5000 0.0852 ( 8518 PWs) bands (ev): -12.4730 -12.4730 -12.3310 -12.3310 -10.2155 -10.2154 -9.7285 -9.7285 -9.3152 -9.3149 -9.3058 -9.3055 -9.1749 -9.1748 -9.0824 -9.0821 -5.3609 -5.3609 -4.7726 -4.7726 -2.2464 -2.2461 -2.1163 -2.1116 -2.1031 -2.0992 -1.8613 -1.8602 -1.7539 -1.7485 -1.6208 -1.6189 -1.5875 -1.5814 -1.1743 -1.1734 -0.3209 -0.3181 0.5574 0.5634 0.7933 0.7967 0.8249 0.8269 1.0767 1.0985 1.2648 1.2697 1.3253 1.3285 1.4177 1.4261 1.5840 1.5900 1.6497 1.6546 2.0639 2.0767 2.1344 2.1363 2.2304 2.2392 2.8172 2.8174 5.8443 5.8443 6.2480 6.2496 6.4407 6.4410 7.0929 7.0931 7.0975 7.0993 7.3032 7.3056 k = 0.0000 0.5000 0.1023 ( 8520 PWs) bands (ev): -12.4730 -12.4730 -12.3310 -12.3310 -10.2169 -10.2169 -9.7282 -9.7281 -9.3107 -9.3103 -9.3082 -9.3079 -9.1712 -9.1711 -9.0869 -9.0866 -5.3617 -5.3617 -4.7730 -4.7730 -2.2414 -2.2412 -2.1197 -2.1158 -2.1026 -2.0995 -1.8807 -1.8797 -1.7476 -1.7414 -1.6047 -1.6028 -1.5831 -1.5760 -1.1777 -1.1767 -0.3141 -0.3109 0.5513 0.5586 0.7801 0.7833 0.8124 0.8140 1.0599 1.0814 1.2809 1.2852 1.3187 1.3207 1.4315 1.4404 1.5826 1.5890 1.6607 1.6664 2.0678 2.0830 2.1352 2.1374 2.2285 2.2390 2.8128 2.8130 5.8431 5.8432 6.2552 6.2571 6.4499 6.4502 7.0892 7.0894 7.0954 7.0973 7.3146 7.3173 k = 0.0000 0.5000 0.1193 ( 8524 PWs) bands (ev): -12.4729 -12.4729 -12.3310 -12.3310 -10.2185 -10.2184 -9.7278 -9.7278 -9.3140 -9.3139 -9.3019 -9.3017 -9.1674 -9.1672 -9.0922 -9.0919 -5.3626 -5.3625 -4.7734 -4.7734 -2.2357 -2.2354 -2.1236 -2.1203 -2.1021 -2.0997 -1.9003 -1.8994 -1.7403 -1.7335 -1.5895 -1.5877 -1.5780 -1.5701 -1.1816 -1.1804 -0.3064 -0.3028 0.5436 0.5522 0.7665 0.7691 0.8005 0.8017 1.0425 1.0633 1.2942 1.2996 1.3138 1.3145 1.4457 1.4550 1.5808 1.5877 1.6724 1.6786 2.0726 2.0900 2.1362 2.1388 2.2264 2.2384 2.8079 2.8081 5.8419 5.8420 6.2633 6.2653 6.4603 6.4605 7.0840 7.0841 7.0932 7.0951 7.3275 7.3304 k = 0.0000 0.5000 0.1364 ( 8512 PWs) bands (ev): -12.4728 -12.4728 -12.3310 -12.3310 -10.2201 -10.2201 -9.7274 -9.7274 -9.3181 -9.3179 -9.2942 -9.2939 -9.1635 -9.1633 -9.0982 -9.0979 -5.3635 -5.3635 -4.7739 -4.7739 -2.2293 -2.2289 -2.1278 -2.1251 -2.1016 -2.0997 -1.9196 -1.9189 -1.7320 -1.7248 -1.5778 -1.5746 -1.5702 -1.5631 -1.1857 -1.1844 -0.2979 -0.2940 0.5344 0.5441 0.7529 0.7547 0.7899 0.7908 1.0251 1.0448 1.2956 1.3009 1.3194 1.3213 1.4597 1.4695 1.5790 1.5863 1.6842 1.6907 2.0782 2.0977 2.1374 2.1404 2.2239 2.2374 2.8026 2.8029 5.8407 5.8408 6.2720 6.2741 6.4715 6.4717 7.0771 7.0771 7.0909 7.0927 7.3415 7.3445 k = 0.0000 0.5000 0.1534 ( 8508 PWs) bands (ev): -12.4727 -12.4727 -12.3310 -12.3310 -10.2219 -10.2218 -9.7270 -9.7269 -9.3222 -9.3220 -9.2857 -9.2853 -9.1597 -9.1595 -9.1049 -9.1046 -5.3645 -5.3645 -4.7743 -4.7743 -2.2221 -2.2218 -2.1321 -2.1298 -2.1011 -2.0997 -1.9386 -1.9380 -1.7230 -1.7154 -1.5718 -1.5657 -1.5579 -1.5533 -1.1900 -1.1886 -0.2888 -0.2847 0.5237 0.5342 0.7395 0.7405 0.7811 0.7817 1.0082 1.0265 1.2893 1.2931 1.3334 1.3348 1.4733 1.4836 1.5770 1.5849 1.6958 1.7023 2.0846 2.1059 2.1388 2.1422 2.2211 2.2359 2.7972 2.7975 5.8395 5.8395 6.2810 6.2832 6.4832 6.4834 7.0685 7.0686 7.0887 7.0904 7.3563 7.3594 k = 0.0000 0.5000 0.1704 ( 8504 PWs) bands (ev): -12.4727 -12.4726 -12.3309 -12.3309 -10.2236 -10.2235 -9.7266 -9.7265 -9.3260 -9.3259 -9.2765 -9.2761 -9.1561 -9.1559 -9.1123 -9.1119 -5.3655 -5.3654 -4.7748 -4.7748 -2.2144 -2.2141 -2.1364 -2.1345 -2.1006 -2.0995 -1.9570 -1.9566 -1.7135 -1.7057 -1.5676 -1.5602 -1.5452 -1.5419 -1.1943 -1.1929 -0.2793 -0.2751 0.5119 0.5229 0.7267 0.7269 0.7741 0.7744 0.9920 1.0087 1.2817 1.2847 1.3471 1.3484 1.4861 1.4968 1.5750 1.5834 1.7068 1.7131 2.0915 2.1146 2.1404 2.1443 2.2179 2.2338 2.7917 2.7920 5.8383 5.8384 6.2901 6.2923 6.4952 6.4954 7.0584 7.0587 7.0865 7.0881 7.3715 7.3746 k = 0.0000 0.5000 0.1875 ( 8500 PWs) bands (ev): -12.4726 -12.4726 -12.3309 -12.3309 -10.2252 -10.2252 -9.7262 -9.7261 -9.3297 -9.3295 -9.2667 -9.2663 -9.1527 -9.1525 -9.1204 -9.1199 -5.3664 -5.3664 -4.7753 -4.7752 -2.2063 -2.2059 -2.1405 -2.1389 -2.1001 -2.0994 -1.9747 -1.9744 -1.7036 -1.6958 -1.5643 -1.5564 -1.5336 -1.5309 -1.1985 -1.1971 -0.2697 -0.2656 0.4996 0.5106 0.7144 0.7146 0.7691 0.7691 0.9770 0.9920 1.2741 1.2766 1.3597 1.3610 1.4978 1.5089 1.5731 1.5820 1.7171 1.7229 2.0990 2.1235 2.1421 2.1466 2.2143 2.2313 2.7864 2.7867 5.8372 5.8373 6.2990 6.3011 6.5071 6.5073 7.0476 7.0480 7.0845 7.0860 7.3866 7.3896 k = 0.0000 0.5000 0.2045 ( 8512 PWs) bands (ev): -12.4725 -12.4725 -12.3309 -12.3309 -10.2267 -10.2267 -9.7258 -9.7257 -9.3330 -9.3328 -9.2565 -9.2560 -9.1496 -9.1494 -9.1290 -9.1285 -5.3673 -5.3673 -4.7757 -4.7757 -2.1977 -2.1974 -2.1442 -2.1431 -2.0997 -2.0992 -1.9915 -1.9913 -1.6937 -1.6860 -1.5618 -1.5538 -1.5232 -1.5209 -1.2024 -1.2011 -0.2604 -0.2564 0.4874 0.4979 0.7030 0.7035 0.7654 0.7656 0.9635 0.9767 1.2669 1.2689 1.3708 1.3720 1.5083 1.5195 1.5715 1.5807 1.7264 1.7317 2.1067 2.1325 2.1438 2.1490 2.2104 2.2280 2.7813 2.7816 5.8362 5.8363 6.3074 6.3094 6.5186 6.5186 7.0365 7.0370 7.0827 7.0840 7.3953 7.3970 k = 0.0000 0.5000 0.2216 ( 8500 PWs) bands (ev): -12.4724 -12.4724 -12.3309 -12.3309 -10.2281 -10.2281 -9.7254 -9.7254 -9.3358 -9.3357 -9.2458 -9.2454 -9.1471 -9.1468 -9.1382 -9.1376 -5.3681 -5.3681 -4.7761 -4.7761 -2.1890 -2.1887 -2.1476 -2.1467 -2.0993 -2.0990 -2.0072 -2.0071 -1.6840 -1.6768 -1.5599 -1.5523 -1.5142 -1.5123 -1.2060 -1.2047 -0.2516 -0.2479 0.4759 0.4854 0.6931 0.6938 0.7630 0.7634 0.9518 0.9629 1.2604 1.2620 1.3803 1.3814 1.5174 1.5285 1.5701 1.5794 1.7346 1.7391 2.1146 2.1411 2.1457 2.1514 2.2061 2.2242 2.7768 2.7770 5.8354 5.8354 6.3151 6.3169 6.5291 6.5292 7.0257 7.0264 7.0811 7.0822 7.3997 7.4012 k = 0.0000 0.5000 0.2386 ( 8502 PWs) bands (ev): -12.4724 -12.4724 -12.3309 -12.3309 -10.2293 -10.2293 -9.7251 -9.7251 -9.3383 -9.3382 -9.2349 -9.2344 -9.1480 -9.1479 -9.1445 -9.1442 -5.3688 -5.3688 -4.7764 -4.7764 -2.1805 -2.1802 -2.1505 -2.1498 -2.0990 -2.0988 -2.0215 -2.0215 -1.6750 -1.6685 -1.5587 -1.5518 -1.5067 -1.5052 -1.2090 -1.2080 -0.2436 -0.2405 0.4658 0.4739 0.6848 0.6855 0.7616 0.7620 0.9421 0.9512 1.2548 1.2561 1.3881 1.3891 1.5251 1.5356 1.5693 1.5783 1.7415 1.7453 2.1224 2.1456 2.1510 2.1540 2.2017 2.2197 2.7728 2.7730 5.8347 5.8347 6.3218 6.3233 6.5384 6.5385 7.0160 7.0166 7.0798 7.0807 7.4043 7.4054 k = 0.0000 0.5000 0.2557 ( 8516 PWs) bands (ev): -12.4723 -12.4723 -12.3309 -12.3309 -10.2302 -10.2302 -9.7249 -9.7249 -9.3402 -9.3401 -9.2238 -9.2233 -9.1580 -9.1576 -9.1428 -9.1427 -5.3694 -5.3693 -4.7767 -4.7767 -2.1725 -2.1724 -2.1527 -2.1523 -2.0988 -2.0986 -2.0340 -2.0340 -1.6669 -1.6615 -1.5580 -1.5521 -1.5008 -1.4996 -1.2115 -1.2106 -0.2369 -0.2344 0.4575 0.4639 0.6783 0.6788 0.7609 0.7613 0.9347 0.9415 1.2503 1.2512 1.3942 1.3950 1.5314 1.5405 1.5693 1.5772 1.7471 1.7500 2.1296 2.1467 2.1567 2.1585 2.1977 2.2147 2.7696 2.7697 5.8341 5.8341 6.3273 6.3285 6.5461 6.5462 7.0078 7.0084 7.0788 7.0794 7.4084 7.4093 k = 0.0000 0.5000 0.2727 ( 8530 PWs) bands (ev): -12.4723 -12.4723 -12.3309 -12.3309 -10.2309 -10.2309 -9.7247 -9.7247 -9.3416 -9.3415 -9.2126 -9.2121 -9.1685 -9.1680 -9.1415 -9.1415 -5.3698 -5.3698 -4.7769 -4.7769 -2.1658 -2.1658 -2.1543 -2.1541 -2.0986 -2.0985 -2.0440 -2.0439 -1.6604 -1.6564 -1.5573 -1.5531 -1.4965 -1.4957 -1.2132 -1.2126 -0.2317 -0.2299 0.4516 0.4560 0.6736 0.6740 0.7607 0.7610 0.9295 0.9341 1.2470 1.2476 1.3986 1.3991 1.5364 1.5431 1.5701 1.5760 1.7513 1.7532 2.1360 2.1469 2.1597 2.1643 2.1949 2.2092 2.7672 2.7673 5.8337 5.8337 6.3315 6.3323 6.5519 6.5520 7.0017 7.0021 7.0780 7.0785 7.4118 7.4123 k = 0.0000 0.5000 0.2898 ( 8530 PWs) bands (ev): -12.4723 -12.4723 -12.3309 -12.3309 -10.2314 -10.2314 -9.7246 -9.7246 -9.3424 -9.3424 -9.2014 -9.2009 -9.1792 -9.1788 -9.1407 -9.1407 -5.3700 -5.3700 -4.7770 -4.7770 -2.1614 -2.1613 -2.1551 -2.1550 -2.0985 -2.0985 -2.0506 -2.0505 -1.6557 -1.6536 -1.5566 -1.5543 -1.4938 -1.4934 -1.2142 -1.2139 -0.2283 -0.2274 0.4484 0.4506 0.6708 0.6710 0.7606 0.7608 0.9269 0.9292 1.2451 1.2454 1.4013 1.4016 1.5401 1.5437 1.5715 1.5747 1.7540 1.7550 2.1410 2.1462 2.1629 2.1668 2.1949 2.2035 2.7657 2.7658 5.8334 5.8334 6.3341 6.3345 6.5555 6.5555 6.9979 6.9981 7.0776 7.0778 7.4140 7.4142 k = 0.0000 0.5000 0.3068 ( 8528 PWs) bands (ev): -12.4723 -12.4723 -12.3309 -12.3309 -10.2315 -10.2315 -9.7245 -9.7245 -9.3427 -9.3427 -9.1903 -9.1903 -9.1897 -9.1897 -9.1404 -9.1404 -5.3701 -5.3701 -4.7770 -4.7770 -2.1599 -2.1599 -2.1552 -2.1552 -2.0984 -2.0984 -2.0529 -2.0529 -1.6534 -1.6534 -1.5556 -1.5556 -1.4928 -1.4928 -1.2144 -1.2144 -0.2268 -0.2268 0.4480 0.4480 0.6699 0.6699 0.7607 0.7607 0.9268 0.9268 1.2445 1.2445 1.4023 1.4023 1.5426 1.5426 1.5731 1.5731 1.7553 1.7553 2.1443 2.1443 2.1658 2.1658 2.1983 2.1983 2.7653 2.7653 5.8334 5.8334 6.3351 6.3351 6.5567 6.5567 6.9967 6.9967 7.0776 7.0776 7.4148 7.4148 k = 0.5000 0.5000-0.0000 ( 8448 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2707 -10.2707 -10.0932 -10.0932 -9.2989 -9.2989 -9.2227 -9.2227 -9.2137 -9.2137 -9.2135 -9.2135 -4.7617 -4.7617 -4.7616 -4.7616 -2.4994 -2.4994 -2.4796 -2.4796 -2.1195 -2.1195 -2.1175 -2.1175 -1.8489 -1.8489 -1.5299 -1.5299 -1.2685 -1.2685 -0.9476 -0.9476 -0.0445 -0.0445 -0.0398 -0.0398 0.4808 0.4808 1.0155 1.0155 1.0162 1.0162 1.3136 1.3136 1.9196 1.9196 1.9293 1.9293 1.9706 1.9706 2.0228 2.0228 2.0318 2.0318 2.0511 2.0511 2.1119 2.1119 2.8789 2.8789 5.7616 5.7616 5.7644 5.7644 6.3027 6.3027 6.7021 6.7021 6.7021 6.7021 6.8203 6.8203 k = 0.5000 0.5000 0.0170 ( 8448 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2704 -10.2704 -10.0936 -10.0936 -9.2987 -9.2987 -9.2228 -9.2228 -9.2138 -9.2138 -9.2135 -9.2135 -4.7617 -4.7617 -4.7615 -4.7615 -2.5022 -2.5022 -2.4745 -2.4745 -2.1197 -2.1197 -2.1177 -2.1177 -1.8516 -1.8516 -1.5328 -1.5328 -1.2661 -1.2661 -0.9477 -0.9477 -0.0449 -0.0449 -0.0402 -0.0402 0.4833 0.4833 1.0168 1.0168 1.0178 1.0178 1.3128 1.3128 1.9182 1.9182 1.9281 1.9281 1.9686 1.9686 2.0243 2.0243 2.0329 2.0329 2.0530 2.0530 2.1110 2.1110 2.8773 2.8773 5.7615 5.7615 5.7644 5.7644 6.3039 6.3039 6.7014 6.7014 6.7016 6.7016 6.8208 6.8208 k = 0.5000 0.5000 0.0341 ( 8468 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2695 -10.2695 -10.0948 -10.0948 -9.2981 -9.2981 -9.2231 -9.2231 -9.2138 -9.2138 -9.2135 -9.2135 -4.7614 -4.7614 -4.7612 -4.7612 -2.5068 -2.5068 -2.4634 -2.4634 -2.1204 -2.1204 -2.1185 -2.1185 -1.8597 -1.8597 -1.5411 -1.5411 -1.2590 -1.2590 -0.9482 -0.9482 -0.0461 -0.0461 -0.0414 -0.0414 0.4907 0.4907 1.0209 1.0209 1.0223 1.0223 1.3105 1.3105 1.9139 1.9139 1.9244 1.9244 1.9637 1.9637 2.0272 2.0272 2.0360 2.0360 2.0590 2.0590 2.1085 2.1085 2.8725 2.8725 5.7615 5.7615 5.7643 5.7643 6.3074 6.3074 6.6995 6.6995 6.6999 6.6999 6.8222 6.8222 k = 0.5000 0.5000 0.0511 ( 8476 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2681 -10.2681 -10.0968 -10.0968 -9.2971 -9.2971 -9.2236 -9.2236 -9.2138 -9.2138 -9.2136 -9.2136 -4.7609 -4.7609 -4.7607 -4.7607 -2.5101 -2.5101 -2.4491 -2.4491 -2.1216 -2.1216 -2.1197 -2.1197 -1.8726 -1.8726 -1.5544 -1.5544 -1.2480 -1.2480 -0.9491 -0.9491 -0.0480 -0.0480 -0.0435 -0.0435 0.5028 0.5028 1.0276 1.0276 1.0296 1.0296 1.3065 1.3065 1.9074 1.9074 1.9185 1.9185 1.9574 1.9574 2.0300 2.0300 2.0401 2.0401 2.0696 2.0696 2.1044 2.1044 2.8646 2.8646 5.7614 5.7614 5.7643 5.7643 6.3133 6.3133 6.6965 6.6965 6.6970 6.6970 6.8244 6.8244 k = 0.5000 0.5000 0.0682 ( 8500 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2660 -10.2660 -10.0995 -10.0995 -9.2958 -9.2958 -9.2243 -9.2243 -9.2139 -9.2139 -9.2137 -9.2137 -4.7603 -4.7603 -4.7601 -4.7601 -2.5115 -2.5115 -2.4324 -2.4324 -2.1232 -2.1232 -2.1213 -2.1213 -1.8901 -1.8901 -1.5718 -1.5718 -1.2341 -1.2341 -0.9503 -0.9503 -0.0506 -0.0506 -0.0462 -0.0462 0.5195 0.5195 1.0370 1.0370 1.0395 1.0395 1.3009 1.3009 1.8990 1.8990 1.9106 1.9106 1.9507 1.9507 2.0325 2.0325 2.0441 2.0441 2.0837 2.0837 2.0995 2.0995 2.8537 2.8537 5.7614 5.7614 5.7642 5.7642 6.3214 6.3214 6.6924 6.6924 6.6930 6.6930 6.8268 6.8268 k = 0.5000 0.5000 0.0852 ( 8524 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2634 -10.2634 -10.1029 -10.1029 -9.2940 -9.2940 -9.2252 -9.2252 -9.2139 -9.2139 -9.2137 -9.2137 -4.7596 -4.7596 -4.7594 -4.7594 -2.5107 -2.5107 -2.4135 -2.4135 -2.1251 -2.1251 -2.1233 -2.1233 -1.9114 -1.9114 -1.5928 -1.5928 -1.2182 -1.2182 -0.9518 -0.9518 -0.0537 -0.0537 -0.0495 -0.0495 0.5404 0.5404 1.0487 1.0487 1.0516 1.0516 1.2935 1.2935 1.8891 1.8891 1.9011 1.9011 1.9441 1.9441 2.0349 2.0349 2.0477 2.0477 2.0902 2.0902 2.1043 2.1043 2.8398 2.8398 5.7613 5.7613 5.7641 5.7641 6.3318 6.3318 6.6873 6.6873 6.6881 6.6881 6.8286 6.8286 k = 0.5000 0.5000 0.1023 ( 8520 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2602 -10.2602 -10.1070 -10.1070 -9.2920 -9.2920 -9.2263 -9.2263 -9.2140 -9.2140 -9.2138 -9.2138 -4.7587 -4.7587 -4.7585 -4.7585 -2.5077 -2.5077 -2.3926 -2.3926 -2.1274 -2.1274 -2.1257 -2.1257 -1.9360 -1.9360 -1.6168 -1.6168 -1.2010 -1.2010 -0.9538 -0.9538 -0.0573 -0.0573 -0.0532 -0.0532 0.5652 0.5652 1.0624 1.0624 1.0659 1.0659 1.2845 1.2845 1.8780 1.8780 1.8902 1.8902 1.9379 1.9379 2.0368 2.0368 2.0509 2.0509 2.0836 2.0836 2.1237 2.1237 2.8231 2.8231 5.7613 5.7613 5.7640 5.7640 6.3443 6.3443 6.6814 6.6814 6.6823 6.6823 6.8290 6.8290 k = 0.5000 0.5000 0.1193 ( 8516 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2565 -10.2565 -10.1117 -10.1117 -9.2896 -9.2896 -9.2276 -9.2276 -9.2141 -9.2141 -9.2139 -9.2139 -4.7577 -4.7577 -4.7576 -4.7576 -2.5025 -2.5025 -2.3699 -2.3699 -2.1299 -2.1299 -2.1283 -2.1283 -1.9631 -1.9631 -1.6435 -1.6435 -1.1832 -1.1832 -0.9562 -0.9562 -0.0611 -0.0611 -0.0573 -0.0573 0.5934 0.5934 1.0779 1.0779 1.0817 1.0817 1.2735 1.2735 1.8660 1.8660 1.8782 1.8782 1.9325 1.9325 2.0375 2.0375 2.0536 2.0536 2.0766 2.0766 2.1460 2.1460 2.8037 2.8037 5.7613 5.7613 5.7639 5.7639 6.3589 6.3589 6.6748 6.6748 6.6758 6.6758 6.8269 6.8269 k = 0.5000 0.5000 0.1364 ( 8500 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2523 -10.2523 -10.1170 -10.1170 -9.2870 -9.2870 -9.2291 -9.2291 -9.2141 -9.2141 -9.2140 -9.2140 -4.7567 -4.7567 -4.7566 -4.7566 -2.4950 -2.4950 -2.3453 -2.3453 -2.1325 -2.1325 -2.1310 -2.1310 -1.9924 -1.9924 -1.6724 -1.6724 -1.1652 -1.1652 -0.9590 -0.9590 -0.0651 -0.0651 -0.0616 -0.0616 0.6246 0.6246 1.0946 1.0946 1.0989 1.0989 1.2607 1.2607 1.8532 1.8532 1.8653 1.8653 1.9280 1.9280 2.0358 2.0358 2.0557 2.0557 2.0709 2.0709 2.1701 2.1701 2.7819 2.7819 5.7614 5.7614 5.7639 5.7639 6.3756 6.3756 6.6677 6.6677 6.6688 6.6688 6.8215 6.8215 k = 0.5000 0.5000 0.1534 ( 8532 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2476 -10.2476 -10.1228 -10.1228 -9.2842 -9.2842 -9.2309 -9.2309 -9.2142 -9.2142 -9.2141 -9.2141 -4.7557 -4.7557 -4.7555 -4.7555 -2.4853 -2.4853 -2.3190 -2.3190 -2.1353 -2.1353 -2.1339 -2.1339 -2.0231 -2.0231 -1.7032 -1.7032 -1.1474 -1.1474 -0.9623 -0.9623 -0.0692 -0.0692 -0.0659 -0.0659 0.6584 0.6584 1.1122 1.1122 1.1168 1.1168 1.2460 1.2460 1.8399 1.8399 1.8516 1.8516 1.9244 1.9244 2.0306 2.0306 2.0575 2.0575 2.0680 2.0680 2.1958 2.1958 2.7578 2.7578 5.7615 5.7615 5.7639 5.7639 6.3940 6.3940 6.6604 6.6604 6.6614 6.6614 6.8126 6.8126 k = 0.5000 0.5000 0.1704 ( 8556 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2424 -10.2424 -10.1291 -10.1291 -9.2811 -9.2811 -9.2328 -9.2328 -9.2143 -9.2143 -9.2142 -9.2142 -4.7546 -4.7546 -4.7545 -4.7545 -2.4734 -2.4734 -2.2911 -2.2911 -2.1380 -2.1380 -2.1368 -2.1368 -2.0549 -2.0549 -1.7357 -1.7357 -1.1300 -1.1300 -0.9661 -0.9661 -0.0731 -0.0731 -0.0702 -0.0702 0.6942 0.6942 1.1298 1.1298 1.1351 1.1351 1.2296 1.2296 1.8264 1.8264 1.8376 1.8376 1.9219 1.9219 2.0222 2.0222 2.0592 2.0592 2.0673 2.0673 2.2231 2.2231 2.7317 2.7317 5.7617 5.7617 5.7640 5.7640 6.4143 6.4143 6.6529 6.6529 6.6540 6.6540 6.8000 6.8000 k = 0.5000 0.5000 0.1875 ( 8556 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2368 -10.2368 -10.1357 -10.1357 -9.2779 -9.2779 -9.2349 -9.2349 -9.2144 -9.2144 -9.2143 -9.2143 -4.7536 -4.7536 -4.7534 -4.7534 -2.4593 -2.4593 -2.2618 -2.2618 -2.1406 -2.1406 -2.1396 -2.1396 -2.0873 -2.0873 -1.7696 -1.7696 -1.1133 -1.1133 -0.9705 -0.9705 -0.0768 -0.0768 -0.0743 -0.0743 0.7317 0.7317 1.1460 1.1460 1.1532 1.1532 1.2124 1.2124 1.8131 1.8131 1.8235 1.8235 1.9206 1.9206 2.0120 2.0120 2.0609 2.0609 2.0677 2.0677 2.2517 2.2517 2.7038 2.7038 5.7620 5.7620 5.7640 5.7640 6.4361 6.4361 6.6457 6.6457 6.6468 6.6468 6.7843 6.7843 k = 0.5000 0.5000 0.2045 ( 8556 PWs) bands (ev): -12.3055 -12.3055 -12.3055 -12.3055 -10.2308 -10.2308 -10.1428 -10.1428 -9.2746 -9.2746 -9.2372 -9.2372 -9.2145 -9.2145 -9.2144 -9.2144 -4.7526 -4.7526 -4.7525 -4.7525 -2.4431 -2.4431 -2.2310 -2.2310 -2.1431 -2.1431 -2.1423 -2.1423 -2.1197 -2.1197 -1.8045 -1.8045 -1.0973 -1.0973 -0.9754 -0.9754 -0.0803 -0.0803 -0.0780 -0.0780 0.7702 0.7702 1.1561 1.1561 1.1707 1.1707 1.1984 1.1984 1.8001 1.8001 1.8097 1.8097 1.9203 1.9203 2.0010 2.0010 2.0626 2.0626 2.0685 2.0685 2.2814 2.2814 2.6743 2.6743 5.7623 5.7623 5.7641 5.7641 6.4593 6.4593 6.6388 6.6388 6.6399 6.6399 6.7658 6.7658 k = 0.5000 0.5000 0.2216 ( 8540 PWs) bands (ev): -12.3054 -12.3054 -12.3054 -12.3054 -10.2244 -10.2244 -10.1500 -10.1500 -9.2712 -9.2712 -9.2396 -9.2396 -9.2145 -9.2145 -9.2145 -9.2145 -4.7517 -4.7517 -4.7516 -4.7516 -2.4248 -2.4248 -2.1991 -2.1991 -2.1536 -2.1536 -2.1452 -2.1452 -2.1435 -2.1435 -1.8404 -1.8404 -1.0821 -1.0821 -0.9811 -0.9811 -0.0833 -0.0833 -0.0814 -0.0814 0.8095 0.8095 1.1484 1.1484 1.1870 1.1870 1.1985 1.1985 1.7882 1.7882 1.7966 1.7966 1.9212 1.9212 1.9898 1.9898 2.0643 2.0643 2.0692 2.0692 2.3123 2.3123 2.6434 2.6434 5.7627 5.7627 5.7642 5.7642 6.4837 6.4837 6.6326 6.6326 6.6336 6.6336 6.7449 6.7449 k = 0.5000 0.5000 0.2386 ( 8532 PWs) bands (ev): -12.3054 -12.3054 -12.3054 -12.3054 -10.2177 -10.2177 -10.1575 -10.1575 -9.2678 -9.2678 -9.2423 -9.2423 -9.2146 -9.2146 -9.2145 -9.2145 -4.7509 -4.7509 -4.7509 -4.7509 -2.4046 -2.4046 -2.1855 -2.1855 -2.1657 -2.1657 -2.1471 -2.1471 -2.1461 -2.1461 -1.8768 -1.8768 -1.0679 -1.0679 -0.9874 -0.9874 -0.0858 -0.0858 -0.0843 -0.0843 0.8490 0.8490 1.1266 1.1266 1.2018 1.2018 1.2084 1.2084 1.7776 1.7776 1.7847 1.7847 1.9232 1.9232 1.9789 1.9789 2.0658 2.0658 2.0697 2.0697 2.3441 2.3441 2.6115 2.6115 5.7631 5.7631 5.7643 5.7643 6.5092 6.5092 6.6271 6.6271 6.6282 6.6282 6.7221 6.7221 k = 0.5000 0.5000 0.2557 ( 8516 PWs) bands (ev): -12.3054 -12.3054 -12.3054 -12.3054 -10.2107 -10.2107 -10.1652 -10.1652 -9.2644 -9.2644 -9.2451 -9.2451 -9.2146 -9.2146 -9.2146 -9.2146 -4.7503 -4.7503 -4.7503 -4.7503 -2.3825 -2.3825 -2.2169 -2.2169 -2.1487 -2.1487 -2.1482 -2.1482 -2.1313 -2.1313 -1.9136 -1.9136 -1.0546 -1.0546 -0.9944 -0.9944 -0.0878 -0.0878 -0.0866 -0.0866 0.8883 0.8883 1.0992 1.0992 1.2144 1.2144 1.2188 1.2188 1.7689 1.7689 1.7745 1.7745 1.9263 1.9263 1.9686 1.9686 2.0671 2.0671 2.0701 2.0701 2.3767 2.3767 2.5787 2.5787 5.7634 5.7634 5.7644 5.7644 6.5354 6.5354 6.6226 6.6226 6.6238 6.6238 6.6978 6.6978 k = 0.5000 0.5000 0.2727 ( 8532 PWs) bands (ev): -12.3054 -12.3054 -12.3054 -12.3054 -10.2034 -10.2034 -10.1729 -10.1729 -9.2610 -9.2610 -9.2480 -9.2480 -9.2147 -9.2147 -9.2146 -9.2146 -4.7498 -4.7498 -4.7498 -4.7498 -2.3586 -2.3586 -2.2476 -2.2476 -2.1498 -2.1498 -2.1494 -2.1494 -2.0964 -2.0964 -1.9506 -1.9506 -1.0423 -1.0423 -1.0023 -1.0023 -0.0892 -0.0892 -0.0884 -0.0884 0.9270 0.9270 1.0688 1.0688 1.2241 1.2241 1.2270 1.2270 1.7625 1.7625 1.7664 1.7664 1.9306 1.9306 1.9590 1.9590 2.0681 2.0681 2.0702 2.0702 2.4099 2.4099 2.5453 2.5453 5.7637 5.7637 5.7644 5.7644 6.5621 6.5621 6.6190 6.6190 6.6208 6.6208 6.6724 6.6724 k = 0.5000 0.5000 0.2898 ( 8540 PWs) bands (ev): -12.3054 -12.3054 -12.3054 -12.3054 -10.1959 -10.1959 -10.1806 -10.1806 -9.2576 -9.2576 -9.2511 -9.2511 -9.2147 -9.2147 -9.2147 -9.2147 -4.7496 -4.7496 -4.7495 -4.7495 -2.3330 -2.3330 -2.2773 -2.2773 -2.1504 -2.1504 -2.1502 -2.1502 -2.0606 -2.0606 -1.9876 -1.9876 -1.0309 -1.0309 -1.0109 -1.0109 -0.0900 -0.0900 -0.0896 -0.0896 0.9648 0.9648 1.0360 1.0360 1.2305 1.2305 1.2319 1.2319 1.7590 1.7590 1.7609 1.7609 1.9361 1.9361 1.9503 1.9503 2.0690 2.0690 2.0700 2.0700 2.4436 2.4436 2.5115 2.5115 5.7640 5.7640 5.7644 5.7644 6.5886 6.5886 6.6162 6.6162 6.6197 6.6197 6.6466 6.6466 k = 0.5000 0.5000 0.3068 ( 8536 PWs) bands (ev): -12.3054 -12.3054 -12.3054 -12.3054 -10.1883 -10.1883 -10.1883 -10.1883 -9.2543 -9.2543 -9.2543 -9.2543 -9.2147 -9.2147 -9.2147 -9.2147 -4.7495 -4.7495 -4.7495 -4.7495 -2.3059 -2.3059 -2.3059 -2.3059 -2.1506 -2.1506 -2.1506 -2.1506 -2.0243 -2.0243 -2.0243 -2.0243 -1.0205 -1.0205 -1.0205 -1.0205 -0.0901 -0.0901 -0.0901 -0.0901 1.0012 1.0012 1.0012 1.0012 1.2331 1.2331 1.2331 1.2331 1.7584 1.7584 1.7584 1.7584 1.9427 1.9427 1.9427 1.9427 2.0696 2.0696 2.0696 2.0696 2.4775 2.4775 2.4775 2.4775 5.7642 5.7642 5.7642 5.7642 6.6103 6.6103 6.6103 6.6103 6.6246 6.6246 6.6246 6.6246 Writing output data file AlPS4.save init_run : 4.27s CPU 14.30s WALL ( 1 calls) electrons : 1971.44s CPU 1988.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 1971.24s CPU 1988.22s WALL ( 1 calls) v_of_rho : 0.27s CPU 0.96s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.27s CPU 0.56s WALL ( 1 calls) newd : 1.23s CPU 1.33s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.38s WALL ( 255 calls) cegterg : 1840.98s CPU 1854.63s WALL ( 756 calls) Called by sum_band: Called by *egterg: h_psi : 786.96s CPU 797.32s WALL ( 13254 calls) s_psi : 172.91s CPU 173.29s WALL ( 13254 calls) g_psi : 1.91s CPU 2.00s WALL ( 12243 calls) cdiaghg : 647.73s CPU 645.21s WALL ( 12498 calls) cegterg:over : 137.82s CPU 134.93s WALL ( 12243 calls) cegterg:upda : 56.79s CPU 60.18s WALL ( 12243 calls) cegterg:last : 39.59s CPU 40.20s WALL ( 1795 calls) Called by h_psi: h_psi:vloc : 470.41s CPU 476.81s WALL ( 13254 calls) h_psi:vnl : 315.43s CPU 318.72s WALL ( 13254 calls) add_vuspsi : 136.96s CPU 142.80s WALL ( 13254 calls) General routines calbec : 178.40s CPU 175.73s WALL ( 13254 calls) fft : 0.50s CPU 1.64s WALL ( 19 calls) ffts : 0.03s CPU 0.05s WALL ( 4 calls) fftw : 453.17s CPU 456.86s WALL ( 1681892 calls) interpolate : 0.09s CPU 0.11s WALL ( 4 calls) davcio : 0.04s CPU 4.25s WALL ( 510 calls) Parallel routines fft_scatter : 278.18s CPU 275.78s WALL ( 1681915 calls) PWSCF : 34m34.54s CPU 38m42.71s WALL This run was terminated on: 13:40:11 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=