Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:38:23 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./CaCuSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 24 7 1990 1081 171 Max 38 25 8 1997 1103 180 Sum 1333 889 253 71805 39487 6251 bravais-lattice index = 14 lattice parameter (alat) = 8.3904 a.u. unit-cell volume = 937.8157 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.390383 celldm(2)= 1.000000 celldm(3)= 1.833333 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.833333 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.545455 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Ca 10.00 40.07800 Ca( 1.00) Cu 11.00 63.54600 Cu( 1.00) 12 Sym. Ops., with inversion, found (note: 12 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 295 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0033898 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0033898 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0033898 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0033898 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0033898 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0033898 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0033898 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0033898 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0033898 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0033898 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0033898 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0033898 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0033898 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0033898 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0033898 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0033898 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0033898 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0033898 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0033898 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0033898 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0033898 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0033898 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0033898 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0033898 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0033898 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0033898 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0033898 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0033898 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0033898 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0033898 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0033898 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0033898 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0033898 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0033898 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0033898 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0033898 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0033898 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0033898 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0033898 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0033898 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033898 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033898 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033898 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033898 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033898 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033898 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033898 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033898 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033898 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033898 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033898 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033898 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033898 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033898 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033898 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033898 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033898 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033898 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033898 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033898 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033898 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033898 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033898 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 69) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033898 k( 70) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033898 k( 71) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033898 k( 72) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033898 k( 73) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033898 k( 74) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033898 k( 75) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033898 k( 76) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033898 k( 77) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033898 k( 78) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033898 k( 79) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033898 k( 80) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033898 k( 81) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033898 k( 82) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033898 k( 83) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033898 k( 84) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033898 k( 85) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033898 k( 86) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033898 k( 87) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033898 k( 88) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033898 k( 89) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033898 k( 90) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033898 k( 91) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033898 k( 92) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033898 k( 93) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033898 k( 94) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033898 k( 95) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033898 k( 96) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033898 k( 97) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033898 k( 98) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033898 k( 99) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033898 k( 100) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033898 k( 101) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033898 k( 102) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033898 k( 103) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033898 k( 104) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033898 k( 105) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033898 k( 106) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033898 k( 107) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033898 k( 108) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033898 k( 109) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033898 k( 110) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033898 k( 111) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033898 k( 112) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033898 k( 113) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033898 k( 114) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033898 k( 115) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033898 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 118) = ( 0.0000000 0.0000000 0.0136364), wk = 0.0033898 k( 119) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.0409091), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.0954545), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.1227273), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.1772727), wk = 0.0033898 k( 131) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0033898 k( 132) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0033898 k( 133) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0033898 k( 134) = ( 0.0000000 0.0000000 0.2318182), wk = 0.0033898 k( 135) = ( 0.0000000 0.0000000 0.2454545), wk = 0.0033898 k( 136) = ( 0.0000000 0.0000000 0.2590909), wk = 0.0033898 k( 137) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033898 k( 138) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033898 k( 139) = ( 0.0121951 0.0070409 0.2727273), wk = 0.0033898 k( 140) = ( 0.0243902 0.0140817 0.2727273), wk = 0.0033898 k( 141) = ( 0.0365854 0.0211226 0.2727273), wk = 0.0033898 k( 142) = ( 0.0487805 0.0281634 0.2727273), wk = 0.0033898 k( 143) = ( 0.0609756 0.0352043 0.2727273), wk = 0.0033898 k( 144) = ( 0.0731707 0.0422451 0.2727273), wk = 0.0033898 k( 145) = ( 0.0853658 0.0492860 0.2727273), wk = 0.0033898 k( 146) = ( 0.0975610 0.0563269 0.2727273), wk = 0.0033898 k( 147) = ( 0.1097561 0.0633677 0.2727273), wk = 0.0033898 k( 148) = ( 0.1219512 0.0704086 0.2727273), wk = 0.0033898 k( 149) = ( 0.1341463 0.0774494 0.2727273), wk = 0.0033898 k( 150) = ( 0.1463415 0.0844903 0.2727273), wk = 0.0033898 k( 151) = ( 0.1585366 0.0915311 0.2727273), wk = 0.0033898 k( 152) = ( 0.1707317 0.0985720 0.2727273), wk = 0.0033898 k( 153) = ( 0.1829268 0.1056129 0.2727273), wk = 0.0033898 k( 154) = ( 0.1951219 0.1126537 0.2727273), wk = 0.0033898 k( 155) = ( 0.2073171 0.1196946 0.2727273), wk = 0.0033898 k( 156) = ( 0.2195122 0.1267354 0.2727273), wk = 0.0033898 k( 157) = ( 0.2317073 0.1337763 0.2727273), wk = 0.0033898 k( 158) = ( 0.2439024 0.1408171 0.2727273), wk = 0.0033898 k( 159) = ( 0.2560976 0.1478580 0.2727273), wk = 0.0033898 k( 160) = ( 0.2682927 0.1548989 0.2727273), wk = 0.0033898 k( 161) = ( 0.2804878 0.1619397 0.2727273), wk = 0.0033898 k( 162) = ( 0.2926829 0.1689806 0.2727273), wk = 0.0033898 k( 163) = ( 0.3048781 0.1760214 0.2727273), wk = 0.0033898 k( 164) = ( 0.3170732 0.1830623 0.2727273), wk = 0.0033898 k( 165) = ( 0.3292683 0.1901031 0.2727273), wk = 0.0033898 k( 166) = ( 0.3414634 0.1971440 0.2727273), wk = 0.0033898 k( 167) = ( 0.3536585 0.2041849 0.2727273), wk = 0.0033898 k( 168) = ( 0.3658537 0.2112257 0.2727273), wk = 0.0033898 k( 169) = ( 0.3780488 0.2182666 0.2727273), wk = 0.0033898 k( 170) = ( 0.3902439 0.2253074 0.2727273), wk = 0.0033898 k( 171) = ( 0.4024390 0.2323483 0.2727273), wk = 0.0033898 k( 172) = ( 0.4146341 0.2393891 0.2727273), wk = 0.0033898 k( 173) = ( 0.4268293 0.2464300 0.2727273), wk = 0.0033898 k( 174) = ( 0.4390244 0.2534708 0.2727273), wk = 0.0033898 k( 175) = ( 0.4512195 0.2605117 0.2727273), wk = 0.0033898 k( 176) = ( 0.4634146 0.2675526 0.2727273), wk = 0.0033898 k( 177) = ( 0.4756098 0.2745934 0.2727273), wk = 0.0033898 k( 178) = ( 0.4878049 0.2816343 0.2727273), wk = 0.0033898 k( 179) = ( 0.5000000 0.2886751 0.2727273), wk = 0.0033898 k( 180) = ( 0.5000000 0.2886751 0.2727273), wk = 0.0033898 k( 181) = ( 0.4930556 0.3007033 0.2727273), wk = 0.0033898 k( 182) = ( 0.4861111 0.3127314 0.2727273), wk = 0.0033898 k( 183) = ( 0.4791667 0.3247595 0.2727273), wk = 0.0033898 k( 184) = ( 0.4722222 0.3367877 0.2727273), wk = 0.0033898 k( 185) = ( 0.4652778 0.3488158 0.2727273), wk = 0.0033898 k( 186) = ( 0.4583333 0.3608439 0.2727273), wk = 0.0033898 k( 187) = ( 0.4513889 0.3728720 0.2727273), wk = 0.0033898 k( 188) = ( 0.4444444 0.3849002 0.2727273), wk = 0.0033898 k( 189) = ( 0.4375000 0.3969283 0.2727273), wk = 0.0033898 k( 190) = ( 0.4305556 0.4089564 0.2727273), wk = 0.0033898 k( 191) = ( 0.4236111 0.4209846 0.2727273), wk = 0.0033898 k( 192) = ( 0.4166667 0.4330127 0.2727273), wk = 0.0033898 k( 193) = ( 0.4097222 0.4450408 0.2727273), wk = 0.0033898 k( 194) = ( 0.4027778 0.4570690 0.2727273), wk = 0.0033898 k( 195) = ( 0.3958333 0.4690971 0.2727273), wk = 0.0033898 k( 196) = ( 0.3888889 0.4811252 0.2727273), wk = 0.0033898 k( 197) = ( 0.3819444 0.4931534 0.2727273), wk = 0.0033898 k( 198) = ( 0.3750000 0.5051815 0.2727273), wk = 0.0033898 k( 199) = ( 0.3680556 0.5172096 0.2727273), wk = 0.0033898 k( 200) = ( 0.3611111 0.5292377 0.2727273), wk = 0.0033898 k( 201) = ( 0.3541667 0.5412659 0.2727273), wk = 0.0033898 k( 202) = ( 0.3472222 0.5532940 0.2727273), wk = 0.0033898 k( 203) = ( 0.3402778 0.5653221 0.2727273), wk = 0.0033898 k( 204) = ( 0.3333333 0.5773503 0.2727273), wk = 0.0033898 k( 205) = ( 0.3333333 0.5773503 0.2727273), wk = 0.0033898 k( 206) = ( 0.3263889 0.5653221 0.2727273), wk = 0.0033898 k( 207) = ( 0.3194444 0.5532940 0.2727273), wk = 0.0033898 k( 208) = ( 0.3125000 0.5412659 0.2727273), wk = 0.0033898 k( 209) = ( 0.3055556 0.5292378 0.2727273), wk = 0.0033898 k( 210) = ( 0.2986111 0.5172096 0.2727273), wk = 0.0033898 k( 211) = ( 0.2916667 0.5051815 0.2727273), wk = 0.0033898 k( 212) = ( 0.2847222 0.4931534 0.2727273), wk = 0.0033898 k( 213) = ( 0.2777778 0.4811252 0.2727273), wk = 0.0033898 k( 214) = ( 0.2708333 0.4690971 0.2727273), wk = 0.0033898 k( 215) = ( 0.2638889 0.4570690 0.2727273), wk = 0.0033898 k( 216) = ( 0.2569444 0.4450408 0.2727273), wk = 0.0033898 k( 217) = ( 0.2500000 0.4330127 0.2727273), wk = 0.0033898 k( 218) = ( 0.2430556 0.4209846 0.2727273), wk = 0.0033898 k( 219) = ( 0.2361111 0.4089564 0.2727273), wk = 0.0033898 k( 220) = ( 0.2291667 0.3969283 0.2727273), wk = 0.0033898 k( 221) = ( 0.2222222 0.3849002 0.2727273), wk = 0.0033898 k( 222) = ( 0.2152778 0.3728721 0.2727273), wk = 0.0033898 k( 223) = ( 0.2083333 0.3608439 0.2727273), wk = 0.0033898 k( 224) = ( 0.2013889 0.3488158 0.2727273), wk = 0.0033898 k( 225) = ( 0.1944444 0.3367876 0.2727273), wk = 0.0033898 k( 226) = ( 0.1875000 0.3247595 0.2727273), wk = 0.0033898 k( 227) = ( 0.1805556 0.3127314 0.2727273), wk = 0.0033898 k( 228) = ( 0.1736111 0.3007033 0.2727273), wk = 0.0033898 k( 229) = ( 0.1666667 0.2886751 0.2727273), wk = 0.0033898 k( 230) = ( 0.1597222 0.2766470 0.2727273), wk = 0.0033898 k( 231) = ( 0.1527778 0.2646189 0.2727273), wk = 0.0033898 k( 232) = ( 0.1458333 0.2525907 0.2727273), wk = 0.0033898 k( 233) = ( 0.1388889 0.2405626 0.2727273), wk = 0.0033898 k( 234) = ( 0.1319444 0.2285345 0.2727273), wk = 0.0033898 k( 235) = ( 0.1250000 0.2165064 0.2727273), wk = 0.0033898 k( 236) = ( 0.1180556 0.2044782 0.2727273), wk = 0.0033898 k( 237) = ( 0.1111111 0.1924501 0.2727273), wk = 0.0033898 k( 238) = ( 0.1041667 0.1804220 0.2727273), wk = 0.0033898 k( 239) = ( 0.0972222 0.1683938 0.2727273), wk = 0.0033898 k( 240) = ( 0.0902778 0.1563657 0.2727273), wk = 0.0033898 k( 241) = ( 0.0833333 0.1443376 0.2727273), wk = 0.0033898 k( 242) = ( 0.0763889 0.1323094 0.2727273), wk = 0.0033898 k( 243) = ( 0.0694444 0.1202813 0.2727273), wk = 0.0033898 k( 244) = ( 0.0625000 0.1082532 0.2727273), wk = 0.0033898 k( 245) = ( 0.0555556 0.0962251 0.2727273), wk = 0.0033898 k( 246) = ( 0.0486111 0.0841969 0.2727273), wk = 0.0033898 k( 247) = ( 0.0416667 0.0721688 0.2727273), wk = 0.0033898 k( 248) = ( 0.0347222 0.0601406 0.2727273), wk = 0.0033898 k( 249) = ( 0.0277778 0.0481125 0.2727273), wk = 0.0033898 k( 250) = ( 0.0208333 0.0360844 0.2727273), wk = 0.0033898 k( 251) = ( 0.0138889 0.0240563 0.2727273), wk = 0.0033898 k( 252) = ( 0.0069444 0.0120281 0.2727273), wk = 0.0033898 k( 253) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033898 k( 254) = ( 0.5000000 0.2886751 0.2727273), wk = 0.0033898 k( 255) = ( 0.5000000 0.2886751 0.2590909), wk = 0.0033898 k( 256) = ( 0.5000000 0.2886751 0.2454545), wk = 0.0033898 k( 257) = ( 0.5000000 0.2886751 0.2318182), wk = 0.0033898 k( 258) = ( 0.5000000 0.2886751 0.2181818), wk = 0.0033898 k( 259) = ( 0.5000000 0.2886751 0.2045455), wk = 0.0033898 k( 260) = ( 0.5000000 0.2886751 0.1909091), wk = 0.0033898 k( 261) = ( 0.5000000 0.2886751 0.1772727), wk = 0.0033898 k( 262) = ( 0.5000000 0.2886751 0.1636364), wk = 0.0033898 k( 263) = ( 0.5000000 0.2886751 0.1500000), wk = 0.0033898 k( 264) = ( 0.5000000 0.2886751 0.1363636), wk = 0.0033898 k( 265) = ( 0.5000000 0.2886751 0.1227273), wk = 0.0033898 k( 266) = ( 0.5000000 0.2886751 0.1090909), wk = 0.0033898 k( 267) = ( 0.5000000 0.2886751 0.0954545), wk = 0.0033898 k( 268) = ( 0.5000000 0.2886751 0.0818182), wk = 0.0033898 k( 269) = ( 0.5000000 0.2886751 0.0681818), wk = 0.0033898 k( 270) = ( 0.5000000 0.2886751 0.0545455), wk = 0.0033898 k( 271) = ( 0.5000000 0.2886751 0.0409091), wk = 0.0033898 k( 272) = ( 0.5000000 0.2886751 0.0272727), wk = 0.0033898 k( 273) = ( 0.5000000 0.2886751 0.0136364), wk = 0.0033898 k( 274) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 275) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 276) = ( 0.3333333 0.5773503 0.0136364), wk = 0.0033898 k( 277) = ( 0.3333333 0.5773503 0.0272727), wk = 0.0033898 k( 278) = ( 0.3333333 0.5773503 0.0409091), wk = 0.0033898 k( 279) = ( 0.3333333 0.5773503 0.0545455), wk = 0.0033898 k( 280) = ( 0.3333333 0.5773503 0.0681818), wk = 0.0033898 k( 281) = ( 0.3333333 0.5773503 0.0818182), wk = 0.0033898 k( 282) = ( 0.3333333 0.5773503 0.0954545), wk = 0.0033898 k( 283) = ( 0.3333333 0.5773503 0.1090909), wk = 0.0033898 k( 284) = ( 0.3333333 0.5773503 0.1227273), wk = 0.0033898 k( 285) = ( 0.3333333 0.5773503 0.1363636), wk = 0.0033898 k( 286) = ( 0.3333333 0.5773503 0.1500000), wk = 0.0033898 k( 287) = ( 0.3333333 0.5773503 0.1636364), wk = 0.0033898 k( 288) = ( 0.3333333 0.5773503 0.1772727), wk = 0.0033898 k( 289) = ( 0.3333333 0.5773503 0.1909091), wk = 0.0033898 k( 290) = ( 0.3333333 0.5773503 0.2045455), wk = 0.0033898 k( 291) = ( 0.3333333 0.5773503 0.2181818), wk = 0.0033898 k( 292) = ( 0.3333333 0.5773503 0.2318182), wk = 0.0033898 k( 293) = ( 0.3333333 0.5773503 0.2454545), wk = 0.0033898 k( 294) = ( 0.3333333 0.5773503 0.2590909), wk = 0.0033898 k( 295) = ( 0.3333333 0.5773503 0.2727273), wk = 0.0033898 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0121951 0.0000000 -0.0000000), wk = 0.0033898 k( 3) = ( 0.0243902 0.0000000 -0.0000000), wk = 0.0033898 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0033898 k( 5) = ( 0.0487805 0.0000000 -0.0000000), wk = 0.0033898 k( 6) = ( 0.0609756 -0.0000000 -0.0000000), wk = 0.0033898 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0033898 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0033898 k( 9) = ( 0.0975610 0.0000000 -0.0000000), wk = 0.0033898 k( 10) = ( 0.1097561 0.0000000 -0.0000000), wk = 0.0033898 k( 11) = ( 0.1219512 -0.0000000 -0.0000000), wk = 0.0033898 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0033898 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0033898 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0033898 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0033898 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0033898 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0033898 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0033898 k( 19) = ( 0.2195122 0.0000000 -0.0000000), wk = 0.0033898 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0033898 k( 21) = ( 0.2439024 -0.0000000 -0.0000000), wk = 0.0033898 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0033898 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0033898 k( 24) = ( 0.2804878 0.0000000 -0.0000000), wk = 0.0033898 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0033898 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0033898 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0033898 k( 28) = ( 0.3292683 -0.0000000 0.0000000), wk = 0.0033898 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0033898 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0033898 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0033898 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0033898 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0033898 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0033898 k( 35) = ( 0.4146341 0.0000000 -0.0000000), wk = 0.0033898 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0033898 k( 37) = ( 0.4390244 0.0000000 -0.0000000), wk = 0.0033898 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0033898 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0033898 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0033898 k( 41) = ( 0.4878049 -0.0000000 -0.0000000), wk = 0.0033898 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033898 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033898 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033898 k( 45) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0033898 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033898 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0033898 k( 48) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0033898 k( 49) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033898 k( 50) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0033898 k( 51) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033898 k( 52) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0033898 k( 53) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033898 k( 54) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0033898 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033898 k( 56) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0033898 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033898 k( 58) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0033898 k( 59) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033898 k( 60) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0033898 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033898 k( 62) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0033898 k( 63) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0033898 k( 64) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0033898 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0033898 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033898 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033898 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033898 k( 69) = ( 0.3263889 0.3263889 0.0000000), wk = 0.0033898 k( 70) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0033898 k( 71) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033898 k( 72) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0033898 k( 73) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0033898 k( 74) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033898 k( 75) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0033898 k( 76) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0033898 k( 77) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033898 k( 78) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0033898 k( 79) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0033898 k( 80) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033898 k( 81) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0033898 k( 82) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0033898 k( 83) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033898 k( 84) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033898 k( 85) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0033898 k( 86) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033898 k( 87) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0033898 k( 88) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0033898 k( 89) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033898 k( 90) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0033898 k( 91) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0033898 k( 92) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033898 k( 93) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0033898 k( 94) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0033898 k( 95) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033898 k( 96) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0033898 k( 97) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0033898 k( 98) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033898 k( 99) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0033898 k( 100) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033898 k( 101) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0033898 k( 102) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0033898 k( 103) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0033898 k( 104) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033898 k( 105) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0033898 k( 106) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0033898 k( 107) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033898 k( 108) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0033898 k( 109) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0033898 k( 110) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033898 k( 111) = ( 0.0347222 0.0347222 -0.0000000), wk = 0.0033898 k( 112) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0033898 k( 113) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033898 k( 114) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0033898 k( 115) = ( 0.0069444 0.0069444 -0.0000000), wk = 0.0033898 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 118) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0033898 k( 119) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0033898 k( 131) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033898 k( 132) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033898 k( 133) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033898 k( 134) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0033898 k( 135) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033898 k( 136) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0033898 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 139) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0033898 k( 140) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0033898 k( 141) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0033898 k( 142) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0033898 k( 143) = ( 0.0609756 -0.0000000 0.5000000), wk = 0.0033898 k( 144) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0033898 k( 145) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0033898 k( 146) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0033898 k( 147) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0033898 k( 148) = ( 0.1219512 -0.0000000 0.5000000), wk = 0.0033898 k( 149) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0033898 k( 150) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0033898 k( 151) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0033898 k( 152) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0033898 k( 153) = ( 0.1829268 -0.0000000 0.5000000), wk = 0.0033898 k( 154) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0033898 k( 155) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0033898 k( 156) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0033898 k( 157) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0033898 k( 158) = ( 0.2439024 -0.0000000 0.5000000), wk = 0.0033898 k( 159) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0033898 k( 160) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0033898 k( 161) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0033898 k( 162) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0033898 k( 163) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0033898 k( 164) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0033898 k( 165) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0033898 k( 166) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0033898 k( 167) = ( 0.3536585 -0.0000000 0.5000000), wk = 0.0033898 k( 168) = ( 0.3658537 -0.0000000 0.5000000), wk = 0.0033898 k( 169) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0033898 k( 170) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0033898 k( 171) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0033898 k( 172) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0033898 k( 173) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0033898 k( 174) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0033898 k( 175) = ( 0.4512195 -0.0000000 0.5000000), wk = 0.0033898 k( 176) = ( 0.4634146 -0.0000000 0.5000000), wk = 0.0033898 k( 177) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0033898 k( 178) = ( 0.4878049 -0.0000000 0.5000000), wk = 0.0033898 k( 179) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033898 k( 180) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033898 k( 181) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033898 k( 182) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033898 k( 183) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033898 k( 184) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033898 k( 185) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033898 k( 186) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033898 k( 187) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033898 k( 188) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033898 k( 189) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033898 k( 190) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033898 k( 191) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033898 k( 192) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033898 k( 193) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033898 k( 194) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033898 k( 195) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033898 k( 196) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033898 k( 197) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033898 k( 198) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033898 k( 199) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033898 k( 200) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033898 k( 201) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033898 k( 202) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033898 k( 203) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033898 k( 204) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 k( 205) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 k( 206) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033898 k( 207) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033898 k( 208) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033898 k( 209) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033898 k( 210) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033898 k( 211) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033898 k( 212) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033898 k( 213) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033898 k( 214) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033898 k( 215) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033898 k( 216) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033898 k( 217) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033898 k( 218) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033898 k( 219) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033898 k( 220) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033898 k( 221) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033898 k( 222) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033898 k( 223) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033898 k( 224) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033898 k( 225) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033898 k( 226) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033898 k( 227) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033898 k( 228) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033898 k( 229) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033898 k( 230) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033898 k( 231) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033898 k( 232) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033898 k( 233) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033898 k( 234) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033898 k( 235) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033898 k( 236) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033898 k( 237) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033898 k( 238) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033898 k( 239) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033898 k( 240) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033898 k( 241) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033898 k( 242) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033898 k( 243) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033898 k( 244) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033898 k( 245) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033898 k( 246) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033898 k( 247) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033898 k( 248) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033898 k( 249) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033898 k( 250) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033898 k( 251) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033898 k( 252) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033898 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033898 k( 255) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0033898 k( 256) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0033898 k( 257) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0033898 k( 258) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0033898 k( 259) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0033898 k( 260) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0033898 k( 261) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0033898 k( 262) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0033898 k( 263) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0033898 k( 264) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033898 k( 265) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0033898 k( 266) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0033898 k( 267) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0033898 k( 268) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0033898 k( 269) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0033898 k( 270) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0033898 k( 271) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0033898 k( 272) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0033898 k( 273) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0033898 k( 274) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033898 k( 275) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033898 k( 276) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0033898 k( 277) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0033898 k( 278) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0033898 k( 279) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0033898 k( 280) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033898 k( 281) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0033898 k( 282) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0033898 k( 283) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0033898 k( 284) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0033898 k( 285) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033898 k( 286) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0033898 k( 287) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0033898 k( 288) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0033898 k( 289) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0033898 k( 290) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033898 k( 291) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0033898 k( 292) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0033898 k( 293) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0033898 k( 294) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0033898 k( 295) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 Dense grid: 71805 G-vectors FFT dimensions: ( 45, 45, 81) Smooth grid: 39487 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 286, 62) NL pseudopotentials 0.45 Mb ( 143, 204) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 1997) G-vector shells 0.01 Mb ( 964) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.08 Mb ( 286, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaCuSb.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.9 secs Computing kpt #: 2 total cpu time spent up to now is 6.9 secs Computing kpt #: 3 total cpu time spent up to now is 7.8 secs Computing kpt #: 4 total cpu time spent up to now is 8.8 secs Computing kpt #: 5 total cpu time spent up to now is 9.7 secs Computing kpt #: 6 total cpu time spent up to now is 10.8 secs Computing kpt #: 7 total cpu time spent up to now is 12.7 secs Computing kpt #: 8 total cpu time spent up to now is 13.8 secs Computing kpt #: 9 total cpu time spent up to now is 14.8 secs Computing kpt #: 10 total cpu time spent up to now is 15.8 secs Computing kpt #: 11 total cpu time spent up to now is 16.9 secs Computing kpt #: 12 total cpu time spent up to now is 17.9 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 19.9 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.0 secs Computing kpt #: 15 total cpu time spent up to now is 23.2 secs Computing kpt #: 16 total cpu time spent up to now is 24.6 secs Computing kpt #: 17 total cpu time spent up to now is 25.8 secs Computing kpt #: 18 total cpu time spent up to now is 27.0 secs Computing kpt #: 19 total cpu time spent up to now is 28.3 secs Computing kpt #: 20 total cpu time spent up to now is 29.4 secs Computing kpt #: 21 total cpu time spent up to now is 30.7 secs Computing kpt #: 22 total cpu time spent up to now is 31.9 secs Computing kpt #: 23 total cpu time spent up to now is 33.1 secs Computing kpt #: 24 total cpu time spent up to now is 34.3 secs Computing kpt #: 25 total cpu time spent up to now is 35.5 secs Computing kpt #: 26 total cpu time spent up to now is 36.8 secs Computing kpt #: 27 total cpu time spent up to now is 38.2 secs Computing kpt #: 28 total cpu time spent up to now is 39.4 secs Computing kpt #: 29 total cpu time spent up to now is 40.7 secs Computing kpt #: 30 total cpu time spent up to now is 41.8 secs Computing kpt #: 31 total cpu time spent up to now is 42.9 secs Computing kpt #: 32 total cpu time spent up to now is 44.0 secs Computing kpt #: 33 total cpu time spent up to now is 45.2 secs Computing kpt #: 34 total cpu time spent up to now is 46.3 secs Computing kpt #: 35 total cpu time spent up to now is 47.4 secs Computing kpt #: 36 total cpu time spent up to now is 48.6 secs Computing kpt #: 37 total cpu time spent up to now is 49.7 secs Computing kpt #: 38 total cpu time spent up to now is 50.9 secs Computing kpt #: 39 total cpu time spent up to now is 52.1 secs Computing kpt #: 40 total cpu time spent up to now is 53.2 secs Computing kpt #: 41 total cpu time spent up to now is 54.7 secs Computing kpt #: 42 total cpu time spent up to now is 56.2 secs Computing kpt #: 43 total cpu time spent up to now is 57.7 secs Computing kpt #: 44 total cpu time spent up to now is 59.2 secs Computing kpt #: 45 total cpu time spent up to now is 60.5 secs Computing kpt #: 46 total cpu time spent up to now is 61.5 secs Computing kpt #: 47 total cpu time spent up to now is 62.5 secs Computing kpt #: 48 total cpu time spent up to now is 63.4 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.4 secs Computing kpt #: 50 total cpu time spent up to now is 66.7 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 68.6 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 70.7 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.7 secs Computing kpt #: 54 total cpu time spent up to now is 73.6 secs Computing kpt #: 55 total cpu time spent up to now is 74.4 secs Computing kpt #: 56 total cpu time spent up to now is 75.3 secs Computing kpt #: 57 total cpu time spent up to now is 76.2 secs Computing kpt #: 58 total cpu time spent up to now is 77.1 secs Computing kpt #: 59 total cpu time spent up to now is 78.0 secs Computing kpt #: 60 total cpu time spent up to now is 78.8 secs Computing kpt #: 61 total cpu time spent up to now is 79.8 secs Computing kpt #: 62 total cpu time spent up to now is 80.7 secs Computing kpt #: 63 total cpu time spent up to now is 82.0 secs Computing kpt #: 64 total cpu time spent up to now is 82.9 secs Computing kpt #: 65 total cpu time spent up to now is 83.9 secs Computing kpt #: 66 total cpu time spent up to now is 85.0 secs Computing kpt #: 67 total cpu time spent up to now is 86.2 secs Computing kpt #: 68 total cpu time spent up to now is 87.2 secs Computing kpt #: 69 total cpu time spent up to now is 88.2 secs Computing kpt #: 70 total cpu time spent up to now is 89.1 secs Computing kpt #: 71 total cpu time spent up to now is 90.0 secs Computing kpt #: 72 total cpu time spent up to now is 90.8 secs Computing kpt #: 73 total cpu time spent up to now is 91.7 secs Computing kpt #: 74 total cpu time spent up to now is 92.5 secs Computing kpt #: 75 total cpu time spent up to now is 93.3 secs Computing kpt #: 76 total cpu time spent up to now is 94.1 secs Computing kpt #: 77 total cpu time spent up to now is 95.0 secs Computing kpt #: 78 total cpu time spent up to now is 96.0 secs Computing kpt #: 79 total cpu time spent up to now is 97.7 secs Computing kpt #: 80 total cpu time spent up to now is 98.7 secs Computing kpt #: 81 total cpu time spent up to now is 99.6 secs Computing kpt #: 82 total cpu time spent up to now is 100.5 secs Computing kpt #: 83 total cpu time spent up to now is 101.4 secs Computing kpt #: 84 total cpu time spent up to now is 102.2 secs Computing kpt #: 85 total cpu time spent up to now is 103.0 secs Computing kpt #: 86 total cpu time spent up to now is 103.9 secs Computing kpt #: 87 total cpu time spent up to now is 104.8 secs Computing kpt #: 88 total cpu time spent up to now is 105.7 secs Computing kpt #: 89 total cpu time spent up to now is 106.6 secs Computing kpt #: 90 total cpu time spent up to now is 107.6 secs Computing kpt #: 91 total cpu time spent up to now is 108.7 secs Computing kpt #: 92 total cpu time spent up to now is 110.1 secs Computing kpt #: 93 total cpu time spent up to now is 111.4 secs Computing kpt #: 94 total cpu time spent up to now is 112.6 secs Computing kpt #: 95 total cpu time spent up to now is 113.9 secs Computing kpt #: 96 total cpu time spent up to now is 115.1 secs Computing kpt #: 97 total cpu time spent up to now is 116.3 secs Computing kpt #: 98 total cpu time spent up to now is 117.4 secs Computing kpt #: 99 total cpu time spent up to now is 118.7 secs Computing kpt #: 100 total cpu time spent up to now is 120.0 secs Computing kpt #: 101 total cpu time spent up to now is 121.5 secs Computing kpt #: 102 total cpu time spent up to now is 122.6 secs Computing kpt #: 103 total cpu time spent up to now is 123.9 secs Computing kpt #: 104 total cpu time spent up to now is 125.6 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 127.7 secs Computing kpt #: 106 total cpu time spent up to now is 128.6 secs Computing kpt #: 107 total cpu time spent up to now is 129.5 secs Computing kpt #: 108 total cpu time spent up to now is 130.4 secs Computing kpt #: 109 total cpu time spent up to now is 131.4 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.4 secs Computing kpt #: 111 total cpu time spent up to now is 134.6 secs Computing kpt #: 112 total cpu time spent up to now is 135.6 secs Computing kpt #: 113 total cpu time spent up to now is 136.5 secs Computing kpt #: 114 total cpu time spent up to now is 137.5 secs Computing kpt #: 115 total cpu time spent up to now is 138.4 secs Computing kpt #: 116 total cpu time spent up to now is 139.5 secs Computing kpt #: 117 total cpu time spent up to now is 140.6 secs Computing kpt #: 118 total cpu time spent up to now is 141.7 secs Computing kpt #: 119 total cpu time spent up to now is 142.8 secs Computing kpt #: 120 total cpu time spent up to now is 143.8 secs Computing kpt #: 121 total cpu time spent up to now is 144.8 secs Computing kpt #: 122 total cpu time spent up to now is 145.8 secs Computing kpt #: 123 total cpu time spent up to now is 146.9 secs Computing kpt #: 124 total cpu time spent up to now is 147.9 secs Computing kpt #: 125 total cpu time spent up to now is 149.0 secs Computing kpt #: 126 total cpu time spent up to now is 150.0 secs Computing kpt #: 127 total cpu time spent up to now is 151.0 secs Computing kpt #: 128 total cpu time spent up to now is 152.0 secs Computing kpt #: 129 total cpu time spent up to now is 153.0 secs Computing kpt #: 130 total cpu time spent up to now is 154.2 secs Computing kpt #: 131 total cpu time spent up to now is 155.5 secs Computing kpt #: 132 total cpu time spent up to now is 157.1 secs Computing kpt #: 133 total cpu time spent up to now is 158.7 secs Computing kpt #: 134 total cpu time spent up to now is 160.2 secs Computing kpt #: 135 total cpu time spent up to now is 161.6 secs Computing kpt #: 136 total cpu time spent up to now is 162.9 secs Computing kpt #: 137 total cpu time spent up to now is 164.4 secs Computing kpt #: 138 total cpu time spent up to now is 165.7 secs Computing kpt #: 139 total cpu time spent up to now is 166.9 secs Computing kpt #: 140 total cpu time spent up to now is 168.2 secs Computing kpt #: 141 total cpu time spent up to now is 169.7 secs Computing kpt #: 142 total cpu time spent up to now is 171.2 secs Computing kpt #: 143 total cpu time spent up to now is 172.4 secs Computing kpt #: 144 total cpu time spent up to now is 173.7 secs Computing kpt #: 145 total cpu time spent up to now is 174.9 secs Computing kpt #: 146 total cpu time spent up to now is 176.1 secs Computing kpt #: 147 total cpu time spent up to now is 177.3 secs Computing kpt #: 148 total cpu time spent up to now is 178.5 secs Computing kpt #: 149 total cpu time spent up to now is 179.8 secs Computing kpt #: 150 total cpu time spent up to now is 181.1 secs Computing kpt #: 151 total cpu time spent up to now is 182.3 secs Computing kpt #: 152 total cpu time spent up to now is 184.7 secs Computing kpt #: 153 total cpu time spent up to now is 186.0 secs Computing kpt #: 154 total cpu time spent up to now is 187.2 secs Computing kpt #: 155 total cpu time spent up to now is 188.4 secs Computing kpt #: 156 total cpu time spent up to now is 189.5 secs Computing kpt #: 157 total cpu time spent up to now is 190.5 secs Computing kpt #: 158 total cpu time spent up to now is 191.6 secs Computing kpt #: 159 total cpu time spent up to now is 192.7 secs Computing kpt #: 160 total cpu time spent up to now is 193.9 secs Computing kpt #: 161 total cpu time spent up to now is 194.9 secs Computing kpt #: 162 total cpu time spent up to now is 196.0 secs Computing kpt #: 163 total cpu time spent up to now is 197.1 secs Computing kpt #: 164 total cpu time spent up to now is 198.0 secs Computing kpt #: 165 total cpu time spent up to now is 199.1 secs Computing kpt #: 166 total cpu time spent up to now is 200.2 secs Computing kpt #: 167 total cpu time spent up to now is 201.3 secs Computing kpt #: 168 total cpu time spent up to now is 202.4 secs Computing kpt #: 169 total cpu time spent up to now is 203.6 secs Computing kpt #: 170 total cpu time spent up to now is 204.6 secs Computing kpt #: 171 total cpu time spent up to now is 205.6 secs Computing kpt #: 172 total cpu time spent up to now is 206.6 secs Computing kpt #: 173 total cpu time spent up to now is 207.7 secs Computing kpt #: 174 total cpu time spent up to now is 208.8 secs Computing kpt #: 175 total cpu time spent up to now is 209.7 secs Computing kpt #: 176 total cpu time spent up to now is 210.6 secs Computing kpt #: 177 total cpu time spent up to now is 211.6 secs Computing kpt #: 178 total cpu time spent up to now is 212.4 secs Computing kpt #: 179 total cpu time spent up to now is 213.3 secs Computing kpt #: 180 total cpu time spent up to now is 214.3 secs Computing kpt #: 181 total cpu time spent up to now is 215.3 secs Computing kpt #: 182 total cpu time spent up to now is 216.7 secs Computing kpt #: 183 total cpu time spent up to now is 217.9 secs Computing kpt #: 184 total cpu time spent up to now is 219.4 secs Computing kpt #: 185 total cpu time spent up to now is 221.0 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 223.0 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 225.0 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 227.0 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.0 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 231.0 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.0 secs Computing kpt #: 192 total cpu time spent up to now is 235.6 secs Computing kpt #: 193 total cpu time spent up to now is 236.8 secs Computing kpt #: 194 total cpu time spent up to now is 238.0 secs Computing kpt #: 195 total cpu time spent up to now is 239.4 secs Computing kpt #: 196 total cpu time spent up to now is 240.7 secs Computing kpt #: 197 total cpu time spent up to now is 241.9 secs Computing kpt #: 198 total cpu time spent up to now is 243.1 secs Computing kpt #: 199 total cpu time spent up to now is 244.1 secs Computing kpt #: 200 total cpu time spent up to now is 245.3 secs Computing kpt #: 201 total cpu time spent up to now is 246.4 secs Computing kpt #: 202 total cpu time spent up to now is 247.6 secs Computing kpt #: 203 total cpu time spent up to now is 248.5 secs Computing kpt #: 204 total cpu time spent up to now is 249.5 secs Computing kpt #: 205 total cpu time spent up to now is 250.7 secs Computing kpt #: 206 total cpu time spent up to now is 251.8 secs Computing kpt #: 207 total cpu time spent up to now is 252.9 secs Computing kpt #: 208 total cpu time spent up to now is 254.1 secs Computing kpt #: 209 total cpu time spent up to now is 255.4 secs Computing kpt #: 210 total cpu time spent up to now is 256.5 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 258.6 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 260.6 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 262.7 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.9 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.0 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.1 secs Computing kpt #: 217 total cpu time spent up to now is 271.0 secs Computing kpt #: 218 total cpu time spent up to now is 272.1 secs Computing kpt #: 219 total cpu time spent up to now is 273.1 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 275.1 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.1 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.2 secs Computing kpt #: 223 total cpu time spent up to now is 280.4 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 282.5 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 284.5 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.5 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.7 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 290.7 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.8 secs Computing kpt #: 230 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.9 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.0 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.1 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 301.1 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 303.2 secs Computing kpt #: 235 total cpu time spent up to now is 304.7 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.7 secs Computing kpt #: 237 total cpu time spent up to now is 308.4 secs Computing kpt #: 238 total cpu time spent up to now is 309.7 secs Computing kpt #: 239 total cpu time spent up to now is 311.2 secs Computing kpt #: 240 total cpu time spent up to now is 312.5 secs Computing kpt #: 241 total cpu time spent up to now is 313.8 secs Computing kpt #: 242 total cpu time spent up to now is 315.2 secs Computing kpt #: 243 total cpu time spent up to now is 316.4 secs Computing kpt #: 244 total cpu time spent up to now is 317.6 secs Computing kpt #: 245 total cpu time spent up to now is 318.9 secs Computing kpt #: 246 total cpu time spent up to now is 320.2 secs Computing kpt #: 247 total cpu time spent up to now is 321.3 secs Computing kpt #: 248 total cpu time spent up to now is 322.6 secs Computing kpt #: 249 total cpu time spent up to now is 323.9 secs Computing kpt #: 250 total cpu time spent up to now is 325.2 secs Computing kpt #: 251 total cpu time spent up to now is 326.5 secs Computing kpt #: 252 total cpu time spent up to now is 327.9 secs Computing kpt #: 253 total cpu time spent up to now is 329.2 secs Computing kpt #: 254 total cpu time spent up to now is 330.1 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 332.1 secs Computing kpt #: 256 total cpu time spent up to now is 333.3 secs Computing kpt #: 257 total cpu time spent up to now is 334.1 secs Computing kpt #: 258 total cpu time spent up to now is 335.0 secs Computing kpt #: 259 total cpu time spent up to now is 335.9 secs Computing kpt #: 260 total cpu time spent up to now is 336.9 secs Computing kpt #: 261 total cpu time spent up to now is 337.9 secs Computing kpt #: 262 total cpu time spent up to now is 338.8 secs Computing kpt #: 263 total cpu time spent up to now is 339.7 secs Computing kpt #: 264 total cpu time spent up to now is 340.6 secs Computing kpt #: 265 total cpu time spent up to now is 341.6 secs Computing kpt #: 266 total cpu time spent up to now is 342.7 secs Computing kpt #: 267 total cpu time spent up to now is 343.6 secs Computing kpt #: 268 total cpu time spent up to now is 344.6 secs Computing kpt #: 269 total cpu time spent up to now is 345.6 secs Computing kpt #: 270 total cpu time spent up to now is 346.8 secs Computing kpt #: 271 total cpu time spent up to now is 348.1 secs Computing kpt #: 272 total cpu time spent up to now is 349.5 secs Computing kpt #: 273 total cpu time spent up to now is 350.9 secs Computing kpt #: 274 total cpu time spent up to now is 352.3 secs Computing kpt #: 275 total cpu time spent up to now is 353.3 secs Computing kpt #: 276 total cpu time spent up to now is 354.3 secs Computing kpt #: 277 total cpu time spent up to now is 355.3 secs Computing kpt #: 278 total cpu time spent up to now is 356.3 secs Computing kpt #: 279 total cpu time spent up to now is 357.4 secs Computing kpt #: 280 total cpu time spent up to now is 358.4 secs Computing kpt #: 281 total cpu time spent up to now is 359.3 secs Computing kpt #: 282 total cpu time spent up to now is 360.3 secs Computing kpt #: 283 total cpu time spent up to now is 361.3 secs Computing kpt #: 284 total cpu time spent up to now is 362.4 secs Computing kpt #: 285 total cpu time spent up to now is 363.5 secs Computing kpt #: 286 total cpu time spent up to now is 364.6 secs Computing kpt #: 287 total cpu time spent up to now is 365.7 secs Computing kpt #: 288 total cpu time spent up to now is 366.9 secs Computing kpt #: 289 total cpu time spent up to now is 368.0 secs Computing kpt #: 290 total cpu time spent up to now is 369.1 secs Computing kpt #: 291 total cpu time spent up to now is 370.1 secs Computing kpt #: 292 total cpu time spent up to now is 371.2 secs Computing kpt #: 293 total cpu time spent up to now is 372.3 secs Computing kpt #: 294 total cpu time spent up to now is 373.5 secs Computing kpt #: 295 total cpu time spent up to now is 374.7 secs ethr = 1.92E-08, avg # of iterations = 54.3 total cpu time spent up to now is 374.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4923 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2172 -14.2172 -14.1953 -14.1953 -13.8613 -13.8613 -13.8217 -13.8217 -13.8134 -13.8134 -13.8066 -13.8066 -2.1671 -2.1671 -1.4771 -1.4771 3.9501 3.9501 4.4275 4.4275 4.4791 4.4791 4.5653 4.5653 4.6228 4.6228 5.1799 5.1799 5.3642 5.3642 5.4252 5.4252 5.4255 5.4255 5.5434 5.5434 5.7188 5.7188 7.5631 7.5631 7.8217 7.8217 7.9785 7.9785 8.8543 8.8543 9.1277 9.1277 9.5910 9.5910 9.6033 9.6033 9.9918 9.9918 10.1075 10.1075 10.1078 10.1078 k = 0.0122 0.0070-0.0000 ( 4923 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2172 -14.2172 -14.1953 -14.1953 -13.8613 -13.8613 -13.8217 -13.8217 -13.8135 -13.8135 -13.8067 -13.8067 -2.1659 -2.1659 -1.4763 -1.4763 3.9513 3.9513 4.4274 4.4274 4.4789 4.4789 4.5650 4.5650 4.6224 4.6224 5.1800 5.1800 5.3644 5.3644 5.4251 5.4251 5.4255 5.4255 5.5436 5.5436 5.7188 5.7188 7.5627 7.5627 7.8145 7.8145 7.9705 7.9705 8.8359 8.8359 9.1018 9.1018 9.5924 9.5924 9.6163 9.6163 10.0119 10.0119 10.1191 10.1191 10.1237 10.1237 k = 0.0244 0.0141-0.0000 ( 4907 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2172 -14.2172 -14.1953 -14.1953 -13.8613 -13.8613 -13.8217 -13.8217 -13.8136 -13.8136 -13.8067 -13.8067 -2.1622 -2.1622 -1.4741 -1.4741 3.9546 3.9546 4.4272 4.4272 4.4785 4.4785 4.5642 4.5642 4.6212 4.6212 5.1802 5.1802 5.3649 5.3649 5.4243 5.4243 5.4257 5.4257 5.5441 5.5441 5.7187 5.7187 7.5617 7.5617 7.7912 7.7912 7.9496 7.9496 8.7810 8.7810 9.0368 9.0368 9.5945 9.5945 9.6538 9.6538 10.0454 10.0454 10.1537 10.1537 10.1872 10.1872 k = 0.0366 0.0211-0.0000 ( 4911 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2172 -14.2172 -14.1955 -14.1955 -13.8613 -13.8613 -13.8218 -13.8218 -13.8138 -13.8138 -13.8069 -13.8069 -2.1560 -2.1560 -1.4704 -1.4704 3.9601 3.9601 4.4263 4.4263 4.4781 4.4781 4.5622 4.5622 4.6197 4.6197 5.1804 5.1804 5.3658 5.3658 5.4228 5.4228 5.4263 5.4263 5.5450 5.5450 5.7184 5.7184 7.5599 7.5599 7.7478 7.7478 7.9230 7.9230 8.6926 8.6926 8.9549 8.9549 9.5949 9.5949 9.7118 9.7118 10.0682 10.0682 10.2082 10.2082 10.3036 10.3036 k = 0.0488 0.0282-0.0000 ( 4907 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2173 -14.2173 -14.1956 -14.1956 -13.8614 -13.8614 -13.8218 -13.8218 -13.8140 -13.8140 -13.8071 -13.8071 -2.1474 -2.1474 -1.4653 -1.4653 3.9678 3.9678 4.4244 4.4244 4.4782 4.4782 4.5586 4.5586 4.6186 4.6186 5.1808 5.1808 5.3670 5.3670 5.4207 5.4207 5.4270 5.4270 5.5463 5.5463 5.7182 5.7182 7.5571 7.5571 7.6832 7.6832 7.8967 7.8967 8.5779 8.5779 8.8685 8.8685 9.5931 9.5931 9.7829 9.7829 10.0904 10.0904 10.2781 10.2781 10.4504 10.4504 k = 0.0610 0.0352-0.0000 ( 4903 PWs) bands (ev): -32.9352 -32.9352 -32.9320 -32.9320 -14.2173 -14.2173 -14.1958 -14.1958 -13.8614 -13.8614 -13.8219 -13.8219 -13.8143 -13.8143 -13.8073 -13.8073 -2.1364 -2.1364 -1.4586 -1.4586 3.9776 3.9776 4.4209 4.4209 4.4792 4.4792 4.5526 4.5526 4.6184 4.6184 5.1811 5.1811 5.3685 5.3685 5.4181 5.4181 5.4279 5.4279 5.5481 5.5481 5.7179 5.7179 7.5519 7.5519 7.6018 7.6018 7.8716 7.8716 8.4466 8.4466 8.7808 8.7808 9.5891 9.5891 9.8569 9.8569 10.1229 10.1229 10.3595 10.3595 10.6132 10.6132 k = 0.0732 0.0422-0.0000 ( 4903 PWs) bands (ev): -32.9351 -32.9351 -32.9320 -32.9320 -14.2174 -14.2174 -14.1960 -14.1960 -13.8614 -13.8614 -13.8220 -13.8220 -13.8147 -13.8147 -13.8077 -13.8077 -2.1229 -2.1229 -1.4506 -1.4506 3.9894 3.9894 4.4155 4.4155 4.4817 4.4817 4.5437 4.5437 4.6197 4.6197 5.1815 5.1815 5.3702 5.3702 5.4149 5.4149 5.4291 5.4291 5.5502 5.5502 5.7175 5.7175 7.5011 7.5011 7.5517 7.5517 7.8464 7.8464 8.3071 8.3071 8.6919 8.6919 9.5829 9.5829 9.9210 9.9210 10.1765 10.1765 10.4491 10.4491 10.7582 10.7582 k = 0.0854 0.0493-0.0000 ( 4903 PWs) bands (ev): -32.9351 -32.9351 -32.9320 -32.9320 -14.2175 -14.2175 -14.1962 -14.1962 -13.8614 -13.8614 -13.8221 -13.8221 -13.8152 -13.8152 -13.8081 -13.8081 -2.1071 -2.1071 -1.4412 -1.4412 4.0031 4.0031 4.4078 4.4078 4.4855 4.4855 4.5318 4.5318 4.6227 4.6227 5.1819 5.1819 5.3721 5.3721 5.4113 5.4113 5.4305 5.4305 5.5530 5.5530 5.7171 5.7171 7.3980 7.3980 7.5428 7.5428 7.8201 7.8201 8.1649 8.1649 8.6019 8.6019 9.5743 9.5743 9.9668 9.9668 10.2565 10.2565 10.5444 10.5444 10.7117 10.7117 k = 0.0976 0.0563-0.0000 ( 4897 PWs) bands (ev): -32.9351 -32.9351 -32.9319 -32.9319 -14.2176 -14.2176 -14.1965 -14.1965 -13.8615 -13.8615 -13.8222 -13.8222 -13.8156 -13.8156 -13.8085 -13.8085 -2.0889 -2.0889 -1.4303 -1.4303 4.0186 4.0186 4.3980 4.3980 4.4898 4.4898 4.5179 4.5179 4.6273 4.6273 5.1822 5.1822 5.3742 5.3742 5.4074 5.4074 5.4321 5.4321 5.5563 5.5563 5.7167 5.7167 7.2880 7.2880 7.5315 7.5315 7.7920 7.7920 8.0245 8.0245 8.5111 8.5111 9.5631 9.5631 9.9974 9.9974 10.3572 10.3572 10.6434 10.6434 10.6598 10.6598 k = 0.1098 0.0634-0.0000 ( 4899 PWs) bands (ev): -32.9350 -32.9350 -32.9319 -32.9319 -14.2178 -14.2178 -14.1968 -14.1968 -13.8616 -13.8616 -13.8224 -13.8224 -13.8161 -13.8161 -13.8091 -13.8091 -2.0684 -2.0684 -1.4182 -1.4182 4.0357 4.0357 4.3862 4.3862 4.4887 4.4887 4.5079 4.5079 4.6333 4.6333 5.1823 5.1823 5.3764 5.3764 5.4032 5.4032 5.4338 5.4338 5.5602 5.5602 5.7164 5.7164 7.1744 7.1744 7.5135 7.5135 7.7617 7.7617 7.8910 7.8910 8.4202 8.4202 9.5490 9.5490 10.0199 10.0199 10.4688 10.4688 10.6027 10.6027 10.7453 10.7453 k = 0.1220 0.0704-0.0000 ( 4911 PWs) bands (ev): -32.9350 -32.9350 -32.9319 -32.9319 -14.2180 -14.2180 -14.1971 -14.1971 -13.8617 -13.8617 -13.8227 -13.8227 -13.8167 -13.8167 -13.8096 -13.8096 -2.0457 -2.0457 -1.4047 -1.4047 4.0542 4.0542 4.3727 4.3727 4.4719 4.4719 4.5119 4.5119 4.6405 4.6405 5.1822 5.1822 5.3783 5.3783 5.3991 5.3991 5.4358 5.4358 5.5649 5.5649 5.7160 5.7160 7.0590 7.0590 7.4814 7.4814 7.7294 7.7294 7.7725 7.7725 8.3295 8.3295 9.5318 9.5318 10.0390 10.0390 10.5417 10.5417 10.5841 10.5841 10.8478 10.8478 k = 0.1341 0.0774-0.0000 ( 4917 PWs) bands (ev): -32.9349 -32.9349 -32.9318 -32.9318 -14.2181 -14.2181 -14.1975 -14.1975 -13.8617 -13.8617 -13.8230 -13.8230 -13.8172 -13.8172 -13.8102 -13.8102 -2.0208 -2.0208 -1.3900 -1.3900 4.0737 4.0737 4.3576 4.3576 4.4485 4.4485 4.5208 4.5208 4.6488 4.6488 5.1818 5.1818 5.3796 5.3796 5.3954 5.3954 5.4380 5.4380 5.5703 5.5703 5.7158 5.7158 6.9433 6.9433 7.4224 7.4224 7.6824 7.6824 7.6952 7.6952 8.2398 8.2398 9.5113 9.5113 10.0571 10.0571 10.4787 10.4787 10.6960 10.6960 10.9500 10.9500 k = 0.1463 0.0845-0.0000 ( 4921 PWs) bands (ev): -32.9349 -32.9349 -32.9318 -32.9318 -14.2183 -14.2183 -14.1979 -14.1979 -13.8618 -13.8618 -13.8234 -13.8234 -13.8177 -13.8177 -13.8109 -13.8109 -1.9938 -1.9938 -1.3741 -1.3741 4.0937 4.0937 4.3413 4.3413 4.4217 4.4217 4.5316 4.5316 4.6581 4.6581 5.1810 5.1810 5.3794 5.3794 5.3930 5.3930 5.4403 5.4403 5.5767 5.5767 5.7159 5.7159 6.8283 6.8283 7.3307 7.3307 7.6263 7.6263 7.6595 7.6595 8.1515 8.1515 9.4876 9.4876 10.0754 10.0754 10.4133 10.4133 10.8003 10.8003 11.0500 11.0503 k = 0.1585 0.0915-0.0000 ( 4922 PWs) bands (ev): -32.9348 -32.9348 -32.9317 -32.9317 -14.2185 -14.2185 -14.1984 -14.1984 -13.8619 -13.8619 -13.8239 -13.8239 -13.8182 -13.8182 -13.8115 -13.8115 -1.9646 -1.9646 -1.3571 -1.3571 4.1132 4.1132 4.3244 4.3244 4.3920 4.3920 4.5437 4.5437 4.6684 4.6684 5.1797 5.1797 5.3770 5.3770 5.3927 5.3927 5.4429 5.4429 5.5838 5.5838 5.7164 5.7164 6.7151 6.7151 7.2183 7.2183 7.5910 7.5910 7.6236 7.6236 8.0655 8.0655 9.4607 9.4607 10.0946 10.0946 10.3466 10.3466 10.8920 10.8920 11.0834 11.0836 k = 0.1707 0.0986-0.0000 ( 4924 PWs) bands (ev): -32.9348 -32.9348 -32.9316 -32.9316 -14.2187 -14.2187 -14.1988 -14.1988 -13.8620 -13.8620 -13.8244 -13.8244 -13.8187 -13.8187 -13.8122 -13.8122 -1.9335 -1.9335 -1.3390 -1.3390 4.1305 4.1305 4.3083 4.3083 4.3599 4.3599 4.5569 4.5569 4.6796 4.6796 5.1779 5.1779 5.3732 5.3732 5.3938 5.3938 5.4456 5.4456 5.5918 5.5918 5.7175 5.7175 6.6045 6.6045 7.0984 7.0984 7.5603 7.5603 7.5905 7.5905 7.9826 7.9826 9.4309 9.4309 10.1149 10.1149 10.2792 10.2792 10.9676 10.9676 11.1126 11.1126 k = 0.1829 0.1056-0.0000 ( 4928 PWs) bands (ev): -32.9347 -32.9347 -32.9316 -32.9316 -14.2189 -14.2189 -14.1993 -14.1993 -13.8621 -13.8621 -13.8251 -13.8251 -13.8190 -13.8190 -13.8129 -13.8129 -1.9005 -1.9005 -1.3198 -1.3198 4.1422 4.1422 4.2952 4.2952 4.3261 4.3261 4.5711 4.5711 4.6916 4.6916 5.1753 5.1753 5.3689 5.3689 5.3954 5.3954 5.4485 5.4485 5.6005 5.6005 5.7196 5.7196 6.4972 6.4972 6.9771 6.9771 7.5244 7.5244 7.5626 7.5626 7.9042 7.9042 9.3982 9.3982 10.1365 10.1365 10.2117 10.2117 11.0266 11.0266 11.1435 11.1435 k = 0.1951 0.1127-0.0000 ( 4928 PWs) bands (ev): -32.9346 -32.9346 -32.9315 -32.9315 -14.2191 -14.2191 -14.1998 -14.1998 -13.8621 -13.8621 -13.8258 -13.8258 -13.8194 -13.8194 -13.8136 -13.8136 -1.8657 -1.8657 -1.2998 -1.2998 4.1431 4.1431 4.2818 4.2818 4.2992 4.2992 4.5862 4.5862 4.7044 4.7044 5.1720 5.1720 5.3646 5.3646 5.3970 5.3970 5.4516 5.4516 5.6095 5.6095 5.7229 5.7229 6.3941 6.3941 6.8575 6.8575 7.4835 7.4835 7.5355 7.5355 7.8322 7.8322 9.3633 9.3633 10.1434 10.1434 10.1604 10.1604 11.0713 11.0713 11.1761 11.1761 k = 0.2073 0.1197-0.0000 ( 4928 PWs) bands (ev): -32.9346 -32.9346 -32.9315 -32.9315 -14.2194 -14.2194 -14.2003 -14.2003 -13.8622 -13.8622 -13.8267 -13.8267 -13.8196 -13.8196 -13.8144 -13.8144 -1.8291 -1.8291 -1.2789 -1.2789 4.1289 4.1289 4.2494 4.2494 4.3018 4.3018 4.6021 4.6021 4.7179 4.7179 5.1679 5.1679 5.3606 5.3606 5.3986 5.3986 5.4548 5.4548 5.6185 5.6185 5.7283 5.7283 6.2957 6.2957 6.7408 6.7408 7.4401 7.4401 7.5032 7.5032 7.7693 7.7693 9.3264 9.3264 10.0773 10.0773 10.1841 10.1841 11.1059 11.1059 11.2103 11.2103 k = 0.2195 0.1267-0.0000 ( 4920 PWs) bands (ev): -32.9345 -32.9345 -32.9314 -32.9314 -14.2196 -14.2196 -14.2008 -14.2008 -13.8623 -13.8623 -13.8275 -13.8275 -13.8199 -13.8199 -13.8151 -13.8151 -1.7910 -1.7910 -1.2574 -1.2574 4.1001 4.1001 4.2136 4.2136 4.3178 4.3178 4.6189 4.6189 4.7322 4.7322 5.1628 5.1628 5.3569 5.3569 5.3999 5.3999 5.4581 5.4581 5.6268 5.6268 5.7363 5.7363 6.2026 6.2026 6.6279 6.6279 7.3951 7.3951 7.4619 7.4619 7.7178 7.7178 9.2881 9.2881 10.0117 10.0117 10.2095 10.2095 11.1343 11.1343 11.2458 11.2458 k = 0.2317 0.1338-0.0000 ( 4924 PWs) bands (ev): -32.9344 -32.9344 -32.9313 -32.9313 -14.2198 -14.2198 -14.2014 -14.2014 -13.8624 -13.8624 -13.8285 -13.8285 -13.8201 -13.8201 -13.8158 -13.8158 -1.7514 -1.7514 -1.2351 -1.2351 4.0597 4.0597 4.1783 4.1783 4.3401 4.3401 4.6365 4.6365 4.7470 4.7470 5.1568 5.1568 5.3536 5.3536 5.4009 5.4009 5.4615 5.4615 5.6337 5.6337 5.7474 5.7474 6.1153 6.1153 6.5191 6.5191 7.3491 7.3491 7.4105 7.4105 7.6781 7.6781 9.2487 9.2487 9.9473 9.9473 10.2359 10.2359 11.1600 11.1600 11.2824 11.2824 k = 0.2439 0.1408-0.0000 ( 4932 PWs) bands (ev): -32.9344 -32.9344 -32.9313 -32.9313 -14.2201 -14.2201 -14.2020 -14.2020 -13.8626 -13.8626 -13.8295 -13.8295 -13.8203 -13.8203 -13.8166 -13.8166 -1.7105 -1.7105 -1.2124 -1.2124 4.0107 4.0107 4.1437 4.1437 4.3659 4.3659 4.6547 4.6547 4.7622 4.7622 5.1498 5.1498 5.3508 5.3508 5.4016 5.4016 5.4650 5.4650 5.6389 5.6389 5.7621 5.7621 6.0345 6.0345 6.4148 6.4148 7.3026 7.3026 7.3509 7.3509 7.6480 7.6480 9.2089 9.2089 9.8844 9.8844 10.2632 10.2632 11.1852 11.1852 11.3200 11.3200 k = 0.2561 0.1479-0.0000 ( 4944 PWs) bands (ev): -32.9343 -32.9343 -32.9312 -32.9312 -14.2204 -14.2204 -14.2025 -14.2025 -13.8628 -13.8628 -13.8305 -13.8305 -13.8204 -13.8204 -13.8173 -13.8173 -1.6684 -1.6684 -1.1893 -1.1893 3.9550 3.9550 4.1094 4.1094 4.3935 4.3935 4.6735 4.6735 4.7781 4.7781 5.1419 5.1419 5.3485 5.3485 5.4021 5.4021 5.4684 5.4684 5.6423 5.6423 5.7796 5.7796 5.9612 5.9612 6.3152 6.3152 7.2558 7.2558 7.2861 7.2861 7.6241 7.6241 9.1689 9.1689 9.8231 9.8231 10.2911 10.2911 11.2115 11.2115 11.3582 11.3582 k = 0.2683 0.1549-0.0000 ( 4946 PWs) bands (ev): -32.9342 -32.9342 -32.9311 -32.9311 -14.2206 -14.2206 -14.2031 -14.2031 -13.8629 -13.8629 -13.8314 -13.8314 -13.8206 -13.8206 -13.8181 -13.8181 -1.6253 -1.6253 -1.1660 -1.1660 3.8942 3.8942 4.0750 4.0750 4.4221 4.4221 4.6929 4.6929 4.7943 4.7943 5.1332 5.1332 5.3467 5.3467 5.4022 5.4022 5.4719 5.4719 5.6442 5.6442 5.7963 5.7963 5.8988 5.8988 6.2206 6.2206 7.2089 7.2089 7.2189 7.2189 7.6036 7.6036 9.1292 9.1292 9.7638 9.7638 10.3194 10.3194 11.2396 11.2396 11.3967 11.3967 k = 0.2805 0.1619-0.0000 ( 4938 PWs) bands (ev): -32.9341 -32.9341 -32.9311 -32.9311 -14.2209 -14.2209 -14.2036 -14.2036 -13.8630 -13.8630 -13.8324 -13.8324 -13.8207 -13.8207 -13.8188 -13.8188 -1.5814 -1.5814 -1.1426 -1.1426 3.8295 3.8295 4.0405 4.0405 4.4511 4.4511 4.7128 4.7128 4.8109 4.8109 5.1237 5.1237 5.3453 5.3453 5.4022 5.4022 5.4753 5.4753 5.6448 5.6448 5.7923 5.7923 5.8671 5.8671 6.1312 6.1312 7.1509 7.1509 7.1624 7.1624 7.5846 7.5846 9.0902 9.0902 9.7064 9.7064 10.3480 10.3480 11.2702 11.2702 11.4351 11.4351 k = 0.2927 0.1690-0.0000 ( 4936 PWs) bands (ev): -32.9341 -32.9341 -32.9310 -32.9310 -14.2211 -14.2211 -14.2041 -14.2041 -13.8631 -13.8631 -13.8334 -13.8334 -13.8208 -13.8208 -13.8194 -13.8194 -1.5369 -1.5369 -1.1193 -1.1193 3.7619 3.7619 4.0058 4.0058 4.4802 4.4802 4.7330 4.7330 4.8277 4.8277 5.1135 5.1135 5.3443 5.3443 5.4019 5.4019 5.4785 5.4785 5.6443 5.6443 5.7517 5.7517 5.8814 5.8814 6.0473 6.0473 7.0834 7.0834 7.1162 7.1162 7.5658 7.5658 9.0521 9.0521 9.6512 9.6512 10.3767 10.3767 11.3035 11.3035 11.4728 11.4728 k = 0.3049 0.1760-0.0000 ( 4938 PWs) bands (ev): -32.9340 -32.9340 -32.9309 -32.9309 -14.2213 -14.2213 -14.2047 -14.2047 -13.8632 -13.8632 -13.8344 -13.8344 -13.8210 -13.8210 -13.8201 -13.8201 -1.4919 -1.4919 -1.0962 -1.0962 3.6922 3.6922 3.9709 3.9709 4.5089 4.5089 4.7535 4.7535 4.8446 4.8446 5.1026 5.1026 5.3436 5.3436 5.4014 5.4014 5.4814 5.4814 5.6428 5.6428 5.7048 5.7048 5.9102 5.9102 5.9700 5.9700 7.0170 7.0170 7.0707 7.0707 7.5465 7.5465 9.0153 9.0153 9.5983 9.5983 10.4051 10.4051 11.3395 11.3395 11.5092 11.5092 k = 0.3171 0.1831-0.0000 ( 4932 PWs) bands (ev): -32.9339 -32.9339 -32.9309 -32.9309 -14.2216 -14.2216 -14.2052 -14.2052 -13.8633 -13.8633 -13.8354 -13.8354 -13.8212 -13.8212 -13.8206 -13.8206 -1.4468 -1.4468 -1.0736 -1.0736 3.6213 3.6213 3.9361 3.9361 4.5373 4.5373 4.7741 4.7741 4.8614 4.8614 5.0912 5.0912 5.3431 5.3431 5.4007 5.4007 5.4838 5.4838 5.6395 5.6395 5.6620 5.6620 5.8925 5.8925 5.9507 5.9507 6.9523 6.9523 7.0263 7.0263 7.5260 7.5260 8.9800 8.9800 9.5477 9.5477 10.4331 10.4331 11.3781 11.3781 11.5438 11.5438 k = 0.3293 0.1901-0.0000 ( 4930 PWs) bands (ev): -32.9339 -32.9339 -32.9308 -32.9308 -14.2218 -14.2218 -14.2057 -14.2057 -13.8635 -13.8635 -13.8363 -13.8363 -13.8216 -13.8216 -13.8208 -13.8208 -1.4017 -1.4017 -1.0516 -1.0516 3.5500 3.5500 3.9015 3.9015 4.5649 4.5649 4.7948 4.7948 4.8781 4.8781 5.0793 5.0793 5.3428 5.3428 5.3998 5.3998 5.4854 5.4854 5.6175 5.6175 5.6418 5.6418 5.8273 5.8273 5.9887 5.9887 6.8897 6.8897 6.9830 6.9830 7.5041 7.5041 8.9463 8.9463 9.4995 9.4995 10.4606 10.4606 11.4193 11.4193 11.5758 11.5758 k = 0.3415 0.1971-0.0000 ( 4926 PWs) bands (ev): -32.9338 -32.9338 -32.9307 -32.9307 -14.2220 -14.2220 -14.2061 -14.2061 -13.8636 -13.8636 -13.8371 -13.8371 -13.8221 -13.8221 -13.8210 -13.8210 -1.3570 -1.3570 -1.0304 -1.0304 3.4791 3.4791 3.8674 3.8674 4.5918 4.5918 4.8154 4.8154 4.8945 4.8945 5.0671 5.0671 5.3425 5.3425 5.3987 5.3987 5.4857 5.4857 5.5834 5.5834 5.6377 5.6377 5.7675 5.7675 6.0308 6.0308 6.8295 6.8295 6.9413 6.9413 7.4803 7.4803 8.9146 8.9146 9.4539 9.4539 10.4872 10.4872 11.4627 11.4627 11.6047 11.6047 k = 0.3537 0.2042-0.0000 ( 4936 PWs) bands (ev): -32.9338 -32.9338 -32.9307 -32.9307 -14.2223 -14.2223 -14.2066 -14.2066 -13.8637 -13.8637 -13.8380 -13.8380 -13.8227 -13.8227 -13.8210 -13.8210 -1.3128 -1.3128 -1.0103 -1.0103 3.4095 3.4095 3.8340 3.8340 4.6178 4.6178 4.8358 4.8358 4.9104 4.9104 5.0545 5.0545 5.3421 5.3421 5.3976 5.3976 5.4841 5.4841 5.5528 5.5528 5.6338 5.6338 5.7152 5.7152 6.0754 6.0754 6.7719 6.7719 6.9012 6.9012 7.4545 7.4545 8.8847 8.8847 9.4109 9.4109 10.5129 10.5129 11.5079 11.5079 11.6300 11.6300 k = 0.3659 0.2112-0.0000 ( 4938 PWs) bands (ev): -32.9337 -32.9337 -32.9306 -32.9306 -14.2225 -14.2225 -14.2071 -14.2071 -13.8639 -13.8639 -13.8388 -13.8388 -13.8232 -13.8232 -13.8211 -13.8211 -1.2696 -1.2696 -0.9916 -0.9916 3.3419 3.3419 3.8017 3.8017 4.6429 4.6429 4.8558 4.8558 4.9257 4.9257 5.0418 5.0418 5.3416 5.3416 5.3962 5.3962 5.4792 5.4792 5.5265 5.5265 5.6283 5.6283 5.6728 5.6728 6.1221 6.1221 6.7173 6.7173 6.8632 6.8632 7.4267 7.4267 8.8571 8.8571 9.3708 9.3708 10.5373 10.5373 11.5545 11.5545 11.6516 11.6516 k = 0.3780 0.2183-0.0000 ( 4948 PWs) bands (ev): -32.9336 -32.9336 -32.9306 -32.9306 -14.2227 -14.2227 -14.2075 -14.2075 -13.8640 -13.8640 -13.8396 -13.8396 -13.8237 -13.8237 -13.8212 -13.8212 -1.2276 -1.2276 -0.9743 -0.9743 3.2772 3.2772 3.7708 3.7708 4.6668 4.6668 4.8751 4.8751 4.9401 4.9401 5.0289 5.0289 5.3410 5.3410 5.3948 5.3948 5.4700 5.4700 5.5042 5.5042 5.6168 5.6168 5.6457 5.6457 6.1702 6.1702 6.6660 6.6660 6.8276 6.8276 7.3968 7.3968 8.8316 8.8316 9.3335 9.3335 10.5604 10.5604 11.6019 11.6019 11.6695 11.6695 k = 0.3902 0.2253-0.0000 ( 4946 PWs) bands (ev): -32.9336 -32.9336 -32.9305 -32.9305 -14.2229 -14.2229 -14.2079 -14.2079 -13.8642 -13.8642 -13.8403 -13.8403 -13.8241 -13.8241 -13.8212 -13.8212 -1.1871 -1.1871 -0.9589 -0.9589 3.2159 3.2159 3.7416 3.7416 4.6897 4.6897 4.8938 4.8938 4.9535 4.9535 5.0160 5.0160 5.3401 5.3401 5.3933 5.3933 5.4558 5.4558 5.4854 5.4854 5.5996 5.5996 5.6348 5.6348 6.2194 6.2194 6.6182 6.6182 6.7946 6.7946 7.3650 7.3650 8.8083 8.8083 9.2992 9.2992 10.5820 10.5820 11.6494 11.6494 11.6842 11.6842 k = 0.4024 0.2323-0.0000 ( 4950 PWs) bands (ev): -32.9336 -32.9336 -32.9305 -32.9305 -14.2231 -14.2231 -14.2082 -14.2082 -13.8643 -13.8643 -13.8409 -13.8409 -13.8245 -13.8245 -13.8212 -13.8212 -1.1485 -1.1485 -0.9455 -0.9455 3.1589 3.1589 3.7144 3.7144 4.7114 4.7114 4.9111 4.9111 4.9656 4.9656 5.0034 5.0034 5.3389 5.3389 5.3915 5.3915 5.4380 5.4380 5.4693 5.4693 5.5862 5.5862 5.6295 5.6295 6.2688 6.2688 6.5742 6.5742 6.7645 6.7645 7.3314 7.3314 8.7874 8.7874 9.2681 9.2681 10.6019 10.6019 11.6929 11.6929 11.6992 11.6992 k = 0.4146 0.2394-0.0000 ( 4948 PWs) bands (ev): -32.9335 -32.9335 -32.9305 -32.9305 -14.2233 -14.2233 -14.2085 -14.2085 -13.8644 -13.8644 -13.8414 -13.8414 -13.8249 -13.8249 -13.8212 -13.8212 -1.1121 -1.1121 -0.9343 -0.9343 3.1068 3.1068 3.6896 3.6896 4.7320 4.7320 4.9271 4.9271 4.9756 4.9756 4.9917 4.9917 5.3376 5.3376 5.3891 5.3891 5.4191 5.4191 5.4560 5.4560 5.5786 5.5786 5.6257 5.6257 6.3177 6.3177 6.5343 6.5343 6.7380 6.7380 7.2965 7.2965 8.7689 8.7689 9.2403 9.2403 10.6199 10.6199 11.7043 11.7043 11.7423 11.7423 k = 0.4268 0.2464-0.0000 ( 4946 PWs) bands (ev): -32.9335 -32.9335 -32.9304 -32.9304 -14.2234 -14.2234 -14.2088 -14.2088 -13.8645 -13.8645 -13.8419 -13.8419 -13.8252 -13.8252 -13.8213 -13.8213 -1.0781 -1.0781 -0.9257 -0.9257 3.0602 3.0602 3.6673 3.6673 4.7514 4.7514 4.9410 4.9410 4.9761 4.9761 4.9889 4.9889 5.3360 5.3360 5.3840 5.3840 5.4033 5.4033 5.4453 5.4453 5.5749 5.5749 5.6224 5.6224 6.3649 6.3649 6.4990 6.4990 6.7153 6.7153 7.2609 7.2609 8.7528 8.7528 9.2159 9.2159 10.6359 10.6359 11.7114 11.7115 11.7849 11.7849 k = 0.4390 0.2535-0.0000 ( 4950 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2235 -14.2235 -14.2090 -14.2090 -13.8646 -13.8646 -13.8424 -13.8424 -13.8254 -13.8254 -13.8213 -13.8213 -1.0469 -1.0469 -0.9199 -0.9199 3.0197 3.0197 3.6480 3.6480 4.7694 4.7694 4.9497 4.9497 4.9691 4.9691 4.9955 4.9955 5.3343 5.3343 5.3729 5.3729 5.3957 5.3957 5.4371 5.4371 5.5735 5.5735 5.6194 5.6194 6.4085 6.4085 6.4689 6.4689 6.6971 6.6971 7.2254 7.2254 8.7391 8.7391 9.1950 9.1950 10.6497 10.6497 11.7168 11.7168 11.8239 11.8239 k = 0.4512 0.2605-0.0000 ( 4958 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2236 -14.2236 -14.2092 -14.2092 -13.8647 -13.8647 -13.8427 -13.8427 -13.8257 -13.8257 -13.8213 -13.8213 -1.0187 -1.0187 -0.9170 -0.9170 2.9859 2.9859 3.6318 3.6318 4.7859 4.7859 4.9461 4.9461 4.9721 4.9721 5.0015 5.0015 5.3326 5.3326 5.3599 5.3599 5.3932 5.3932 5.4309 5.4309 5.5734 5.5734 5.6167 5.6167 6.4366 6.4366 6.4542 6.4542 6.6841 6.6841 7.1914 7.1914 8.7279 8.7279 9.1777 9.1777 10.6611 10.6611 11.7208 11.7208 11.8579 11.8579 k = 0.4634 0.2676-0.0000 ( 4958 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2237 -14.2237 -14.2094 -14.2094 -13.8647 -13.8647 -13.8430 -13.8430 -13.8258 -13.8258 -13.8214 -13.8214 -0.9938 -0.9938 -0.9173 -0.9173 2.9591 2.9591 3.6190 3.6190 4.8004 4.8004 4.9368 4.9368 4.9794 4.9794 5.0062 5.0062 5.3309 5.3309 5.3489 5.3489 5.3920 5.3920 5.4264 5.4264 5.5740 5.5740 5.6145 5.6145 6.4206 6.4206 6.4819 6.4819 6.6767 6.6767 7.1606 7.1606 8.7191 8.7191 9.1642 9.1642 10.6702 10.6702 11.7236 11.7236 11.8859 11.8859 k = 0.4756 0.2746-0.0000 ( 4950 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2237 -14.2237 -14.2095 -14.2095 -13.8647 -13.8647 -13.8432 -13.8432 -13.8259 -13.8259 -13.8214 -13.8214 -0.9723 -0.9723 -0.9209 -0.9209 2.9397 2.9397 3.6098 3.6098 4.8124 4.8124 4.9278 4.9278 4.9855 4.9855 5.0095 5.0095 5.3293 5.3293 5.3414 5.3414 5.3916 5.3916 5.4233 5.4233 5.5747 5.5747 5.6127 5.6127 6.4063 6.4063 6.5042 6.5042 6.6747 6.6747 7.1355 7.1355 8.7129 8.7129 9.1545 9.1545 10.6768 10.6768 11.7256 11.7256 11.9067 11.9067 k = 0.4878 0.2816-0.0000 ( 4954 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2238 -14.2238 -14.2096 -14.2096 -13.8648 -13.8648 -13.8433 -13.8433 -13.8260 -13.8260 -13.8214 -13.8214 -0.9547 -0.9547 -0.9278 -0.9278 2.9279 2.9279 3.6041 3.6041 4.8206 4.8206 4.9213 4.9213 4.9894 4.9894 5.0114 5.0114 5.3277 5.3277 5.3373 5.3373 5.3913 5.3913 5.4215 5.4215 5.5753 5.5753 5.6116 5.6116 6.3975 6.3975 6.5172 6.5172 6.6756 6.6756 7.1188 7.1188 8.7091 8.7091 9.1486 9.1486 10.6807 10.6807 11.7267 11.7267 11.9196 11.9196 k = 0.5000 0.2887-0.0000 ( 4946 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2238 -14.2238 -14.2095 -14.2095 -13.8648 -13.8648 -13.8433 -13.8433 -13.8260 -13.8260 -13.8214 -13.8214 -0.9440 -0.9440 -0.9348 -0.9348 2.9240 2.9240 3.6023 3.6023 4.8236 4.8236 4.9189 4.9189 4.9907 4.9907 5.0121 5.0121 5.3270 5.3270 5.3362 5.3362 5.3913 5.3913 5.4210 5.4210 5.5755 5.5755 5.6112 5.6112 6.3946 6.3946 6.5213 6.5213 6.6765 6.6765 7.1129 7.1129 8.7079 8.7079 9.1467 9.1467 10.6821 10.6821 11.7271 11.7271 11.9239 11.9239 k = 0.5000 0.2887-0.0000 ( 4946 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2238 -14.2238 -14.2095 -14.2095 -13.8648 -13.8648 -13.8433 -13.8433 -13.8260 -13.8260 -13.8214 -13.8214 -0.9440 -0.9440 -0.9348 -0.9348 2.9240 2.9240 3.6023 3.6023 4.8236 4.8236 4.9189 4.9189 4.9907 4.9907 5.0121 5.0121 5.3270 5.3270 5.3362 5.3362 5.3913 5.3913 5.4210 5.4210 5.5755 5.5755 5.6112 5.6112 6.3946 6.3946 6.5213 6.5213 6.6765 6.6765 7.1129 7.1129 8.7079 8.7079 9.1467 9.1467 10.6821 10.6821 11.7271 11.7271 11.9239 11.9239 k = 0.4931 0.3007-0.0000 ( 4956 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2238 -14.2238 -14.2096 -14.2096 -13.8648 -13.8648 -13.8433 -13.8433 -13.8261 -13.8261 -13.8214 -13.8214 -0.9436 -0.9436 -0.9343 -0.9343 2.9254 2.9254 3.6023 3.6023 4.8239 4.8239 4.9187 4.9187 4.9901 4.9901 5.0124 5.0124 5.3244 5.3244 5.3375 5.3375 5.3909 5.3909 5.4211 5.4211 5.5754 5.5754 5.6112 5.6112 6.3907 6.3907 6.5189 6.5189 6.6687 6.6687 7.1129 7.1129 8.7209 8.7209 9.1485 9.1485 10.6874 10.6874 11.7092 11.7092 11.9244 11.9244 k = 0.4861 0.3127-0.0000 ( 4956 PWs) bands (ev): -32.9334 -32.9334 -32.9303 -32.9303 -14.2238 -14.2238 -14.2096 -14.2096 -13.8647 -13.8647 -13.8433 -13.8433 -13.8261 -13.8261 -13.8215 -13.8215 -0.9423 -0.9423 -0.9327 -0.9327 2.9298 2.9298 3.6022 3.6022 4.8250 4.8250 4.9182 4.9182 4.9885 4.9885 5.0134 5.0134 5.3187 5.3187 5.3396 5.3396 5.3900 5.3900 5.4217 5.4217 5.5750 5.5750 5.6113 5.6113 6.3792 6.3792 6.5097 6.5097 6.6484 6.6484 7.1131 7.1131 8.7592 8.7592 9.1540 9.1540 10.7035 10.7035 11.6615 11.6615 11.9258 11.9258 k = 0.4792 0.3248-0.0000 ( 4958 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2238 -14.2238 -14.2096 -14.2096 -13.8647 -13.8647 -13.8433 -13.8433 -13.8262 -13.8262 -13.8216 -13.8216 -0.9402 -0.9402 -0.9301 -0.9301 2.9371 2.9371 3.6021 3.6021 4.8268 4.8268 4.9174 4.9174 4.9857 4.9857 5.0150 5.0150 5.3113 5.3113 5.3410 5.3410 5.3886 5.3886 5.4227 5.4227 5.5743 5.5743 5.6113 5.6113 6.3604 6.3604 6.4872 6.4872 6.6247 6.6247 7.1133 7.1133 8.8200 8.8200 9.1631 9.1631 10.7296 10.7296 11.5945 11.5945 11.9277 11.9277 k = 0.4722 0.3368-0.0000 ( 4958 PWs) bands (ev): -32.9334 -32.9334 -32.9303 -32.9303 -14.2238 -14.2238 -14.2096 -14.2096 -13.8647 -13.8647 -13.8432 -13.8432 -13.8264 -13.8264 -13.8217 -13.8217 -0.9372 -0.9372 -0.9265 -0.9265 2.9472 2.9472 3.6020 3.6020 4.8293 4.8293 4.9162 4.9162 4.9815 4.9815 5.0173 5.0173 5.3025 5.3025 5.3410 5.3410 5.3869 5.3869 5.4238 5.4238 5.5734 5.5734 5.6113 5.6113 6.3348 6.3348 6.4442 6.4442 6.6085 6.6085 7.1137 7.1137 8.8997 8.8997 9.1759 9.1759 10.7650 10.7650 11.5170 11.5170 11.9294 11.9294 k = 0.4653 0.3488-0.0000 ( 4965 PWs) bands (ev): -32.9334 -32.9334 -32.9303 -32.9303 -14.2239 -14.2239 -14.2097 -14.2097 -13.8646 -13.8646 -13.8432 -13.8432 -13.8266 -13.8266 -13.8219 -13.8219 -0.9334 -0.9334 -0.9220 -0.9220 2.9602 2.9602 3.6017 3.6017 4.8324 4.8324 4.9146 4.9146 4.9758 4.9758 5.0202 5.0202 5.2924 5.2924 5.3398 5.3398 5.3850 5.3850 5.4252 5.4252 5.5723 5.5723 5.6113 5.6113 6.3032 6.3032 6.3821 6.3821 6.6026 6.6026 7.1141 7.1141 8.9944 8.9944 9.1925 9.1925 10.8084 10.8084 11.4339 11.4339 11.9298 11.9298 k = 0.4583 0.3608-0.0000 ( 4965 PWs) bands (ev): -32.9334 -32.9334 -32.9303 -32.9303 -14.2239 -14.2239 -14.2097 -14.2097 -13.8645 -13.8645 -13.8431 -13.8431 -13.8268 -13.8268 -13.8222 -13.8222 -0.9289 -0.9289 -0.9165 -0.9165 2.9760 2.9760 3.6013 3.6013 4.8360 4.8360 4.9122 4.9122 4.9683 4.9683 5.0239 5.0239 5.2809 5.2809 5.3374 5.3374 5.3829 5.3829 5.4267 5.4267 5.5710 5.5710 5.6112 5.6112 6.2663 6.2663 6.3081 6.3081 6.6036 6.6036 7.1145 7.1145 9.0999 9.0999 9.2135 9.2135 10.8584 10.8584 11.3481 11.3481 11.9278 11.9283 k = 0.4514 0.3729-0.0000 ( 4967 PWs) bands (ev): -32.9334 -32.9334 -32.9303 -32.9303 -14.2239 -14.2239 -14.2098 -14.2098 -13.8644 -13.8644 -13.8430 -13.8430 -13.8270 -13.8270 -13.8225 -13.8225 -0.9237 -0.9237 -0.9103 -0.9103 2.9945 2.9945 3.6006 3.6006 4.8401 4.8401 4.9085 4.9085 4.9591 4.9591 5.0282 5.0282 5.2683 5.2683 5.3338 5.3338 5.3806 5.3806 5.4283 5.4283 5.5696 5.5696 5.6111 5.6111 6.2242 6.2242 6.2292 6.2292 6.6089 6.6089 7.1149 7.1149 9.2057 9.2057 9.2461 9.2461 10.9131 10.9131 11.2615 11.2615 11.9223 11.9224 k = 0.4444 0.3849-0.0000 ( 4969 PWs) bands (ev): -32.9333 -32.9333 -32.9303 -32.9303 -14.2239 -14.2239 -14.2099 -14.2099 -13.8643 -13.8643 -13.8430 -13.8430 -13.8273 -13.8273 -13.8228 -13.8228 -0.9178 -0.9178 -0.9032 -0.9032 3.0156 3.0156 3.5997 3.5997 4.8443 4.8443 4.9021 4.9021 4.9486 4.9486 5.0331 5.0331 5.2547 5.2547 5.3294 5.3294 5.3781 5.3781 5.4300 5.4300 5.5680 5.5680 5.6109 5.6109 6.1472 6.1472 6.1805 6.1805 6.6169 6.6169 7.1151 7.1151 9.2552 9.2552 9.3442 9.3442 10.9703 10.9703 11.1753 11.1753 11.9126 11.9132 k = 0.4375 0.3969-0.0000 ( 4965 PWs) bands (ev): -32.9333 -32.9333 -32.9303 -32.9303 -14.2240 -14.2240 -14.2100 -14.2100 -13.8642 -13.8642 -13.8429 -13.8429 -13.8275 -13.8275 -13.8231 -13.8231 -0.9112 -0.9112 -0.8955 -0.8955 3.0394 3.0394 3.5985 3.5985 4.8484 4.8484 4.8903 4.8903 4.9390 4.9390 5.0387 5.0387 5.2408 5.2408 5.3244 5.3244 5.3753 5.3753 5.4317 5.4317 5.5664 5.5664 5.6106 5.6106 6.0683 6.0683 6.1332 6.1332 6.6272 6.6272 7.1151 7.1151 9.2869 9.2869 9.4674 9.4674 11.0245 11.0245 11.0933 11.0933 11.8989 11.9042 k = 0.4306 0.4090-0.0000 ( 4967 PWs) bands (ev): -32.9333 -32.9333 -32.9303 -32.9303 -14.2240 -14.2240 -14.2100 -14.2100 -13.8640 -13.8640 -13.8428 -13.8428 -13.8278 -13.8278 -13.8234 -13.8234 -0.9042 -0.9042 -0.8873 -0.8873 3.0655 3.0655 3.5970 3.5970 4.8499 4.8499 4.8718 4.8718 4.9324 4.9324 5.0448 5.0448 5.2271 5.2271 5.3189 5.3189 5.3721 5.3721 5.4333 5.4333 5.5646 5.5646 5.6100 5.6100 5.9937 5.9937 6.0845 6.0845 6.6393 6.6393 7.1148 7.1148 9.3202 9.3202 9.5941 9.5941 10.9972 10.9972 11.0919 11.0919 11.8790 11.8804 k = 0.4236 0.4210-0.0000 ( 4955 PWs) bands (ev): -32.9333 -32.9333 -32.9303 -32.9303 -14.2240 -14.2240 -14.2101 -14.2101 -13.8639 -13.8639 -13.8427 -13.8427 -13.8281 -13.8281 -13.8238 -13.8238 -0.8967 -0.8967 -0.8786 -0.8786 3.0939 3.0939 3.5951 3.5951 4.8316 4.8316 4.8632 4.8632 4.9290 4.9290 5.0516 5.0516 5.2146 5.2146 5.3131 5.3131 5.3685 5.3685 5.4347 5.4347 5.5629 5.5629 5.6091 5.6091 5.9254 5.9254 6.0351 6.0351 6.6531 6.6531 7.1139 7.1139 9.3560 9.3560 9.7218 9.7218 10.9157 10.9157 11.1413 11.1413 11.8286 11.8286 k = 0.4167 0.4330-0.0000 ( 4955 PWs) bands (ev): -32.9333 -32.9333 -32.9302 -32.9302 -14.2240 -14.2240 -14.2102 -14.2102 -13.8637 -13.8637 -13.8426 -13.8426 -13.8284 -13.8284 -13.8241 -13.8241 -0.8887 -0.8887 -0.8696 -0.8696 3.1244 3.1244 3.5927 3.5927 4.7925 4.7925 4.8657 4.8657 4.9277 4.9277 5.0588 5.0588 5.2039 5.2039 5.3072 5.3072 5.3645 5.3645 5.4359 5.4359 5.5611 5.5611 5.6078 5.6078 5.8644 5.8644 5.9860 5.9860 6.6684 6.6684 7.1123 7.1123 9.3946 9.3946 9.8492 9.8492 10.8339 10.8339 11.1853 11.1853 11.7551 11.7551 k = 0.4097 0.4450-0.0000 ( 4959 PWs) bands (ev): -32.9333 -32.9333 -32.9302 -32.9302 -14.2241 -14.2241 -14.2103 -14.2103 -13.8636 -13.8636 -13.8426 -13.8426 -13.8288 -13.8288 -13.8245 -13.8245 -0.8805 -0.8805 -0.8604 -0.8604 3.1567 3.1567 3.5900 3.5900 4.7436 4.7436 4.8692 4.8692 4.9278 4.9278 5.0663 5.0663 5.1957 5.1957 5.3013 5.3013 5.3602 5.3602 5.4366 5.4366 5.5594 5.5594 5.6058 5.6058 5.8110 5.8110 5.9381 5.9381 6.6853 6.6853 7.1098 7.1098 9.4358 9.4358 9.9752 9.9752 10.7535 10.7535 11.2203 11.2203 11.6815 11.6815 k = 0.4028 0.4571-0.0000 ( 4959 PWs) bands (ev): -32.9333 -32.9333 -32.9302 -32.9302 -14.2241 -14.2241 -14.2104 -14.2104 -13.8635 -13.8635 -13.8425 -13.8425 -13.8291 -13.8291 -13.8248 -13.8248 -0.8721 -0.8721 -0.8513 -0.8513 3.1904 3.1904 3.5871 3.5871 4.6875 4.6875 4.8724 4.8724 4.9288 4.9288 5.0740 5.0740 5.1904 5.1904 5.2956 5.2956 5.3556 5.3556 5.4369 5.4369 5.5576 5.5576 5.6030 5.6030 5.7655 5.7655 5.8923 5.8923 6.7034 6.7034 7.1062 7.1062 9.4795 9.4795 10.0989 10.0989 10.6750 10.6750 11.2447 11.2447 11.6092 11.6092 k = 0.3958 0.4691-0.0000 ( 4955 PWs) bands (ev): -32.9333 -32.9333 -32.9302 -32.9302 -14.2241 -14.2241 -14.2105 -14.2105 -13.8633 -13.8633 -13.8424 -13.8424 -13.8293 -13.8293 -13.8252 -13.8252 -0.8637 -0.8637 -0.8423 -0.8423 3.2250 3.2250 3.5840 3.5840 4.6262 4.6262 4.8752 4.8752 4.9307 4.9307 5.0817 5.0817 5.1880 5.1880 5.2903 5.2903 5.3509 5.3509 5.4365 5.4365 5.5559 5.5559 5.5988 5.5988 5.7275 5.7275 5.8496 5.8496 6.7230 6.7230 7.1012 7.1012 9.5254 9.5254 10.2194 10.2194 10.5990 10.5990 11.2585 11.2585 11.5394 11.5394 k = 0.3889 0.4811-0.0000 ( 4963 PWs) bands (ev): -32.9332 -32.9332 -32.9302 -32.9302 -14.2242 -14.2242 -14.2106 -14.2106 -13.8632 -13.8632 -13.8424 -13.8424 -13.8297 -13.8297 -13.8255 -13.8255 -0.8552 -0.8552 -0.8337 -0.8337 3.2600 3.2600 3.5811 3.5811 4.5618 4.5618 4.8775 4.8775 4.9331 4.9331 5.0889 5.0889 5.1884 5.1884 5.2855 5.2855 5.3462 5.3462 5.4351 5.4351 5.5541 5.5541 5.5924 5.5924 5.6968 5.6968 5.8105 5.8105 6.7438 6.7438 7.0946 7.0946 9.5734 9.5734 10.3345 10.3345 10.5274 10.5274 11.2627 11.2627 11.4733 11.4733 k = 0.3819 0.4932-0.0000 ( 4957 PWs) bands (ev): -32.9332 -32.9332 -32.9302 -32.9302 -14.2242 -14.2242 -14.2106 -14.2106 -13.8631 -13.8631 -13.8423 -13.8423 -13.8300 -13.8300 -13.8257 -13.8257 -0.8469 -0.8469 -0.8256 -0.8256 3.2944 3.2944 3.5787 3.5787 4.4963 4.4963 4.8794 4.8794 4.9357 4.9357 5.0954 5.0954 5.1916 5.1916 5.2817 5.2817 5.3415 5.3415 5.4325 5.4325 5.5523 5.5523 5.5831 5.5831 5.6737 5.6737 5.7760 5.7760 6.7659 6.7659 7.0862 7.0862 9.6232 9.6232 10.4156 10.4156 10.4886 10.4886 11.2590 11.2590 11.4119 11.4119 k = 0.3750 0.5052-0.0000 ( 4955 PWs) bands (ev): -32.9332 -32.9332 -32.9302 -32.9302 -14.2242 -14.2242 -14.2107 -14.2107 -13.8630 -13.8630 -13.8423 -13.8423 -13.8302 -13.8302 -13.8260 -13.8260 -0.8389 -0.8389 -0.8183 -0.8183 3.3271 3.3271 3.5775 3.5775 4.4322 4.4322 4.8809 4.8809 4.9384 4.9384 5.1011 5.1011 5.1971 5.1971 5.2791 5.2791 5.3372 5.3372 5.4282 5.4282 5.5505 5.5505 5.5707 5.5707 5.6575 5.6575 5.7466 5.7466 6.7891 6.7891 7.0756 7.0756 9.6746 9.6746 10.3698 10.3698 10.5751 10.5751 11.2492 11.2492 11.3563 11.3563 k = 0.3681 0.5172-0.0000 ( 4959 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2243 -14.2243 -14.2108 -14.2108 -13.8629 -13.8629 -13.8423 -13.8423 -13.8304 -13.8304 -13.8262 -13.8262 -0.8312 -0.8312 -0.8120 -0.8120 3.3565 3.3565 3.5782 3.5782 4.3715 4.3715 4.8822 4.8822 4.9408 4.9408 5.1058 5.1058 5.2039 5.2039 5.2784 5.2784 5.3334 5.3334 5.4218 5.4218 5.5485 5.5485 5.5567 5.5567 5.6470 5.6470 5.7225 5.7225 6.8135 6.8135 7.0626 7.0626 9.7273 9.7273 10.3042 10.3042 10.6799 10.6799 11.2349 11.2349 11.3073 11.3073 k = 0.3611 0.5292-0.0000 ( 4959 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2243 -14.2243 -14.2109 -14.2109 -13.8628 -13.8628 -13.8422 -13.8422 -13.8306 -13.8306 -13.8264 -13.8264 -0.8241 -0.8241 -0.8069 -0.8069 3.3810 3.3810 3.5814 3.5814 4.3167 4.3167 4.8834 4.8834 4.9429 4.9429 5.1096 5.1096 5.2108 5.2108 5.2802 5.2802 5.3305 5.3305 5.4128 5.4128 5.5417 5.5417 5.5479 5.5479 5.6404 5.6404 5.7037 5.7037 6.8388 6.8388 7.0472 7.0472 9.7809 9.7809 10.2389 10.2389 10.7827 10.7827 11.2176 11.2176 11.2658 11.2658 k = 0.3542 0.5413-0.0000 ( 4963 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2243 -14.2243 -14.2110 -14.2110 -13.8628 -13.8628 -13.8423 -13.8423 -13.8308 -13.8308 -13.8266 -13.8266 -0.8176 -0.8176 -0.8033 -0.8033 3.3991 3.3991 3.5872 3.5872 4.2701 4.2701 4.8844 4.8844 4.9445 4.9445 5.1124 5.1124 5.2166 5.2166 5.2849 5.2849 5.3290 5.3290 5.4010 5.4010 5.5303 5.5303 5.5461 5.5461 5.6362 5.6362 5.6897 5.6897 6.8649 6.8649 7.0291 7.0291 9.8352 9.8352 10.1756 10.1756 10.8813 10.8813 11.1985 11.1985 11.2327 11.2327 k = 0.3472 0.5533-0.0000 ( 4955 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2243 -14.2243 -14.2110 -14.2110 -13.8627 -13.8627 -13.8422 -13.8422 -13.8309 -13.8309 -13.8267 -13.8267 -0.8119 -0.8119 -0.8013 -0.8013 3.4106 3.4106 3.5942 3.5942 4.2345 4.2345 4.8853 4.8853 4.9455 4.9455 5.1144 5.1144 5.2204 5.2204 5.2912 5.2912 5.3303 5.3303 5.3873 5.3873 5.5218 5.5218 5.5449 5.5449 5.6336 5.6336 5.6802 5.6802 6.8916 6.8916 7.0084 7.0084 9.8899 9.8899 10.1145 10.1145 10.9741 10.9741 11.1796 11.1796 11.2085 11.2085 k = 0.3403 0.5653-0.0000 ( 4971 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2244 -14.2244 -14.2110 -14.2110 -13.8627 -13.8627 -13.8423 -13.8423 -13.8310 -13.8310 -13.8268 -13.8268 -0.8072 -0.8072 -0.8012 -0.8012 3.4163 3.4163 3.6001 3.6001 4.2120 4.2120 4.8859 4.8859 4.9461 4.9461 5.1155 5.1155 5.2223 5.2223 5.2964 5.2964 5.3351 5.3351 5.3736 5.3736 5.5167 5.5167 5.5440 5.5440 5.6322 5.6322 5.6746 5.6746 6.9174 6.9174 6.9863 6.9863 9.9448 9.9448 10.0559 10.0559 11.0542 11.0542 11.1667 11.1667 11.1938 11.1938 k = 0.3333 0.5774-0.0000 ( 4971 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2244 -14.2244 -14.2110 -14.2110 -13.8627 -13.8627 -13.8423 -13.8423 -13.8310 -13.8310 -13.8268 -13.8268 -0.8043 -0.8043 -0.8025 -0.8025 3.4179 3.4179 3.6025 3.6025 4.2044 4.2044 4.8861 4.8861 4.9462 4.9462 5.1159 5.1159 5.2229 5.2229 5.2983 5.2983 5.3395 5.3395 5.3663 5.3663 5.5151 5.5151 5.5437 5.5437 5.6317 5.6317 5.6728 5.6728 6.9333 6.9333 6.9717 6.9717 9.9959 9.9959 10.0034 10.0034 11.0889 11.0889 11.1770 11.1770 11.1907 11.1907 k = 0.3333 0.5774-0.0000 ( 4971 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2244 -14.2244 -14.2110 -14.2110 -13.8627 -13.8627 -13.8423 -13.8423 -13.8310 -13.8310 -13.8268 -13.8268 -0.8043 -0.8043 -0.8025 -0.8025 3.4179 3.4179 3.6025 3.6025 4.2044 4.2044 4.8861 4.8861 4.9462 4.9462 5.1159 5.1159 5.2229 5.2229 5.2983 5.2983 5.3395 5.3395 5.3663 5.3663 5.5151 5.5151 5.5437 5.5437 5.6317 5.6317 5.6728 5.6728 6.9333 6.9333 6.9717 6.9717 9.9959 9.9959 10.0034 10.0034 11.0889 11.0889 11.1770 11.1770 11.1907 11.1907 k = 0.3264 0.5653-0.0000 ( 4971 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2244 -14.2244 -14.2110 -14.2110 -13.8627 -13.8627 -13.8423 -13.8423 -13.8310 -13.8310 -13.8268 -13.8268 -0.8078 -0.8078 -0.8007 -0.8007 3.4168 3.4168 3.6000 3.6000 4.2118 4.2118 4.8858 4.8858 4.9461 4.9461 5.1155 5.1155 5.2223 5.2223 5.2965 5.2965 5.3349 5.3349 5.3737 5.3737 5.5167 5.5167 5.5440 5.5440 5.6321 5.6321 5.6747 5.6747 6.9158 6.9158 6.9879 6.9879 9.9462 9.9462 10.0545 10.0545 11.0689 11.0689 11.1427 11.1427 11.1936 11.1936 k = 0.3194 0.5533-0.0000 ( 4963 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2243 -14.2243 -14.2110 -14.2110 -13.8627 -13.8627 -13.8422 -13.8422 -13.8309 -13.8309 -13.8267 -13.8267 -0.8146 -0.8146 -0.7994 -0.7994 3.4144 3.4144 3.5932 3.5932 4.2330 4.2330 4.8846 4.8846 4.9462 4.9462 5.1144 5.1144 5.2204 5.2204 5.2911 5.2911 5.3296 5.3296 5.3875 5.3875 5.5217 5.5217 5.5452 5.5452 5.6335 5.6335 5.6806 5.6806 6.8840 6.8840 7.0158 7.0158 9.8957 9.8957 10.1088 10.1088 11.0246 11.0246 11.1059 11.1059 11.2084 11.2084 k = 0.3125 0.5413-0.0000 ( 4965 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2243 -14.2243 -14.2109 -14.2109 -13.8628 -13.8628 -13.8422 -13.8422 -13.8308 -13.8308 -13.8266 -13.8266 -0.8241 -0.8241 -0.7995 -0.7995 3.4116 3.4116 3.5837 3.5837 4.2656 4.2656 4.8821 4.8821 4.9466 4.9466 5.1125 5.1125 5.2168 5.2168 5.2839 5.2839 5.3282 5.3282 5.4012 5.4012 5.5293 5.5293 5.5477 5.5477 5.6357 5.6357 5.6911 5.6911 6.8475 6.8475 7.0458 7.0458 9.8481 9.8481 10.1631 10.1631 10.9675 10.9675 11.0787 11.0787 11.2329 11.2329 k = 0.3056 0.5292-0.0000 ( 4961 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2243 -14.2243 -14.2109 -14.2109 -13.8628 -13.8628 -13.8422 -13.8422 -13.8306 -13.8306 -13.8265 -13.8265 -0.8364 -0.8364 -0.8011 -0.8011 3.4092 3.4092 3.5735 3.5735 4.3069 4.3069 4.8782 4.8782 4.9478 4.9478 5.1096 5.1096 5.2112 5.2112 5.2776 5.2776 5.3302 5.3302 5.4126 5.4126 5.5369 5.5369 5.5535 5.5535 5.6393 5.6393 5.7068 5.7068 6.8075 6.8075 7.0766 7.0766 9.8035 9.8035 10.2175 10.2175 10.9055 10.9055 11.0561 11.0561 11.2666 11.2666 k = 0.2986 0.5172-0.0000 ( 4969 PWs) bands (ev): -32.9332 -32.9332 -32.9302 -32.9302 -14.2242 -14.2242 -14.2108 -14.2108 -13.8629 -13.8629 -13.8421 -13.8421 -13.8304 -13.8304 -13.8263 -13.8263 -0.8515 -0.8515 -0.8041 -0.8041 3.4079 3.4079 3.5644 3.5644 4.3543 4.3543 4.8727 4.8727 4.9499 4.9499 5.1056 5.1056 5.2044 5.2044 5.2738 5.2738 5.3347 5.3347 5.4212 5.4212 5.5415 5.5415 5.5642 5.5642 5.6450 5.6450 5.7284 5.7284 6.7646 6.7646 7.1078 7.1078 9.7621 9.7621 10.2722 10.2722 10.8418 10.8418 11.0360 11.0361 11.3086 11.3086 k = 0.2917 0.5052-0.0000 ( 4965 PWs) bands (ev): -32.9332 -32.9332 -32.9302 -32.9302 -14.2242 -14.2242 -14.2106 -14.2106 -13.8629 -13.8629 -13.8419 -13.8419 -13.8302 -13.8302 -13.8262 -13.8262 -0.8695 -0.8695 -0.8088 -0.8088 3.4082 3.4082 3.5577 3.5577 4.4053 4.4053 4.8655 4.8655 4.9529 4.9529 5.1000 5.1000 5.1981 5.1981 5.2723 5.2723 5.3412 5.3412 5.4274 5.4274 5.5440 5.5440 5.5769 5.5769 5.6537 5.6537 5.7563 5.7563 6.7192 6.7192 7.1393 7.1393 9.7239 9.7239 10.3275 10.3275 10.7778 10.7778 11.0178 11.0178 11.3580 11.3580 k = 0.2847 0.4932-0.0000 ( 4953 PWs) bands (ev): -32.9332 -32.9332 -32.9302 -32.9302 -14.2241 -14.2241 -14.2104 -14.2104 -13.8630 -13.8630 -13.8418 -13.8418 -13.8298 -13.8298 -13.8259 -13.8259 -0.8905 -0.8905 -0.8150 -0.8150 3.4107 3.4107 3.5544 3.5544 4.4577 4.4577 4.8569 4.8569 4.9570 4.9570 5.0924 5.0924 5.1943 5.1943 5.2727 5.2727 5.3497 5.3497 5.4319 5.4319 5.5457 5.5457 5.5885 5.5885 5.6668 5.6668 5.7905 5.7905 6.6715 6.6715 7.1707 7.1707 9.6891 9.6891 10.3836 10.3836 10.7141 10.7141 11.0010 11.0010 11.4135 11.4135 k = 0.2778 0.4811-0.0000 ( 4961 PWs) bands (ev): -32.9333 -32.9333 -32.9302 -32.9302 -14.2240 -14.2240 -14.2103 -14.2103 -13.8631 -13.8631 -13.8416 -13.8416 -13.8295 -13.8295 -13.8257 -13.8257 -0.9143 -0.9143 -0.8229 -0.8229 3.4160 3.4160 3.5549 3.5549 4.5095 4.5095 4.8469 4.8469 4.9619 4.9619 5.0823 5.0823 5.1947 5.1947 5.2744 5.2744 5.3598 5.3598 5.4351 5.4351 5.5469 5.5469 5.5977 5.5977 5.6847 5.6847 5.8305 5.8305 6.6221 6.6221 7.2020 7.2020 9.6579 9.6579 10.4399 10.4399 10.6517 10.6517 10.9856 10.9856 11.4738 11.4738 k = 0.2708 0.4691-0.0000 ( 4943 PWs) bands (ev): -32.9333 -32.9333 -32.9302 -32.9302 -14.2239 -14.2239 -14.2100 -14.2100 -13.8631 -13.8631 -13.8413 -13.8413 -13.8291 -13.8291 -13.8255 -13.8255 -0.9409 -0.9409 -0.8324 -0.8324 3.4245 3.4245 3.5594 3.5594 4.5583 4.5583 4.8362 4.8362 4.9678 4.9678 5.0699 5.0699 5.2007 5.2007 5.2772 5.2772 5.3716 5.3716 5.4377 5.4377 5.5480 5.5480 5.6046 5.6046 5.7077 5.7077 5.8757 5.8757 6.5712 6.5712 7.2330 7.2330 9.6304 9.6304 10.4932 10.4932 10.5946 10.5946 10.9719 10.9719 11.5371 11.5371 k = 0.2639 0.4571-0.0000 ( 4939 PWs) bands (ev): -32.9333 -32.9333 -32.9303 -32.9303 -14.2238 -14.2238 -14.2098 -14.2098 -13.8631 -13.8631 -13.8410 -13.8410 -13.8286 -13.8286 -13.8253 -13.8253 -0.9703 -0.9703 -0.8436 -0.8436 3.4366 3.4366 3.5678 3.5678 4.6018 4.6018 4.8249 4.8249 4.9745 4.9745 5.0558 5.0558 5.2126 5.2126 5.2809 5.2809 5.3849 5.3849 5.4401 5.4401 5.5493 5.5493 5.6099 5.6099 5.7353 5.7353 5.9256 5.9256 6.5192 6.5192 7.2635 7.2635 9.6067 9.6067 10.5041 10.5041 10.5824 10.5824 10.9596 10.9596 11.6010 11.6010 k = 0.2569 0.4450-0.0000 ( 4935 PWs) bands (ev): -32.9333 -32.9333 -32.9303 -32.9303 -14.2236 -14.2236 -14.2095 -14.2095 -13.8632 -13.8632 -13.8407 -13.8407 -13.8282 -13.8282 -13.8250 -13.8250 -1.0022 -1.0022 -0.8564 -0.8564 3.4524 3.4524 3.5802 3.5802 4.6375 4.6375 4.8139 4.8139 4.9819 4.9819 5.0406 5.0406 5.2306 5.2306 5.2860 5.2860 5.3991 5.3991 5.4431 5.4431 5.5510 5.5510 5.6143 5.6143 5.7675 5.7675 5.9795 5.9795 6.4667 6.4667 7.2933 7.2933 9.5870 9.5870 10.4533 10.4533 10.6344 10.6344 10.9490 10.9490 11.5889 11.5889 k = 0.2500 0.4330-0.0000 ( 4939 PWs) bands (ev): -32.9334 -32.9334 -32.9303 -32.9303 -14.2235 -14.2235 -14.2093 -14.2093 -13.8632 -13.8632 -13.8403 -13.8403 -13.8277 -13.8277 -13.8248 -13.8248 -1.0365 -1.0365 -0.8706 -0.8706 3.4722 3.4722 3.5962 3.5962 4.6633 4.6633 4.8039 4.8039 4.9893 4.9893 5.0255 5.0255 5.2524 5.2524 5.2943 5.2943 5.4127 5.4127 5.4483 5.4483 5.5538 5.5538 5.6181 5.6181 5.8041 5.8041 6.0370 6.0370 6.4141 6.4141 7.3223 7.3223 9.5714 9.5714 10.3952 10.3952 10.6959 10.6959 10.9401 10.9401 11.5446 11.5446 k = 0.2431 0.4210-0.0000 ( 4943 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2234 -14.2234 -14.2090 -14.2090 -13.8632 -13.8632 -13.8399 -13.8399 -13.8271 -13.8271 -13.8245 -13.8245 -1.0730 -1.0730 -0.8864 -0.8864 3.4959 3.4959 3.6156 3.6156 4.6777 4.6777 4.7959 4.7959 4.9922 4.9922 5.0151 5.0151 5.2715 5.2715 5.3114 5.3114 5.4227 5.4227 5.4588 5.4588 5.5587 5.5587 5.6218 5.6218 5.8453 5.8453 6.0976 6.0976 6.3618 6.3618 7.3503 7.3503 9.5601 9.5601 10.3371 10.3371 10.7592 10.7592 10.9337 10.9337 11.4928 11.4928 k = 0.2361 0.4090-0.0000 ( 4939 PWs) bands (ev): -32.9335 -32.9335 -32.9304 -32.9304 -14.2232 -14.2232 -14.2086 -14.2086 -13.8632 -13.8632 -13.8395 -13.8395 -13.8266 -13.8266 -13.8243 -13.8243 -1.1114 -1.1114 -0.9034 -0.9034 3.5233 3.5233 3.6383 3.6383 4.6806 4.6806 4.7902 4.7902 4.9821 4.9821 5.0183 5.0183 5.2822 5.2822 5.3411 5.3411 5.4279 5.4279 5.4752 5.4752 5.5676 5.5676 5.6255 5.6255 5.8913 5.8913 6.1608 6.1608 6.3109 6.3109 7.3772 7.3772 9.5532 9.5532 10.2800 10.2800 10.8210 10.8210 10.9315 10.9315 11.4363 11.4363 k = 0.2292 0.3969-0.0000 ( 4939 PWs) bands (ev): -32.9335 -32.9335 -32.9305 -32.9305 -14.2230 -14.2230 -14.2083 -14.2083 -13.8632 -13.8632 -13.8389 -13.8389 -13.8260 -13.8260 -13.8240 -13.8240 -1.1516 -1.1516 -0.9218 -0.9218 3.5544 3.5544 3.6639 3.6639 4.6742 4.6742 4.7858 4.7858 4.9659 4.9659 5.0276 5.0276 5.2885 5.2885 5.3760 5.3760 5.4303 5.4303 5.4944 5.4944 5.5830 5.5830 5.6299 5.6299 5.9417 5.9417 6.2224 6.2224 6.2659 6.2659 7.4029 7.4029 9.5508 9.5508 10.2243 10.2243 10.8713 10.8713 10.9430 10.9430 11.3767 11.3767 k = 0.2222 0.3849-0.0000 ( 4949 PWs) bands (ev): -32.9336 -32.9336 -32.9305 -32.9305 -14.2228 -14.2228 -14.2079 -14.2079 -13.8632 -13.8632 -13.8384 -13.8384 -13.8254 -13.8254 -13.8238 -13.8238 -1.1932 -1.1932 -0.9413 -0.9413 3.5888 3.5888 3.6922 3.6922 4.6611 4.6611 4.7811 4.7811 4.9484 4.9484 5.0384 5.0384 5.2934 5.2934 5.4083 5.4083 5.4325 5.4325 5.5145 5.5145 5.6055 5.6055 5.6379 5.6379 5.9955 5.9955 6.2095 6.2095 6.3012 6.3012 7.4272 7.4272 9.5529 9.5529 10.1701 10.1701 10.8911 10.8911 10.9861 10.9861 11.3152 11.3152 k = 0.2153 0.3729-0.0000 ( 4937 PWs) bands (ev): -32.9336 -32.9336 -32.9306 -32.9306 -14.2226 -14.2226 -14.2074 -14.2074 -13.8632 -13.8632 -13.8377 -13.8377 -13.8247 -13.8247 -13.8235 -13.8235 -1.2361 -1.2361 -0.9618 -0.9618 3.6262 3.6262 3.7229 3.7229 4.6437 4.6437 4.7750 4.7750 4.9307 4.9307 5.0496 5.0496 5.2977 5.2977 5.4252 5.4252 5.4429 5.4429 5.5374 5.5374 5.6230 5.6230 5.6622 5.6622 6.0470 6.0470 6.1736 6.1736 6.3714 6.3714 7.4501 7.4501 9.5598 9.5598 10.1177 10.1177 10.8941 10.8941 11.0467 11.0467 11.2527 11.2527 k = 0.2083 0.3608-0.0000 ( 4941 PWs) bands (ev): -32.9337 -32.9337 -32.9306 -32.9306 -14.2224 -14.2224 -14.2070 -14.2070 -13.8632 -13.8632 -13.8371 -13.8371 -13.8241 -13.8241 -13.8232 -13.8232 -1.2799 -1.2799 -0.9833 -0.9833 3.6663 3.6663 3.7557 3.7557 4.6233 4.6233 4.7673 4.7673 4.9129 4.9129 5.0608 5.0608 5.3016 5.3016 5.4272 5.4272 5.4581 5.4581 5.5663 5.5663 5.6299 5.6299 5.7070 5.7070 6.0678 6.0678 6.1743 6.1743 6.4449 6.4449 7.4715 7.4715 9.5714 9.5714 10.0671 10.0671 10.8934 10.8934 11.1102 11.1102 11.1897 11.1897 k = 0.2014 0.3488-0.0000 ( 4943 PWs) bands (ev): -32.9338 -32.9338 -32.9307 -32.9307 -14.2222 -14.2222 -14.2065 -14.2065 -13.8632 -13.8632 -13.8363 -13.8363 -13.8235 -13.8235 -13.8229 -13.8229 -1.3245 -1.3245 -1.0055 -1.0055 3.7084 3.7084 3.7901 3.7901 4.6008 4.6008 4.7579 4.7579 4.8952 4.8952 5.0720 5.0720 5.3053 5.3053 5.4269 5.4269 5.4671 5.4671 5.6017 5.6017 5.6337 5.6337 5.7621 5.7621 6.0423 6.0423 6.2283 6.2283 6.5208 6.5208 7.4914 7.4914 9.5877 9.5877 10.0185 10.0185 10.8919 10.8919 11.1266 11.1266 11.1724 11.1724 k = 0.1944 0.3368-0.0000 ( 4941 PWs) bands (ev): -32.9338 -32.9338 -32.9307 -32.9307 -14.2219 -14.2219 -14.2061 -14.2061 -13.8631 -13.8631 -13.8356 -13.8356 -13.8230 -13.8230 -13.8224 -13.8224 -1.3695 -1.3695 -1.0283 -1.0283 3.7522 3.7522 3.8261 3.8261 4.5767 4.5767 4.7471 4.7471 4.8775 4.8775 5.0831 5.0831 5.3089 5.3089 5.4260 5.4260 5.4715 5.4715 5.6358 5.6358 5.6430 5.6430 5.8235 5.8235 6.0052 6.0052 6.3008 6.3008 6.5989 6.5989 7.5098 7.5098 9.6086 9.6086 9.9719 9.9719 10.8901 10.8901 11.0641 11.0641 11.2307 11.2307 k = 0.1875 0.3248-0.0000 ( 4933 PWs) bands (ev): -32.9339 -32.9339 -32.9308 -32.9308 -14.2217 -14.2217 -14.2056 -14.2056 -13.8630 -13.8630 -13.8348 -13.8348 -13.8227 -13.8227 -13.8218 -13.8218 -1.4148 -1.4148 -1.0516 -1.0516 3.7972 3.7972 3.8631 3.8631 4.5512 4.5512 4.7352 4.7352 4.8602 4.8602 5.0939 5.0939 5.3125 5.3125 5.4249 5.4249 5.4730 5.4730 5.6387 5.6387 5.6870 5.6870 5.8888 5.8888 5.9685 5.9685 6.3806 6.3806 6.6788 6.6788 7.5268 7.5268 9.6342 9.6342 9.9276 9.9276 10.8877 10.8877 11.0025 11.0025 11.2826 11.2826 k = 0.1806 0.3127-0.0000 ( 4937 PWs) bands (ev): -32.9340 -32.9340 -32.9309 -32.9309 -14.2215 -14.2215 -14.2051 -14.2051 -13.8630 -13.8630 -13.8340 -13.8340 -13.8224 -13.8224 -13.8211 -13.8211 -1.4601 -1.4601 -1.0753 -1.0753 3.8427 3.8427 3.9011 3.9011 4.5247 4.5247 4.7223 4.7223 4.8430 4.8430 5.1043 5.1043 5.3160 5.3160 5.4235 5.4235 5.4728 5.4728 5.6406 5.6406 5.7350 5.7350 5.9245 5.9245 5.9676 5.9676 6.4646 6.4646 6.7604 6.7604 7.5425 7.5425 9.6643 9.6643 9.8856 9.8856 10.8831 10.8831 10.9436 10.9436 11.3244 11.3244 k = 0.1736 0.3007-0.0000 ( 4943 PWs) bands (ev): -32.9340 -32.9340 -32.9309 -32.9309 -14.2212 -14.2212 -14.2045 -14.2045 -13.8629 -13.8629 -13.8331 -13.8331 -13.8221 -13.8221 -13.8204 -13.8204 -1.5053 -1.5053 -1.0992 -1.0992 3.8881 3.8881 3.9399 3.9399 4.4974 4.4974 4.7087 4.7087 4.8261 4.8261 5.1143 5.1143 5.3196 5.3196 5.4219 5.4219 5.4717 5.4717 5.6420 5.6420 5.7852 5.7852 5.8966 5.8966 6.0386 6.0386 6.5517 6.5517 6.8435 6.8435 7.5570 7.5570 9.6988 9.6988 9.8460 9.8460 10.8637 10.8637 10.8999 10.8999 11.3519 11.3519 k = 0.1667 0.2887-0.0000 ( 4951 PWs) bands (ev): -32.9341 -32.9341 -32.9310 -32.9310 -14.2210 -14.2210 -14.2040 -14.2040 -13.8628 -13.8628 -13.8323 -13.8323 -13.8219 -13.8219 -13.8196 -13.8196 -1.5500 -1.5500 -1.1232 -1.1232 3.9325 3.9325 3.9793 3.9793 4.4696 4.4696 4.6945 4.6945 4.8097 4.8097 5.1238 5.1238 5.3233 5.3233 5.4201 5.4201 5.4699 5.4699 5.6428 5.6428 5.8260 5.8260 5.8815 5.8815 6.1168 6.1168 6.6408 6.6408 6.9278 6.9278 7.5707 7.5707 9.7373 9.7373 9.8091 9.8091 10.8134 10.8134 10.8873 10.8873 11.3624 11.3624 k = 0.1597 0.2766-0.0000 ( 4955 PWs) bands (ev): -32.9342 -32.9342 -32.9311 -32.9311 -14.2208 -14.2208 -14.2035 -14.2035 -13.8628 -13.8628 -13.8314 -13.8314 -13.8216 -13.8216 -13.8189 -13.8189 -1.5942 -1.5942 -1.1471 -1.1471 3.9751 3.9751 4.0196 4.0196 4.4416 4.4416 4.6799 4.6799 4.7936 4.7936 5.1327 5.1327 5.3272 5.3272 5.4182 5.4182 5.4678 5.4678 5.6429 5.6429 5.8203 5.8203 5.9201 5.9201 6.1995 6.1995 6.7310 6.7310 7.0131 7.0131 7.5839 7.5839 9.7711 9.7711 9.7835 9.7835 10.7571 10.7571 10.8803 10.8803 11.3569 11.3569 k = 0.1528 0.2646-0.0000 ( 4955 PWs) bands (ev): -32.9342 -32.9342 -32.9311 -32.9311 -14.2205 -14.2205 -14.2029 -14.2029 -13.8627 -13.8627 -13.8305 -13.8305 -13.8214 -13.8214 -13.8181 -13.8181 -1.6375 -1.6375 -1.1709 -1.1709 4.0149 4.0149 4.0608 4.0608 4.4136 4.4136 4.6651 4.6651 4.7780 4.7780 5.1409 5.1409 5.3312 5.3312 5.4162 5.4162 5.4653 5.4653 5.6419 5.6419 5.7984 5.7984 5.9824 5.9824 6.2865 6.2865 6.8216 6.8216 7.0989 7.0989 7.5970 7.5970 9.7420 9.7420 9.8273 9.8273 10.7013 10.7013 10.8722 10.8722 11.3395 11.3395 k = 0.1458 0.2526-0.0000 ( 4955 PWs) bands (ev): -32.9343 -32.9343 -32.9312 -32.9312 -14.2203 -14.2203 -14.2024 -14.2024 -13.8626 -13.8626 -13.8296 -13.8296 -13.8212 -13.8212 -13.8173 -13.8173 -1.6800 -1.6800 -1.1944 -1.1944 4.0514 4.0514 4.1025 4.1025 4.3862 4.3862 4.6502 4.6502 4.7629 4.7629 5.1485 5.1485 5.3355 5.3355 5.4141 5.4141 5.4627 5.4627 5.6397 5.6397 5.7776 5.7776 6.0519 6.0519 6.3778 6.3778 6.9118 6.9118 7.1845 7.1845 7.6109 7.6109 9.7132 9.7132 9.8771 9.8771 10.6468 10.6468 10.8614 10.8614 11.3149 11.3149 k = 0.1389 0.2406-0.0000 ( 4947 PWs) bands (ev): -32.9344 -32.9344 -32.9313 -32.9313 -14.2200 -14.2200 -14.2018 -14.2018 -13.8625 -13.8625 -13.8287 -13.8287 -13.8209 -13.8209 -13.8165 -13.8165 -1.7214 -1.7214 -1.2175 -1.2175 4.0842 4.0842 4.1442 4.1442 4.3600 4.3600 4.6354 4.6354 4.7483 4.7483 5.1552 5.1552 5.3401 5.3401 5.4119 5.4119 5.4601 5.4601 5.6360 5.6360 5.7598 5.7598 6.1266 6.1266 6.4736 6.4736 7.0008 7.0008 7.2685 7.2685 7.6270 7.6270 9.6872 9.6872 9.9303 9.9303 10.5941 10.5941 10.8470 10.8470 11.2862 11.2862 k = 0.1319 0.2285-0.0000 ( 4943 PWs) bands (ev): -32.9344 -32.9344 -32.9313 -32.9313 -14.2198 -14.2198 -14.2013 -14.2013 -13.8624 -13.8624 -13.8278 -13.8278 -13.8206 -13.8206 -13.8158 -13.8158 -1.7615 -1.7615 -1.2401 -1.2401 4.1126 4.1126 4.1851 4.1851 4.3362 4.3362 4.6206 4.6206 4.7342 4.7342 5.1611 5.1611 5.3448 5.3448 5.4095 5.4095 5.4573 5.4573 5.6306 5.6306 5.7457 5.7457 6.2062 6.2062 6.5738 6.5738 7.0881 7.0881 7.3487 7.3487 7.6475 7.6475 9.6642 9.6642 9.9864 9.9864 10.5433 10.5433 10.8279 10.8279 11.2555 11.2555 k = 0.1250 0.2165-0.0000 ( 4941 PWs) bands (ev): -32.9345 -32.9345 -32.9314 -32.9314 -14.2195 -14.2195 -14.2008 -14.2008 -13.8623 -13.8623 -13.8270 -13.8270 -13.8203 -13.8203 -13.8150 -13.8150 -1.8003 -1.8003 -1.2621 -1.2621 4.1350 4.1350 4.2246 4.2246 4.3168 4.3168 4.6062 4.6062 4.7208 4.7208 5.1661 5.1661 5.3498 5.3498 5.4070 5.4070 5.4546 5.4546 5.6237 5.6237 5.7351 5.7351 6.2903 6.2903 6.6784 6.6784 7.1729 7.1729 7.4214 7.4214 7.6764 7.6764 9.6442 9.6442 10.0451 10.0451 10.4946 10.4946 10.8032 10.8032 11.2241 11.2241 k = 0.1181 0.2045-0.0000 ( 4929 PWs) bands (ev): -32.9346 -32.9346 -32.9315 -32.9315 -14.2193 -14.2193 -14.2002 -14.2002 -13.8622 -13.8622 -13.8262 -13.8262 -13.8200 -13.8200 -13.8142 -13.8142 -1.8376 -1.8376 -1.2834 -1.2834 4.1490 4.1490 4.2614 4.2614 4.3053 4.3053 4.5920 4.5920 4.7079 4.7079 5.1704 5.1704 5.3550 5.3550 5.4046 5.4046 5.4518 5.4518 5.6156 5.6156 5.7277 5.7277 6.3788 6.3788 6.7870 6.7870 7.2546 7.2546 7.4812 7.4812 7.7193 7.7193 9.6272 9.6272 10.1059 10.1059 10.4482 10.4482 10.7719 10.7719 11.1926 11.1926 k = 0.1111 0.1925-0.0000 ( 4929 PWs) bands (ev): -32.9346 -32.9346 -32.9315 -32.9315 -14.2191 -14.2191 -14.1997 -14.1997 -13.8621 -13.8621 -13.8254 -13.8254 -13.8196 -13.8196 -13.8135 -13.8135 -1.8733 -1.8733 -1.3040 -1.3040 4.1519 4.1519 4.2889 4.2889 4.3111 4.3111 4.5784 4.5784 4.6958 4.6958 5.1739 5.1739 5.3602 5.3602 5.4020 5.4020 5.4492 5.4492 5.6070 5.6070 5.7227 5.7227 6.4714 6.4714 6.8992 6.8992 7.3328 7.3328 7.5252 7.5252 7.7794 7.7794 9.6132 9.6132 10.1685 10.1685 10.4041 10.4041 10.7334 10.7334 11.1618 11.1618 k = 0.1042 0.1804-0.0000 ( 4925 PWs) bands (ev): -32.9347 -32.9347 -32.9316 -32.9316 -14.2189 -14.2189 -14.1992 -14.1992 -13.8620 -13.8620 -13.8248 -13.8248 -13.8192 -13.8192 -13.8128 -13.8128 -1.9074 -1.9074 -1.3236 -1.3236 4.1440 4.1440 4.3015 4.3015 4.3392 4.3392 4.5653 4.5653 4.6842 4.6842 5.1767 5.1767 5.3654 5.3654 5.3996 5.3996 5.4465 5.4465 5.5983 5.5983 5.7195 5.7195 6.5678 6.5678 7.0142 7.0142 7.4069 7.4069 7.5565 7.5565 7.8542 7.8542 9.6021 9.6021 10.2324 10.2324 10.3625 10.3625 10.6871 10.6871 11.1318 11.1318 k = 0.0972 0.1684-0.0000 ( 4933 PWs) bands (ev): -32.9348 -32.9348 -32.9317 -32.9317 -14.2187 -14.2187 -14.1988 -14.1988 -13.8619 -13.8619 -13.8242 -13.8242 -13.8188 -13.8188 -13.8121 -13.8121 -1.9396 -1.9396 -1.3424 -1.3424 4.1291 4.1291 4.3151 4.3151 4.3703 4.3703 4.5528 4.5528 4.6733 4.6733 5.1787 5.1787 5.3703 5.3703 5.3974 5.3974 5.4440 5.4440 5.5900 5.5900 5.7176 5.7176 6.6678 6.6678 7.1304 7.1304 7.4766 7.4766 7.5815 7.5815 7.9385 7.9385 9.5938 9.5938 10.2970 10.2970 10.3234 10.3234 10.6326 10.6326 11.1030 11.1030 k = 0.0903 0.1564-0.0000 ( 4925 PWs) bands (ev): -32.9348 -32.9348 -32.9317 -32.9317 -14.2185 -14.2185 -14.1983 -14.1983 -13.8619 -13.8619 -13.8237 -13.8237 -13.8183 -13.8183 -13.8114 -13.8114 -1.9699 -1.9699 -1.3601 -1.3601 4.1106 4.1106 4.3305 4.3305 4.3999 4.3999 4.5411 4.5411 4.6632 4.6632 5.1803 5.1803 5.3746 5.3746 5.3958 5.3958 5.4416 5.4416 5.5824 5.5824 5.7165 5.7165 6.7708 6.7708 7.2445 7.2445 7.5420 7.5420 7.6068 7.6068 8.0285 8.0285 9.5881 9.5881 10.2869 10.2869 10.3619 10.3619 10.5701 10.5701 11.0757 11.0757 k = 0.0833 0.1443-0.0000 ( 4917 PWs) bands (ev): -32.9349 -32.9349 -32.9318 -32.9318 -14.2183 -14.2183 -14.1979 -14.1979 -13.8618 -13.8618 -13.8232 -13.8232 -13.8177 -13.8177 -13.8107 -13.8107 -1.9983 -1.9983 -1.3768 -1.3768 4.0908 4.0908 4.3464 4.3464 4.4271 4.4271 4.5305 4.5305 4.6539 4.6539 5.1813 5.1813 5.3774 5.3774 5.3956 5.3956 5.4393 5.4393 5.5755 5.5755 5.7161 5.7161 6.8764 6.8764 7.3492 7.3492 7.6033 7.6033 7.6411 7.6411 8.1217 8.1217 9.5846 9.5846 10.2530 10.2530 10.4260 10.4260 10.4999 10.4999 11.0499 11.0499 k = 0.0764 0.1323-0.0000 ( 4903 PWs) bands (ev): -32.9349 -32.9349 -32.9318 -32.9318 -14.2181 -14.2181 -14.1975 -14.1975 -13.8617 -13.8617 -13.8229 -13.8229 -13.8172 -13.8172 -13.8101 -13.8101 -2.0247 -2.0247 -1.3923 -1.3923 4.0709 4.0709 4.3618 4.3618 4.4516 4.4516 4.5211 4.5211 4.6455 4.6455 5.1820 5.1820 5.3783 5.3783 5.3972 5.3972 5.4372 5.4372 5.5695 5.5695 5.7160 5.7160 6.9839 6.9839 7.4322 7.4322 7.6564 7.6564 7.7017 7.7017 8.2167 8.2167 9.5832 9.5832 10.2219 10.2219 10.4210 10.4210 10.4906 10.4906 11.0256 11.0260 k = 0.0694 0.1203-0.0000 ( 4907 PWs) bands (ev): -32.9350 -32.9350 -32.9319 -32.9319 -14.2179 -14.2179 -14.1971 -14.1971 -13.8616 -13.8616 -13.8226 -13.8226 -13.8166 -13.8166 -13.8095 -13.8095 -2.0490 -2.0490 -1.4066 -1.4066 4.0517 4.0517 4.3760 4.3760 4.4722 4.4722 4.5140 4.5140 4.6379 4.6379 5.1823 5.1823 5.3775 5.3775 5.4003 5.4003 5.4352 5.4352 5.5642 5.5642 5.7161 5.7161 7.0926 7.0926 7.4850 7.4850 7.7019 7.7019 7.7964 7.7964 8.3125 8.3125 9.5833 9.5833 10.1934 10.1934 10.3371 10.3371 10.5517 10.5517 10.9028 10.9028 k = 0.0625 0.1083-0.0000 ( 4907 PWs) bands (ev): -32.9350 -32.9350 -32.9319 -32.9319 -14.2178 -14.2178 -14.1967 -14.1967 -13.8616 -13.8616 -13.8224 -13.8224 -13.8161 -13.8161 -13.8090 -13.8090 -2.0711 -2.0711 -1.4197 -1.4197 4.0335 4.0335 4.3887 4.3887 4.4855 4.4855 4.5128 4.5128 4.6315 4.6315 5.1823 5.1823 5.3759 5.3759 5.4041 5.4041 5.4334 5.4334 5.5597 5.5597 5.7163 5.7163 7.2015 7.2015 7.5147 7.5147 7.7436 7.7436 7.9147 7.9147 8.4085 8.4085 9.5846 9.5846 10.1673 10.1673 10.2478 10.2478 10.6105 10.6105 10.7831 10.7831 k = 0.0556 0.0962-0.0000 ( 4905 PWs) bands (ev): -32.9351 -32.9351 -32.9319 -32.9319 -14.2176 -14.2176 -14.1965 -14.1965 -13.8615 -13.8615 -13.8222 -13.8222 -13.8156 -13.8156 -13.8085 -13.8085 -2.0910 -2.0910 -1.4316 -1.4316 4.0168 4.0168 4.3998 4.3998 4.4872 4.4872 4.5218 4.5218 4.6260 4.6260 5.1822 5.1822 5.3739 5.3739 5.4080 5.4080 5.4318 5.4318 5.5559 5.5559 5.7167 5.7167 7.3093 7.3093 7.5319 7.5319 7.7810 7.7810 8.0458 8.0458 8.5041 8.5041 9.5867 9.5867 10.1387 10.1387 10.1596 10.1596 10.6654 10.6654 10.6686 10.6686 k = 0.0486 0.0842-0.0000 ( 4895 PWs) bands (ev): -32.9351 -32.9351 -32.9320 -32.9320 -14.2175 -14.2175 -14.1962 -14.1962 -13.8614 -13.8614 -13.8221 -13.8221 -13.8151 -13.8151 -13.8080 -13.8080 -2.1087 -2.1087 -1.4421 -1.4421 4.0017 4.0017 4.4090 4.4090 4.4842 4.4842 4.5341 4.5341 4.6220 4.6220 5.1819 5.1819 5.3719 5.3719 5.4118 5.4118 5.4303 5.4303 5.5527 5.5527 5.7171 5.7171 7.4142 7.4142 7.5429 7.5429 7.8143 7.8143 8.1830 8.1830 8.5986 8.5986 9.5892 9.5892 10.0553 10.0553 10.1268 10.1268 10.5592 10.5592 10.7167 10.7167 k = 0.0417 0.0722-0.0000 ( 4897 PWs) bands (ev): -32.9351 -32.9351 -32.9320 -32.9320 -14.2174 -14.2174 -14.1960 -14.1960 -13.8614 -13.8614 -13.8220 -13.8220 -13.8147 -13.8147 -13.8076 -13.8076 -2.1241 -2.1241 -1.4513 -1.4513 3.9883 3.9883 4.4162 4.4162 4.4811 4.4811 4.5449 4.5449 4.6193 4.6193 5.1815 5.1815 5.3700 5.3700 5.4153 5.4153 5.4290 5.4290 5.5501 5.5501 5.7175 5.7175 7.5127 7.5127 7.5519 7.5519 7.8440 7.8440 8.3218 8.3218 8.6915 8.6915 9.5917 9.5917 9.9604 9.9604 10.1083 10.1083 10.4570 10.4570 10.7613 10.7615 k = 0.0347 0.0601-0.0000 ( 4901 PWs) bands (ev): -32.9352 -32.9352 -32.9320 -32.9320 -14.2173 -14.2173 -14.1958 -14.1958 -13.8614 -13.8614 -13.8219 -13.8219 -13.8143 -13.8143 -13.8073 -13.8073 -2.1372 -2.1372 -1.4591 -1.4591 3.9768 3.9768 4.4213 4.4213 4.4790 4.4790 4.5532 4.5532 4.6183 4.6183 5.1811 5.1811 5.3683 5.3683 5.4183 5.4183 5.4279 5.4279 5.5479 5.5479 5.7179 5.7179 7.5527 7.5527 7.6089 7.6089 7.8712 7.8712 8.4578 8.4578 8.7824 8.7824 9.5939 9.5939 9.8683 9.8683 10.0925 10.0925 10.3631 10.3631 10.6025 10.6025 k = 0.0278 0.0481-0.0000 ( 4901 PWs) bands (ev): -32.9352 -32.9352 -32.9320 -32.9320 -14.2172 -14.2172 -14.1956 -14.1956 -13.8613 -13.8613 -13.8218 -13.8218 -13.8140 -13.8140 -13.8070 -13.8070 -2.1479 -2.1479 -1.4656 -1.4656 3.9673 3.9673 4.4246 4.4246 4.4781 4.4781 4.5589 4.5589 4.6186 4.6186 5.1808 5.1808 5.3669 5.3669 5.4209 5.4209 5.4270 5.4270 5.5462 5.5462 5.7182 5.7182 7.5573 7.5573 7.6878 7.6878 7.8974 7.8974 8.5855 8.5855 8.8712 8.8712 9.5954 9.5954 9.7833 9.7833 10.0784 10.0784 10.2794 10.2794 10.4418 10.4418 k = 0.0208 0.0361-0.0000 ( 4909 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2172 -14.2172 -14.1954 -14.1954 -13.8613 -13.8613 -13.8218 -13.8218 -13.8137 -13.8137 -13.8069 -13.8069 -2.1563 -2.1563 -1.4706 -1.4706 3.9598 3.9598 4.4264 4.4264 4.4781 4.4781 4.5623 4.5623 4.6198 4.6198 5.1804 5.1804 5.3657 5.3657 5.4229 5.4229 5.4262 5.4262 5.5450 5.5450 5.7185 5.7185 7.5600 7.5600 7.7501 7.7501 7.9240 7.9240 8.6971 8.6971 8.9577 8.9577 9.5958 9.5958 9.7098 9.7098 10.0641 10.0641 10.2083 10.2083 10.2975 10.2975 k = 0.0139 0.0241-0.0000 ( 4915 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2172 -14.2172 -14.1954 -14.1954 -13.8613 -13.8613 -13.8217 -13.8217 -13.8136 -13.8136 -13.8067 -13.8067 -2.1623 -2.1623 -1.4742 -1.4742 3.9545 3.9545 4.4272 4.4272 4.4785 4.4785 4.5642 4.5642 4.6212 4.6212 5.1802 5.1802 5.3649 5.3649 5.4243 5.4243 5.4257 5.4257 5.5441 5.5441 5.7186 5.7186 7.5617 7.5617 7.7920 7.7920 7.9502 7.9502 8.7830 8.7830 9.0388 9.0388 9.5946 9.5946 9.6525 9.6525 10.0441 10.0441 10.1535 10.1535 10.1841 10.1841 k = 0.0069 0.0120-0.0000 ( 4923 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2172 -14.2172 -14.1953 -14.1953 -13.8613 -13.8613 -13.8217 -13.8217 -13.8135 -13.8135 -13.8067 -13.8067 -2.1659 -2.1659 -1.4764 -1.4764 3.9512 3.9512 4.4274 4.4274 4.4789 4.4789 4.5650 4.5650 4.6224 4.6224 5.1800 5.1800 5.3644 5.3644 5.4251 5.4251 5.4255 5.4255 5.5436 5.5436 5.7188 5.7188 7.5627 7.5627 7.8147 7.8147 7.9707 7.9707 8.8364 8.8364 9.1024 9.1024 9.5924 9.5924 9.6159 9.6159 10.0114 10.0114 10.1189 10.1189 10.1231 10.1231 k = 0.0000 0.0000 0.0000 ( 4923 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2172 -14.2172 -14.1953 -14.1953 -13.8613 -13.8613 -13.8217 -13.8217 -13.8134 -13.8134 -13.8066 -13.8066 -2.1671 -2.1671 -1.4771 -1.4771 3.9501 3.9501 4.4275 4.4275 4.4791 4.4791 4.5653 4.5653 4.6228 4.6228 5.1799 5.1799 5.3642 5.3642 5.4252 5.4252 5.4255 5.4255 5.5434 5.5434 5.7188 5.7188 7.5631 7.5631 7.8217 7.8217 7.9785 7.9785 8.8543 8.8543 9.1277 9.1277 9.5910 9.5910 9.6033 9.6033 9.9918 9.9918 10.1075 10.1075 10.1078 10.1078 k = 0.0000 0.0000 0.0000 ( 4923 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2172 -14.2172 -14.1953 -14.1953 -13.8613 -13.8613 -13.8217 -13.8217 -13.8134 -13.8134 -13.8066 -13.8066 -2.1671 -2.1671 -1.4771 -1.4771 3.9501 3.9501 4.4275 4.4275 4.4791 4.4791 4.5653 4.5653 4.6228 4.6228 5.1799 5.1799 5.3642 5.3642 5.4252 5.4252 5.4255 5.4255 5.5434 5.5434 5.7188 5.7188 7.5631 7.5631 7.8217 7.8217 7.9785 7.9785 8.8543 8.8543 9.1277 9.1277 9.5910 9.5910 9.6033 9.6033 9.9918 9.9918 10.1075 10.1075 10.1078 10.1078 k = 0.0000 0.0000 0.0136 ( 4923 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2171 -14.2171 -14.1953 -14.1953 -13.8613 -13.8613 -13.8218 -13.8218 -13.8134 -13.8134 -13.8066 -13.8066 -2.1662 -2.1662 -1.4784 -1.4784 3.9530 3.9530 4.4277 4.4277 4.4795 4.4795 4.5651 4.5651 4.6225 4.6225 5.1796 5.1796 5.3642 5.3642 5.4248 5.4248 5.4257 5.4257 5.5432 5.5432 5.7194 5.7194 7.5540 7.5540 7.8227 7.8227 7.9797 7.9797 8.8504 8.8504 9.1241 9.1241 9.5959 9.5959 9.6039 9.6039 9.9979 9.9979 10.1088 10.1088 10.1091 10.1091 k = 0.0000 0.0000 0.0273 ( 4911 PWs) bands (ev): -32.9352 -32.9352 -32.9321 -32.9321 -14.2170 -14.2170 -14.1954 -14.1954 -13.8611 -13.8611 -13.8219 -13.8219 -13.8134 -13.8134 -13.8067 -13.8067 -2.1636 -2.1636 -1.4823 -1.4823 3.9616 3.9616 4.4284 4.4284 4.4805 4.4805 4.5644 4.5644 4.6217 4.6217 5.1787 5.1787 5.3643 5.3643 5.4239 5.4239 5.4263 5.4263 5.5426 5.5426 5.7211 5.7211 7.5272 7.5272 7.8258 7.8258 7.9831 7.9831 8.8392 8.8392 9.1135 9.1135 9.6055 9.6055 9.6094 9.6094 10.0166 10.0166 10.1127 10.1127 10.1130 10.1130 k = 0.0000 0.0000 0.0409 ( 4905 PWs) bands (ev): -32.9352 -32.9352 -32.9322 -32.9322 -14.2168 -14.2168 -14.1955 -14.1955 -13.8608 -13.8608 -13.8222 -13.8222 -13.8133 -13.8133 -13.8067 -13.8067 -2.1591 -2.1591 -1.4887 -1.4887 3.9758 3.9758 4.4294 4.4294 4.4823 4.4823 4.5633 4.5633 4.6202 4.6202 5.1772 5.1772 5.3643 5.3643 5.4222 5.4222 5.4272 5.4272 5.5416 5.5416 5.7240 5.7240 7.4842 7.4842 7.8309 7.8309 7.9888 7.9888 8.8216 8.8216 9.0964 9.0964 9.6081 9.6081 9.6288 9.6288 10.0485 10.0485 10.1191 10.1191 10.1196 10.1196 k = 0.0000 0.0000 0.0545 ( 4905 PWs) bands (ev): -32.9351 -32.9351 -32.9322 -32.9322 -14.2166 -14.2166 -14.1957 -14.1957 -13.8605 -13.8605 -13.8227 -13.8227 -13.8132 -13.8132 -13.8068 -13.8068 -2.1529 -2.1529 -1.4977 -1.4977 3.9955 3.9955 4.4309 4.4309 4.4847 4.4847 4.5619 4.5619 4.6182 4.6182 5.1748 5.1748 5.3643 5.3643 5.4199 5.4199 5.4283 5.4283 5.5402 5.5402 5.7280 5.7280 7.4271 7.4271 7.8381 7.8381 7.9968 7.9968 8.7986 8.7986 9.0732 9.0732 9.6118 9.6118 9.6503 9.6503 10.0942 10.0942 10.1282 10.1282 10.1287 10.1287 k = 0.0000 0.0000 0.0682 ( 4899 PWs) bands (ev): -32.9351 -32.9351 -32.9322 -32.9322 -14.2162 -14.2162 -14.1959 -14.1959 -13.8600 -13.8600 -13.8233 -13.8233 -13.8131 -13.8131 -13.8069 -13.8069 -2.1450 -2.1450 -1.5090 -1.5090 4.0204 4.0204 4.4328 4.4328 4.4879 4.4879 4.5600 4.5600 4.6157 4.6157 5.1716 5.1716 5.3643 5.3643 5.4170 5.4170 5.4298 5.4298 5.5384 5.5384 5.7333 5.7333 7.3580 7.3580 7.8472 7.8472 8.0070 8.0070 8.7712 8.7712 9.0448 9.0448 9.6165 9.6165 9.6713 9.6713 10.1398 10.1398 10.1406 10.1406 10.1534 10.1534 k = 0.0000 0.0000 0.0818 ( 4899 PWs) bands (ev): -32.9351 -32.9351 -32.9323 -32.9323 -14.2158 -14.2158 -14.1962 -14.1962 -13.8594 -13.8594 -13.8240 -13.8240 -13.8130 -13.8130 -13.8070 -13.8070 -2.1354 -2.1354 -1.5226 -1.5226 4.0503 4.0503 4.4350 4.4350 4.4919 4.4919 4.5577 4.5577 4.6126 4.6126 5.1673 5.1673 5.3643 5.3643 5.4135 5.4135 5.4316 5.4316 5.5363 5.5363 5.7400 5.7400 7.2796 7.2796 7.8584 7.8584 8.0194 8.0194 8.7404 8.7404 9.0118 9.0118 9.6221 9.6221 9.6902 9.6902 10.1540 10.1540 10.1550 10.1550 10.2244 10.2244 k = 0.0000 0.0000 0.0955 ( 4899 PWs) bands (ev): -32.9350 -32.9350 -32.9323 -32.9323 -14.2153 -14.2153 -14.1966 -14.1966 -13.8587 -13.8587 -13.8248 -13.8248 -13.8129 -13.8129 -13.8071 -13.8071 -2.1241 -2.1241 -1.5383 -1.5383 4.0848 4.0848 4.4376 4.4376 4.4967 4.4967 4.5550 4.5550 4.6090 4.6090 5.1619 5.1619 5.3643 5.3643 5.4096 5.4096 5.4337 5.4337 5.5338 5.5338 5.7482 5.7482 7.1940 7.1940 7.8715 7.8715 8.0341 8.0341 8.7069 8.7069 8.9751 8.9751 9.6286 9.6286 9.7064 9.7064 10.1707 10.1707 10.1720 10.1720 10.3052 10.3052 k = 0.0000 0.0000 0.1091 ( 4905 PWs) bands (ev): -32.9349 -32.9349 -32.9324 -32.9324 -14.2148 -14.2148 -14.1971 -14.1971 -13.8579 -13.8579 -13.8258 -13.8258 -13.8128 -13.8128 -13.8072 -13.8072 -2.1112 -2.1112 -1.5560 -1.5560 4.1235 4.1235 4.4406 4.4406 4.5025 4.5025 4.5520 4.5520 4.6049 4.6049 5.1550 5.1550 5.3641 5.3641 5.4053 5.4053 5.4361 5.4361 5.5310 5.5310 5.7580 5.7580 7.1033 7.1033 7.8866 7.8866 8.0509 8.0509 8.6712 8.6712 8.9354 8.9354 9.6359 9.6359 9.7200 9.7200 10.1900 10.1900 10.1916 10.1916 10.3929 10.3929 k = 0.0000 0.0000 0.1227 ( 4917 PWs) bands (ev): -32.9349 -32.9349 -32.9325 -32.9325 -14.2142 -14.2142 -14.1976 -14.1976 -13.8570 -13.8570 -13.8269 -13.8269 -13.8126 -13.8126 -13.8074 -13.8074 -2.0967 -2.0967 -1.5755 -1.5755 4.1658 4.1658 4.4439 4.4439 4.5094 4.5094 4.5486 4.5486 4.6003 4.6003 5.1462 5.1462 5.3640 5.3640 5.4006 5.4006 5.4386 5.4386 5.5278 5.5278 5.7696 5.7696 7.0093 7.0093 7.9035 7.9035 8.0699 8.0699 8.6338 8.6338 8.8934 8.8934 9.6440 9.6440 9.7314 9.7314 10.2118 10.2118 10.2137 10.2137 10.4853 10.4853 k = 0.0000 0.0000 0.1364 ( 4917 PWs) bands (ev): -32.9348 -32.9348 -32.9326 -32.9326 -14.2135 -14.2135 -14.1981 -14.1981 -13.8561 -13.8561 -13.8280 -13.8280 -13.8124 -13.8124 -13.8076 -13.8076 -2.0806 -2.0806 -1.5966 -1.5966 4.2109 4.2109 4.4475 4.4475 4.5179 4.5179 4.5449 4.5449 4.5952 4.5952 5.1355 5.1355 5.3639 5.3639 5.3958 5.3958 5.4416 5.4416 5.5245 5.5245 5.7833 5.7833 6.9136 6.9136 7.9224 7.9224 8.0910 8.0910 8.5952 8.5952 8.8497 8.8497 9.6527 9.6527 9.7407 9.7407 10.2363 10.2363 10.2385 10.2385 10.5799 10.5799 k = 0.0000 0.0000 0.1500 ( 4917 PWs) bands (ev): -32.9347 -32.9347 -32.9327 -32.9327 -14.2129 -14.2129 -14.1986 -14.1986 -13.8551 -13.8551 -13.8292 -13.8292 -13.8122 -13.8122 -13.8078 -13.8078 -2.0632 -2.0632 -1.6191 -1.6191 4.2578 4.2578 4.4515 4.4515 4.5282 4.5282 4.5409 4.5409 4.5897 4.5897 5.1221 5.1221 5.3638 5.3638 5.3910 5.3910 5.4447 5.4447 5.5209 5.5209 5.7992 5.7992 6.8175 6.8175 7.9431 7.9431 8.1141 8.1141 8.5557 8.5557 8.8048 8.8048 9.6620 9.6620 9.7483 9.7483 10.2632 10.2632 10.2659 10.2659 10.6750 10.6750 k = 0.0000 0.0000 0.1636 ( 4911 PWs) bands (ev): -32.9346 -32.9346 -32.9328 -32.9328 -14.2122 -14.2122 -14.1992 -14.1992 -13.8539 -13.8539 -13.8304 -13.8304 -13.8120 -13.8120 -13.8080 -13.8080 -2.0443 -2.0443 -1.6429 -1.6429 4.3052 4.3052 4.4557 4.4557 4.5366 4.5366 4.5414 4.5414 4.5838 4.5838 5.1061 5.1061 5.3636 5.3636 5.3864 5.3864 5.4481 5.4481 5.5171 5.5171 5.8177 5.8177 6.7224 6.7224 7.9657 7.9657 8.1393 8.1393 8.5156 8.5156 8.7593 8.7593 9.6717 9.6717 9.7542 9.7542 10.2927 10.2927 10.2958 10.2958 10.7687 10.7687 k = 0.0000 0.0000 0.1773 ( 4929 PWs) bands (ev): -32.9345 -32.9345 -32.9329 -32.9329 -14.2114 -14.2114 -14.1999 -14.1999 -13.8527 -13.8527 -13.8319 -13.8319 -13.8118 -13.8118 -13.8083 -13.8083 -2.0241 -2.0241 -1.6677 -1.6677 4.3510 4.3510 4.4601 4.4601 4.5321 4.5321 4.5587 4.5587 4.5774 4.5774 5.0867 5.0867 5.3633 5.3633 5.3820 5.3820 5.4517 5.4517 5.5129 5.5129 5.8390 5.8390 6.6294 6.6294 7.9900 7.9900 8.1665 8.1665 8.4753 8.4753 8.7135 8.7135 9.6817 9.6817 9.7585 9.7585 10.3247 10.3247 10.3283 10.3283 10.8587 10.8587 k = 0.0000 0.0000 0.1909 ( 4923 PWs) bands (ev): -32.9344 -32.9344 -32.9330 -32.9330 -14.2106 -14.2106 -14.2006 -14.2006 -13.8514 -13.8514 -13.8333 -13.8333 -13.8116 -13.8116 -13.8085 -13.8085 -2.0028 -2.0028 -1.6934 -1.6934 4.3929 4.3929 4.4648 4.4648 4.5274 4.5274 4.5706 4.5706 4.5819 4.5819 5.0638 5.0638 5.3631 5.3631 5.3780 5.3780 5.4556 5.4556 5.5087 5.5087 5.8635 5.8635 6.5393 6.5393 8.0160 8.0160 8.1956 8.1956 8.4350 8.4350 8.6677 8.6677 9.6918 9.6918 9.7612 9.7612 10.3593 10.3593 10.3634 10.3634 10.9280 10.9280 k = 0.0000 0.0000 0.2045 ( 4935 PWs) bands (ev): -32.9343 -32.9343 -32.9331 -32.9331 -14.2097 -14.2097 -14.2014 -14.2014 -13.8500 -13.8500 -13.8348 -13.8348 -13.8113 -13.8113 -13.8087 -13.8087 -1.9802 -1.9802 -1.7197 -1.7197 4.4282 4.4282 4.4697 4.4697 4.5224 4.5224 4.5634 4.5634 4.6127 4.6127 5.0368 5.0368 5.3629 5.3629 5.3745 5.3745 5.4596 5.4596 5.5043 5.5043 5.8915 5.8915 6.4532 6.4532 8.0437 8.0437 8.2266 8.2266 8.3949 8.3949 8.6222 8.6222 9.7018 9.7018 9.7623 9.7623 10.3964 10.3964 10.4010 10.4010 10.8952 10.8952 k = 0.0000 0.0000 0.2182 ( 4936 PWs) bands (ev): -32.9342 -32.9342 -32.9332 -32.9332 -14.2089 -14.2089 -14.2021 -14.2021 -13.8486 -13.8486 -13.8364 -13.8364 -13.8111 -13.8111 -13.8090 -13.8090 -1.9567 -1.9567 -1.7464 -1.7464 4.4561 4.4561 4.4747 4.4747 4.5173 4.5173 4.5557 4.5557 4.6515 4.6515 5.0058 5.0058 5.3628 5.3628 5.3714 5.3714 5.4637 5.4637 5.4999 5.4999 5.9236 5.9236 6.3716 6.3716 8.0730 8.0730 8.2595 8.2595 8.3553 8.3553 8.5774 8.5774 9.7117 9.7117 9.7618 9.7618 10.4359 10.4359 10.4412 10.4412 10.8376 10.8376 k = 0.0000 0.0000 0.2318 ( 4936 PWs) bands (ev): -32.9341 -32.9341 -32.9333 -32.9333 -14.2080 -14.2080 -14.2029 -14.2029 -13.8472 -13.8472 -13.8379 -13.8379 -13.8108 -13.8108 -13.8092 -13.8092 -1.9322 -1.9322 -1.7735 -1.7735 4.4774 4.4774 4.4799 4.4799 4.5121 4.5121 4.5476 4.5476 4.6963 4.6963 4.9707 4.9707 5.3629 5.3629 5.3690 5.3690 5.4680 5.4680 5.4953 5.4953 5.9602 5.9602 6.2953 6.2953 8.1038 8.1038 8.2940 8.2940 8.3163 8.3163 8.5333 8.5333 9.7212 9.7212 9.7598 9.7598 10.4779 10.4779 10.4838 10.4838 10.7800 10.7800 k = 0.0000 0.0000 0.2455 ( 4930 PWs) bands (ev): -32.9339 -32.9339 -32.9334 -32.9334 -14.2072 -14.2072 -14.2037 -14.2037 -13.8457 -13.8457 -13.8394 -13.8394 -13.8106 -13.8106 -13.8095 -13.8095 -1.9070 -1.9070 -1.8006 -1.8006 4.4852 4.4852 4.4940 4.4940 4.5068 4.5068 4.5389 4.5389 4.7446 4.7446 4.9314 4.9314 5.3631 5.3631 5.3670 5.3670 5.4725 5.4725 5.4907 5.4907 6.0018 6.0018 6.2248 6.2248 8.1361 8.1361 8.2782 8.2782 8.3303 8.3303 8.4902 8.4902 9.7301 9.7301 9.7563 9.7563 10.5224 10.5224 10.5290 10.5290 10.7241 10.7241 k = 0.0000 0.0000 0.2591 ( 4948 PWs) bands (ev): -32.9338 -32.9338 -32.9335 -32.9335 -14.2063 -14.2063 -14.2046 -14.2046 -13.8442 -13.8442 -13.8410 -13.8410 -13.8104 -13.8104 -13.8098 -13.8098 -1.8810 -1.8810 -1.8277 -1.8277 4.4905 4.4905 4.5013 4.5013 4.5075 4.5075 4.5294 4.5294 4.7939 4.7939 4.8884 4.8884 5.3636 5.3636 5.3655 5.3655 5.4770 5.4770 5.4861 5.4861 6.0488 6.0488 6.1601 6.1601 8.1697 8.1697 8.2409 8.2409 8.3681 8.3681 8.4482 8.4482 9.7382 9.7382 9.7515 9.7515 10.5693 10.5693 10.5765 10.5765 10.6702 10.6702 k = 0.0000 0.0000 0.2727 ( 4918 PWs) bands (ev): -32.9338 -32.9338 -32.9336 -32.9336 -14.2055 -14.2055 -14.2053 -14.2053 -13.8426 -13.8426 -13.8424 -13.8424 -13.8101 -13.8101 -13.8100 -13.8100 -1.8546 -1.8546 -1.8546 -1.8546 4.4959 4.4959 4.4960 4.4960 4.5192 4.5192 4.5192 4.5192 4.8422 4.8422 4.8423 4.8423 5.3645 5.3645 5.3645 5.3645 5.4817 5.4817 5.4817 5.4817 6.1015 6.1015 6.1015 6.1015 8.2047 8.2047 8.2047 8.2047 8.4074 8.4074 8.4074 8.4074 9.7454 9.7454 9.7454 9.7454 10.6186 10.6186 10.6187 10.6188 10.6267 10.6267 k = 0.0000 0.0000 0.2727 ( 4918 PWs) bands (ev): -32.9338 -32.9338 -32.9336 -32.9336 -14.2055 -14.2055 -14.2053 -14.2053 -13.8426 -13.8426 -13.8424 -13.8424 -13.8101 -13.8101 -13.8100 -13.8100 -1.8546 -1.8546 -1.8546 -1.8546 4.4959 4.4959 4.4960 4.4960 4.5192 4.5192 4.5192 4.5192 4.8422 4.8422 4.8423 4.8423 5.3645 5.3645 5.3645 5.3645 5.4817 5.4817 5.4817 5.4817 6.1015 6.1015 6.1015 6.1015 8.2047 8.2047 8.2047 8.2047 8.4074 8.4074 8.4074 8.4074 9.7454 9.7454 9.7454 9.7454 10.6186 10.6186 10.6187 10.6187 10.6267 10.6267 k = 0.0122 0.0070 0.2727 ( 4912 PWs) bands (ev): -32.9338 -32.9338 -32.9336 -32.9336 -14.2055 -14.2055 -14.2053 -14.2053 -13.8426 -13.8426 -13.8424 -13.8424 -13.8102 -13.8102 -13.8100 -13.8100 -1.8535 -1.8535 -1.8535 -1.8535 4.4953 4.4953 4.4953 4.4953 4.5189 4.5189 4.5189 4.5189 4.8426 4.8426 4.8427 4.8427 5.3646 5.3646 5.3646 5.3646 5.4818 5.4818 5.4819 5.4819 6.1023 6.1023 6.1023 6.1023 8.1957 8.1957 8.1958 8.1958 8.3970 8.3970 8.3970 8.3970 9.7593 9.7593 9.7593 9.7593 10.6167 10.6167 10.6168 10.6168 10.6267 10.6267 k = 0.0244 0.0141 0.2727 ( 4912 PWs) bands (ev): -32.9337 -32.9337 -32.9336 -32.9336 -14.2055 -14.2055 -14.2053 -14.2053 -13.8426 -13.8426 -13.8425 -13.8425 -13.8102 -13.8102 -13.8101 -13.8101 -1.8504 -1.8504 -1.8504 -1.8504 4.4929 4.4929 4.4929 4.4929 4.5185 4.5185 4.5185 4.5185 4.8437 4.8437 4.8438 4.8438 5.3649 5.3649 5.3649 5.3649 5.4825 5.4825 5.4825 5.4825 6.1048 6.1048 6.1048 6.1048 8.1676 8.1676 8.1677 8.1677 8.3688 8.3688 8.3689 8.3689 9.7985 9.7985 9.7985 9.7985 10.6070 10.6070 10.6071 10.6071 10.6316 10.6316 k = 0.0366 0.0211 0.2727 ( 4908 PWs) bands (ev): -32.9337 -32.9337 -32.9335 -32.9335 -14.2056 -14.2056 -14.2054 -14.2054 -13.8427 -13.8427 -13.8425 -13.8425 -13.8104 -13.8104 -13.8102 -13.8102 -1.8453 -1.8453 -1.8452 -1.8452 4.4877 4.4877 4.4877 4.4877 4.5189 4.5189 4.5189 4.5189 4.8455 4.8455 4.8456 4.8456 5.3655 5.3655 5.3655 5.3655 5.4835 5.4835 5.4835 5.4835 6.1089 6.1089 6.1089 6.1089 8.1180 8.1180 8.1180 8.1180 8.3306 8.3306 8.3307 8.3307 9.8569 9.8569 9.8569 9.8569 10.5917 10.5917 10.5918 10.5918 10.6415 10.6415 k = 0.0488 0.0282 0.2727 ( 4912 PWs) bands (ev): -32.9337 -32.9337 -32.9335 -32.9335 -14.2057 -14.2057 -14.2055 -14.2055 -13.8427 -13.8427 -13.8425 -13.8425 -13.8106 -13.8106 -13.8105 -13.8105 -1.8380 -1.8380 -1.8380 -1.8380 4.4793 4.4793 4.4793 4.4793 4.5208 4.5208 4.5208 4.5208 4.8479 4.8479 4.8479 4.8479 5.3662 5.3662 5.3662 5.3662 5.4849 5.4849 5.4849 5.4849 6.1146 6.1146 6.1146 6.1146 8.0466 8.0466 8.0466 8.0466 8.2890 8.2890 8.2890 8.2890 9.9260 9.9260 9.9261 9.9261 10.5752 10.5752 10.5753 10.5753 10.6554 10.6555 k = 0.0610 0.0352 0.2727 ( 4916 PWs) bands (ev): -32.9337 -32.9337 -32.9335 -32.9335 -14.2058 -14.2058 -14.2057 -14.2057 -13.8428 -13.8428 -13.8426 -13.8426 -13.8110 -13.8110 -13.8108 -13.8108 -1.8288 -1.8288 -1.8287 -1.8287 4.4677 4.4677 4.4677 4.4677 4.5241 4.5241 4.5241 4.5241 4.8507 4.8507 4.8508 4.8508 5.3671 5.3671 5.3672 5.3672 5.4868 5.4868 5.4868 5.4868 6.1219 6.1219 6.1219 6.1219 7.9568 7.9568 7.9569 7.9569 8.2462 8.2462 8.2463 8.2463 9.9962 9.9962 9.9963 9.9963 10.5636 10.5636 10.5636 10.5636 10.6729 10.6729 k = 0.0732 0.0422 0.2727 ( 4924 PWs) bands (ev): -32.9337 -32.9337 -32.9335 -32.9335 -14.2060 -14.2060 -14.2058 -14.2058 -13.8428 -13.8428 -13.8427 -13.8427 -13.8113 -13.8113 -13.8112 -13.8112 -1.8175 -1.8175 -1.8175 -1.8175 4.4531 4.4531 4.4531 4.4531 4.5287 4.5287 4.5287 4.5287 4.8539 4.8539 4.8540 4.8540 5.3682 5.3682 5.3682 5.3682 5.4891 5.4891 5.4891 5.4891 6.1308 6.1308 6.1308 6.1308 7.8540 7.8540 7.8540 7.8540 8.2020 8.2020 8.2020 8.2020 10.0562 10.0562 10.0563 10.0563 10.5649 10.5649 10.5649 10.5649 10.6936 10.6936 k = 0.0854 0.0493 0.2727 ( 4918 PWs) bands (ev): -32.9336 -32.9336 -32.9335 -32.9335 -14.2062 -14.2062 -14.2060 -14.2060 -13.8429 -13.8429 -13.8427 -13.8427 -13.8118 -13.8118 -13.8116 -13.8116 -1.8042 -1.8042 -1.8042 -1.8042 4.4358 4.4358 4.4358 4.4358 4.5345 4.5345 4.5345 4.5345 4.8574 4.8574 4.8575 4.8575 5.3695 5.3695 5.3695 5.3695 5.4917 5.4917 5.4917 5.4917 6.1413 6.1413 6.1413 6.1413 7.7427 7.7427 7.7427 7.7427 8.1554 8.1554 8.1554 8.1554 10.0947 10.0947 10.0947 10.0947 10.5881 10.5881 10.5881 10.5881 10.7173 10.7173 k = 0.0976 0.0563 0.2727 ( 4918 PWs) bands (ev): -32.9336 -32.9336 -32.9334 -32.9334 -14.2064 -14.2064 -14.2062 -14.2062 -13.8430 -13.8430 -13.8428 -13.8428 -13.8122 -13.8122 -13.8120 -13.8120 -1.7890 -1.7890 -1.7890 -1.7890 4.4159 4.4159 4.4159 4.4159 4.5414 4.5414 4.5414 4.5414 4.8611 4.8611 4.8611 4.8611 5.3707 5.3707 5.3707 5.3707 5.4947 5.4947 5.4947 5.4947 6.1532 6.1532 6.1532 6.1532 7.6264 7.6264 7.6264 7.6264 8.1060 8.1060 8.1060 8.1060 10.1059 10.1059 10.1059 10.1059 10.6368 10.6368 10.6369 10.6369 10.7437 10.7437 k = 0.1098 0.0634 0.2727 ( 4922 PWs) bands (ev): -32.9336 -32.9336 -32.9334 -32.9334 -14.2066 -14.2066 -14.2064 -14.2064 -13.8431 -13.8431 -13.8429 -13.8429 -13.8128 -13.8128 -13.8126 -13.8126 -1.7719 -1.7719 -1.7719 -1.7719 4.3935 4.3935 4.3935 4.3935 4.5493 4.5493 4.5493 4.5493 4.8648 4.8648 4.8649 4.8649 5.3720 5.3720 5.3720 5.3720 5.4980 5.4980 5.4980 5.4980 6.1666 6.1666 6.1666 6.1666 7.5076 7.5076 7.5077 7.5077 8.0537 8.0537 8.0537 8.0537 10.0930 10.0930 10.0930 10.0930 10.7058 10.7058 10.7059 10.7059 10.7726 10.7727 k = 0.1220 0.0704 0.2727 ( 4918 PWs) bands (ev): -32.9335 -32.9335 -32.9333 -32.9333 -14.2068 -14.2068 -14.2067 -14.2067 -13.8432 -13.8432 -13.8430 -13.8430 -13.8133 -13.8133 -13.8132 -13.8132 -1.7529 -1.7529 -1.7529 -1.7529 4.3688 4.3688 4.3688 4.3688 4.5582 4.5582 4.5582 4.5582 4.8686 4.8686 4.8687 4.8687 5.3733 5.3733 5.3733 5.3733 5.5016 5.5016 5.5016 5.5016 6.1811 6.1811 6.1811 6.1811 7.3884 7.3884 7.3884 7.3884 7.9987 7.9987 7.9988 7.9988 10.0634 10.0634 10.0635 10.0635 10.7830 10.7830 10.7831 10.7831 10.8067 10.8067 k = 0.1341 0.0774 0.2727 ( 4932 PWs) bands (ev): -32.9335 -32.9335 -32.9333 -32.9333 -14.2071 -14.2071 -14.2070 -14.2070 -13.8433 -13.8433 -13.8431 -13.8431 -13.8140 -13.8140 -13.8138 -13.8138 -1.7322 -1.7322 -1.7321 -1.7321 4.3417 4.3417 4.3417 4.3417 4.5679 4.5679 4.5679 4.5679 4.8723 4.8723 4.8724 4.8724 5.3746 5.3746 5.3746 5.3746 5.5054 5.5054 5.5054 5.5054 6.1966 6.1966 6.1966 6.1966 7.2701 7.2701 7.2701 7.2701 7.9414 7.9414 7.9414 7.9414 10.0234 10.0234 10.0234 10.0234 10.8315 10.8315 10.8315 10.8315 10.8732 10.8733 k = 0.1463 0.0845 0.2727 ( 4932 PWs) bands (ev): -32.9334 -32.9334 -32.9332 -32.9332 -14.2074 -14.2074 -14.2073 -14.2073 -13.8435 -13.8435 -13.8433 -13.8433 -13.8146 -13.8146 -13.8145 -13.8145 -1.7096 -1.7096 -1.7096 -1.7096 4.3123 4.3123 4.3123 4.3123 4.5786 4.5786 4.5786 4.5786 4.8759 4.8759 4.8760 4.8760 5.3758 5.3758 5.3758 5.3758 5.5094 5.5094 5.5094 5.5094 6.2127 6.2127 6.2127 6.2127 7.1543 7.1543 7.1543 7.1543 7.8820 7.8820 7.8820 7.8820 9.9768 9.9768 9.9769 9.9769 10.8666 10.8666 10.8666 10.8666 10.9478 10.9478 k = 0.1585 0.0915 0.2727 ( 4932 PWs) bands (ev): -32.9334 -32.9334 -32.9332 -32.9332 -14.2078 -14.2078 -14.2076 -14.2076 -13.8436 -13.8436 -13.8434 -13.8434 -13.8153 -13.8153 -13.8151 -13.8151 -1.6855 -1.6855 -1.6854 -1.6854 4.2806 4.2806 4.2806 4.2806 4.5902 4.5902 4.5902 4.5902 4.8794 4.8794 4.8794 4.8794 5.3770 5.3770 5.3770 5.3770 5.5136 5.5136 5.5136 5.5136 6.2287 6.2287 6.2287 6.2287 7.0423 7.0423 7.0424 7.0424 7.8209 7.8209 7.8210 7.8210 9.9261 9.9261 9.9262 9.9262 10.9022 10.9022 10.9022 10.9022 11.0048 11.0048 k = 0.1707 0.0986 0.2727 ( 4940 PWs) bands (ev): -32.9333 -32.9333 -32.9331 -32.9331 -14.2081 -14.2081 -14.2079 -14.2079 -13.8438 -13.8438 -13.8436 -13.8436 -13.8161 -13.8161 -13.8159 -13.8159 -1.6597 -1.6597 -1.6596 -1.6596 4.2466 4.2466 4.2466 4.2466 4.6026 4.6026 4.6026 4.6026 4.8827 4.8827 4.8827 4.8827 5.3781 5.3781 5.3781 5.3781 5.5178 5.5178 5.5178 5.5178 6.2434 6.2434 6.2434 6.2434 6.9361 6.9361 6.9361 6.9361 7.7586 7.7586 7.7586 7.7586 9.8728 9.8728 9.8729 9.8729 10.9388 10.9388 10.9388 10.9388 11.0318 11.0318 k = 0.1829 0.1056 0.2727 ( 4946 PWs) bands (ev): -32.9332 -32.9332 -32.9331 -32.9331 -14.2085 -14.2085 -14.2083 -14.2083 -13.8439 -13.8439 -13.8438 -13.8438 -13.8168 -13.8168 -13.8166 -13.8166 -1.6324 -1.6324 -1.6323 -1.6323 4.2104 4.2104 4.2104 4.2104 4.6158 4.6158 4.6158 4.6158 4.8858 4.8858 4.8858 4.8858 5.3791 5.3791 5.3791 5.3791 5.5220 5.5220 5.5220 5.5220 6.2550 6.2550 6.2551 6.2551 6.8380 6.8380 6.8380 6.8380 7.6953 7.6953 7.6953 7.6953 9.8179 9.8179 9.8179 9.8179 10.9760 10.9760 10.9760 10.9760 11.0282 11.0282 k = 0.1951 0.1127 0.2727 ( 4950 PWs) bands (ev): -32.9332 -32.9332 -32.9330 -32.9330 -14.2088 -14.2088 -14.2086 -14.2086 -13.8441 -13.8441 -13.8440 -13.8440 -13.8176 -13.8176 -13.8174 -13.8174 -1.6037 -1.6037 -1.6036 -1.6036 4.1719 4.1719 4.1719 4.1719 4.6298 4.6298 4.6298 4.6298 4.8886 4.8886 4.8887 4.8887 5.3801 5.3801 5.3801 5.3801 5.5262 5.5262 5.5262 5.5262 6.2603 6.2603 6.2603 6.2603 6.7517 6.7517 6.7518 6.7518 7.6314 7.6314 7.6314 7.6314 9.7620 9.7620 9.7620 9.7620 10.9972 10.9972 10.9973 10.9973 11.0214 11.0214 k = 0.2073 0.1197 0.2727 ( 4938 PWs) bands (ev): -32.9331 -32.9331 -32.9329 -32.9329 -14.2092 -14.2092 -14.2090 -14.2090 -13.8443 -13.8443 -13.8441 -13.8441 -13.8183 -13.8183 -13.8181 -13.8181 -1.5736 -1.5736 -1.5736 -1.5736 4.1312 4.1312 4.1312 4.1312 4.6446 4.6446 4.6446 4.6446 4.8914 4.8914 4.8914 4.8914 5.3809 5.3809 5.3809 5.3809 5.5303 5.5303 5.5303 5.5303 6.2543 6.2543 6.2543 6.2543 6.6826 6.6826 6.6827 6.6827 7.5672 7.5672 7.5672 7.5672 9.7057 9.7057 9.7057 9.7057 10.9654 10.9654 10.9654 10.9654 11.0582 11.0582 k = 0.2195 0.1267 0.2727 ( 4936 PWs) bands (ev): -32.9330 -32.9330 -32.9329 -32.9329 -14.2096 -14.2096 -14.2094 -14.2094 -13.8445 -13.8445 -13.8444 -13.8444 -13.8191 -13.8191 -13.8189 -13.8189 -1.5424 -1.5424 -1.5424 -1.5424 4.0883 4.0883 4.0883 4.0883 4.6600 4.6600 4.6600 4.6600 4.8938 4.8938 4.8939 4.8939 5.3816 5.3816 5.3816 5.3816 5.5343 5.5343 5.5343 5.5343 6.2315 6.2315 6.2315 6.2315 6.6364 6.6364 6.6364 6.6364 7.5031 7.5031 7.5031 7.5031 9.6494 9.6494 9.6494 9.6494 10.9252 10.9252 10.9252 10.9252 11.0992 11.0992 k = 0.2317 0.1338 0.2727 ( 4936 PWs) bands (ev): -32.9330 -32.9330 -32.9328 -32.9328 -14.2099 -14.2099 -14.2098 -14.2098 -13.8448 -13.8448 -13.8446 -13.8446 -13.8198 -13.8198 -13.8196 -13.8196 -1.5101 -1.5101 -1.5100 -1.5100 4.0432 4.0432 4.0432 4.0432 4.6761 4.6761 4.6761 4.6761 4.8961 4.8961 4.8961 4.8961 5.3822 5.3822 5.3823 5.3823 5.5380 5.5380 5.5381 5.5381 6.1901 6.1901 6.1901 6.1901 6.6151 6.6151 6.6151 6.6151 7.4393 7.4393 7.4393 7.4393 9.5934 9.5934 9.5935 9.5935 10.8819 10.8819 10.8819 10.8819 11.1415 11.1415 k = 0.2439 0.1408 0.2727 ( 4932 PWs) bands (ev): -32.9329 -32.9329 -32.9327 -32.9327 -14.2103 -14.2103 -14.2101 -14.2101 -13.8450 -13.8450 -13.8448 -13.8448 -13.8206 -13.8206 -13.8204 -13.8204 -1.4768 -1.4768 -1.4768 -1.4768 3.9961 3.9961 3.9962 3.9962 4.6928 4.6928 4.6928 4.6928 4.8981 4.8981 4.8981 4.8981 5.3828 5.3828 5.3828 5.3828 5.5415 5.5415 5.5416 5.5416 6.1344 6.1344 6.1344 6.1344 6.6146 6.6146 6.6147 6.6147 7.3761 7.3761 7.3761 7.3761 9.5382 9.5382 9.5382 9.5382 10.8370 10.8370 10.8371 10.8371 11.1849 11.1849 k = 0.2561 0.1479 0.2727 ( 4938 PWs) bands (ev): -32.9328 -32.9328 -32.9326 -32.9326 -14.2107 -14.2107 -14.2106 -14.2106 -13.8453 -13.8453 -13.8451 -13.8451 -13.8213 -13.8213 -13.8211 -13.8211 -1.4428 -1.4428 -1.4428 -1.4428 3.9472 3.9472 3.9472 3.9472 4.7099 4.7099 4.7099 4.7099 4.8999 4.8999 4.9000 4.9000 5.3832 5.3832 5.3832 5.3832 5.5447 5.5447 5.5447 5.5447 6.0709 6.0709 6.0709 6.0709 6.6285 6.6285 6.6285 6.6285 7.3139 7.3139 7.3139 7.3139 9.4838 9.4838 9.4839 9.4839 10.7911 10.7911 10.7912 10.7912 11.2292 11.2292 k = 0.2683 0.1549 0.2727 ( 4932 PWs) bands (ev): -32.9328 -32.9328 -32.9326 -32.9326 -14.2111 -14.2111 -14.2110 -14.2110 -13.8455 -13.8455 -13.8454 -13.8454 -13.8220 -13.8220 -13.8218 -13.8218 -1.4081 -1.4081 -1.4081 -1.4081 3.8966 3.8966 3.8967 3.8967 4.7275 4.7275 4.7275 4.7275 4.9016 4.9016 4.9016 4.9016 5.3836 5.3836 5.3836 5.3836 5.5474 5.5474 5.5474 5.5474 6.0050 6.0050 6.0050 6.0050 6.6513 6.6513 6.6513 6.6513 7.2530 7.2530 7.2530 7.2530 9.4306 9.4306 9.4307 9.4307 10.7446 10.7446 10.7447 10.7447 11.2745 11.2745 k = 0.2805 0.1619 0.2727 ( 4924 PWs) bands (ev): -32.9327 -32.9327 -32.9325 -32.9325 -14.2115 -14.2115 -14.2113 -14.2113 -13.8458 -13.8458 -13.8456 -13.8456 -13.8227 -13.8227 -13.8225 -13.8225 -1.3730 -1.3730 -1.3730 -1.3730 3.8447 3.8447 3.8447 3.8447 4.7454 4.7454 4.7454 4.7454 4.9032 4.9032 4.9032 4.9032 5.3838 5.3838 5.3838 5.3838 5.5495 5.5495 5.5496 5.5496 5.9399 5.9399 5.9399 5.9399 6.6795 6.6795 6.6795 6.6795 7.1939 7.1939 7.1939 7.1939 9.3788 9.3788 9.3789 9.3789 10.6976 10.6976 10.6977 10.6977 11.3206 11.3206 k = 0.2927 0.1690 0.2727 ( 4924 PWs) bands (ev): -32.9326 -32.9326 -32.9324 -32.9324 -14.2119 -14.2119 -14.2117 -14.2117 -13.8461 -13.8461 -13.8459 -13.8459 -13.8233 -13.8233 -13.8231 -13.8231 -1.3376 -1.3376 -1.3376 -1.3376 3.7915 3.7915 3.7916 3.7916 4.7635 4.7635 4.7635 4.7635 4.9046 4.9046 4.9046 4.9046 5.3840 5.3840 5.3840 5.3840 5.5510 5.5510 5.5510 5.5510 5.8778 5.8778 5.8778 5.8778 6.7107 6.7107 6.7107 6.7107 7.1372 7.1372 7.1373 7.1373 9.3285 9.3285 9.3286 9.3286 10.6503 10.6503 10.6503 10.6503 11.3675 11.3676 k = 0.3049 0.1760 0.2727 ( 4920 PWs) bands (ev): -32.9325 -32.9325 -32.9324 -32.9324 -14.2123 -14.2123 -14.2121 -14.2121 -13.8464 -13.8464 -13.8462 -13.8462 -13.8239 -13.8239 -13.8238 -13.8238 -1.3021 -1.3021 -1.3021 -1.3021 3.7377 3.7377 3.7377 3.7377 4.7816 4.7816 4.7816 4.7816 4.9061 4.9061 4.9061 4.9061 5.3840 5.3840 5.3840 5.3840 5.5514 5.5514 5.5514 5.5514 5.8199 5.8199 5.8199 5.8199 6.7428 6.7428 6.7428 6.7428 7.0840 7.0840 7.0840 7.0840 9.2799 9.2799 9.2800 9.2800 10.6028 10.6028 10.6028 10.6028 11.4151 11.4151 k = 0.3171 0.1831 0.2727 ( 4924 PWs) bands (ev): -32.9325 -32.9325 -32.9323 -32.9323 -14.2127 -14.2127 -14.2125 -14.2125 -13.8467 -13.8467 -13.8466 -13.8466 -13.8245 -13.8245 -13.8244 -13.8244 -1.2668 -1.2668 -1.2668 -1.2668 3.6834 3.6834 3.6835 3.6835 4.7994 4.7994 4.7994 4.7994 4.9076 4.9076 4.9076 4.9076 5.3838 5.3838 5.3838 5.3838 5.5503 5.5503 5.5503 5.5503 5.7673 5.7673 5.7673 5.7673 6.7730 6.7730 6.7730 6.7730 7.0363 7.0363 7.0363 7.0363 9.2332 9.2332 9.2333 9.2333 10.5552 10.5552 10.5553 10.5553 11.4633 11.4634 k = 0.3293 0.1901 0.2727 ( 4924 PWs) bands (ev): -32.9324 -32.9324 -32.9322 -32.9322 -14.2131 -14.2131 -14.2129 -14.2129 -13.8471 -13.8471 -13.8469 -13.8469 -13.8251 -13.8251 -13.8249 -13.8249 -1.2320 -1.2320 -1.2319 -1.2319 3.6293 3.6293 3.6293 3.6293 4.8169 4.8169 4.8169 4.8169 4.9094 4.9094 4.9094 4.9094 5.3835 5.3835 5.3835 5.3835 5.5470 5.5470 5.5470 5.5470 5.7211 5.7211 5.7211 5.7211 6.7962 6.7962 6.7962 6.7962 6.9987 6.9987 6.9987 6.9987 9.1883 9.1883 9.1884 9.1884 10.5079 10.5079 10.5079 10.5079 11.5122 11.5122 k = 0.3415 0.1971 0.2727 ( 4930 PWs) bands (ev): -32.9324 -32.9324 -32.9322 -32.9322 -14.2134 -14.2134 -14.2133 -14.2133 -13.8474 -13.8474 -13.8472 -13.8472 -13.8256 -13.8256 -13.8254 -13.8254 -1.1977 -1.1977 -1.1977 -1.1977 3.5757 3.5757 3.5757 3.5757 4.8335 4.8335 4.8335 4.8335 4.9117 4.9117 4.9118 4.9118 5.3830 5.3830 5.3830 5.3830 5.5402 5.5402 5.5402 5.5402 5.6827 5.6827 5.6827 5.6827 6.8037 6.8037 6.8037 6.8037 6.9797 6.9797 6.9798 6.9798 9.1456 9.1456 9.1457 9.1457 10.4610 10.4610 10.4610 10.4610 11.5615 11.5615 k = 0.3537 0.2042 0.2727 ( 4928 PWs) bands (ev): -32.9323 -32.9323 -32.9321 -32.9321 -14.2138 -14.2138 -14.2136 -14.2136 -13.8477 -13.8477 -13.8475 -13.8475 -13.8261 -13.8261 -13.8259 -13.8259 -1.1644 -1.1644 -1.1644 -1.1644 3.5232 3.5232 3.5233 3.5233 4.8487 4.8487 4.8487 4.8487 4.9150 4.9150 4.9150 4.9150 5.3821 5.3821 5.3821 5.3821 5.5287 5.5287 5.5287 5.5287 5.6536 5.6536 5.6536 5.6536 6.7893 6.7893 6.7893 6.7893 6.9852 6.9852 6.9852 6.9852 9.1051 9.1051 9.1052 9.1052 10.4149 10.4149 10.4149 10.4149 11.6110 11.6111 k = 0.3659 0.2112 0.2727 ( 4940 PWs) bands (ev): -32.9323 -32.9323 -32.9321 -32.9321 -14.2141 -14.2141 -14.2139 -14.2139 -13.8481 -13.8481 -13.8479 -13.8479 -13.8265 -13.8265 -13.8263 -13.8263 -1.1322 -1.1322 -1.1322 -1.1322 3.4723 3.4723 3.4724 3.4724 4.8617 4.8617 4.8617 4.8617 4.9198 4.9198 4.9198 4.9198 5.3809 5.3809 5.3809 5.3809 5.5122 5.5122 5.5122 5.5122 5.6340 5.6340 5.6340 5.6340 6.7597 6.7597 6.7597 6.7597 7.0080 7.0080 7.0080 7.0080 9.0669 9.0669 9.0670 9.0670 10.3700 10.3700 10.3700 10.3700 11.6608 11.6609 k = 0.3780 0.2183 0.2727 ( 4940 PWs) bands (ev): -32.9322 -32.9322 -32.9320 -32.9320 -14.2144 -14.2144 -14.2143 -14.2143 -13.8484 -13.8484 -13.8482 -13.8482 -13.8269 -13.8269 -13.8267 -13.8267 -1.1015 -1.1015 -1.1015 -1.1015 3.4236 3.4236 3.4236 3.4236 4.8718 4.8718 4.8718 4.8718 4.9267 4.9267 4.9267 4.9267 5.3791 5.3791 5.3791 5.3791 5.4926 5.4926 5.4926 5.4926 5.6222 5.6222 5.6222 5.6222 6.7243 6.7243 6.7243 6.7243 7.0386 7.0386 7.0386 7.0386 9.0311 9.0311 9.0312 9.0312 10.3266 10.3266 10.3266 10.3266 11.7107 11.7107 k = 0.3902 0.2253 0.2727 ( 4940 PWs) bands (ev): -32.9322 -32.9322 -32.9320 -32.9320 -14.2147 -14.2147 -14.2145 -14.2145 -13.8487 -13.8487 -13.8485 -13.8485 -13.8272 -13.8272 -13.8270 -13.8270 -1.0726 -1.0726 -1.0726 -1.0726 3.3775 3.3775 3.3775 3.3775 4.8789 4.8789 4.8789 4.8789 4.9358 4.9358 4.9358 4.9358 5.3765 5.3765 5.3766 5.3766 5.4726 5.4726 5.4726 5.4726 5.6154 5.6154 5.6154 5.6154 6.6879 6.6879 6.6879 6.6879 7.0720 7.0720 7.0720 7.0720 8.9978 8.9978 8.9979 8.9979 10.2853 10.2853 10.2854 10.2854 11.7605 11.7605 k = 0.4024 0.2323 0.2727 ( 4946 PWs) bands (ev): -32.9321 -32.9321 -32.9319 -32.9319 -14.2150 -14.2150 -14.2148 -14.2148 -13.8489 -13.8489 -13.8488 -13.8488 -13.8276 -13.8276 -13.8274 -13.8274 -1.0457 -1.0457 -1.0457 -1.0457 3.3346 3.3346 3.3346 3.3346 4.8834 4.8834 4.8834 4.8834 4.9462 4.9462 4.9462 4.9462 5.3729 5.3729 5.3729 5.3729 5.4546 5.4546 5.4546 5.4546 5.6116 5.6116 5.6116 5.6116 6.6529 6.6529 6.6529 6.6529 7.1054 7.1054 7.1054 7.1054 8.9673 8.9673 8.9674 8.9674 10.2466 10.2466 10.2466 10.2466 11.8100 11.8100 k = 0.4146 0.2394 0.2727 ( 4950 PWs) bands (ev): -32.9321 -32.9321 -32.9319 -32.9319 -14.2152 -14.2152 -14.2151 -14.2151 -13.8492 -13.8492 -13.8490 -13.8490 -13.8278 -13.8278 -13.8277 -13.8277 -1.0211 -1.0211 -1.0211 -1.0211 3.2954 3.2954 3.2954 3.2954 4.8861 4.8861 4.8861 4.8861 4.9570 4.9570 4.9570 4.9570 5.3679 5.3679 5.3679 5.3679 5.4399 5.4399 5.4399 5.4399 5.6094 5.6094 5.6094 5.6094 6.6203 6.6203 6.6204 6.6204 7.1375 7.1375 7.1375 7.1375 8.9397 8.9397 8.9398 8.9398 10.2109 10.2109 10.2109 10.2109 11.8589 11.8590 k = 0.4268 0.2464 0.2727 ( 4942 PWs) bands (ev): -32.9320 -32.9320 -32.9319 -32.9319 -14.2154 -14.2154 -14.2152 -14.2152 -13.8494 -13.8494 -13.8492 -13.8492 -13.8280 -13.8280 -13.8279 -13.8279 -0.9992 -0.9992 -0.9992 -0.9992 3.2604 3.2604 3.2604 3.2604 4.8878 4.8878 4.8878 4.8878 4.9676 4.9676 4.9676 4.9676 5.3618 5.3618 5.3618 5.3618 5.4290 5.4290 5.4290 5.4290 5.6082 5.6082 5.6082 5.6082 6.5910 6.5910 6.5910 6.5910 7.1673 7.1673 7.1673 7.1673 8.9152 8.9152 8.9153 8.9153 10.1788 10.1788 10.1788 10.1788 11.9070 11.9071 k = 0.4390 0.2535 0.2727 ( 4938 PWs) bands (ev): -32.9320 -32.9320 -32.9318 -32.9318 -14.2156 -14.2156 -14.2154 -14.2154 -13.8496 -13.8496 -13.8494 -13.8494 -13.8282 -13.8282 -13.8280 -13.8280 -0.9801 -0.9801 -0.9801 -0.9801 3.2299 3.2299 3.2299 3.2299 4.8888 4.8888 4.8888 4.8888 4.9770 4.9770 4.9770 4.9770 5.3549 5.3549 5.3550 5.3550 5.4215 5.4215 5.4215 5.4215 5.6075 5.6075 5.6075 5.6075 6.5654 6.5654 6.5654 6.5654 7.1940 7.1940 7.1940 7.1940 8.8939 8.8939 8.8940 8.8940 10.1507 10.1507 10.1507 10.1507 11.9537 11.9537 k = 0.4512 0.2605 0.2727 ( 4936 PWs) bands (ev): -32.9320 -32.9320 -32.9318 -32.9318 -14.2157 -14.2157 -14.2156 -14.2156 -13.8498 -13.8498 -13.8496 -13.8496 -13.8284 -13.8284 -13.8282 -13.8282 -0.9641 -0.9641 -0.9641 -0.9641 3.2044 3.2044 3.2044 3.2044 4.8894 4.8894 4.8894 4.8894 4.9851 4.9851 4.9851 4.9851 5.3483 5.3483 5.3483 5.3483 5.4166 5.4166 5.4166 5.4166 5.6072 5.6072 5.6072 5.6072 6.5439 6.5439 6.5439 6.5439 7.2168 7.2168 7.2168 7.2168 8.8761 8.8761 8.8762 8.8762 10.1270 10.1270 10.1270 10.1270 11.9982 11.9982 k = 0.4634 0.2676 0.2727 ( 4940 PWs) bands (ev): -32.9320 -32.9320 -32.9318 -32.9318 -14.2159 -14.2159 -14.2157 -14.2157 -13.8499 -13.8499 -13.8497 -13.8497 -13.8285 -13.8285 -13.8283 -13.8283 -0.9514 -0.9514 -0.9514 -0.9514 3.1843 3.1843 3.1843 3.1843 4.8898 4.8898 4.8898 4.8898 4.9916 4.9916 4.9916 4.9916 5.3425 5.3425 5.3426 5.3426 5.4135 5.4135 5.4135 5.4135 5.6070 5.6070 5.6070 5.6070 6.5268 6.5268 6.5268 6.5268 7.2352 7.2352 7.2352 7.2352 8.8619 8.8619 8.8621 8.8621 10.1082 10.1082 10.1082 10.1082 12.0392 12.0393 k = 0.4756 0.2746 0.2727 ( 4932 PWs) bands (ev): -32.9320 -32.9320 -32.9318 -32.9318 -14.2159 -14.2159 -14.2157 -14.2157 -13.8500 -13.8500 -13.8498 -13.8498 -13.8286 -13.8286 -13.8284 -13.8284 -0.9423 -0.9423 -0.9423 -0.9423 3.1696 3.1696 3.1697 3.1697 4.8900 4.8900 4.8900 4.8900 4.9964 4.9964 4.9964 4.9964 5.3382 5.3382 5.3382 5.3382 5.4117 5.4117 5.4117 5.4117 5.6069 5.6069 5.6069 5.6069 6.5145 6.5145 6.5145 6.5145 7.2487 7.2487 7.2487 7.2487 8.8517 8.8517 8.8518 8.8518 10.0945 10.0945 10.0945 10.0945 12.0745 12.0745 k = 0.4878 0.2816 0.2727 ( 4928 PWs) bands (ev): -32.9319 -32.9319 -32.9318 -32.9318 -14.2160 -14.2160 -14.2158 -14.2158 -13.8501 -13.8501 -13.8499 -13.8499 -13.8286 -13.8286 -13.8284 -13.8284 -0.9367 -0.9367 -0.9367 -0.9367 3.1608 3.1608 3.1608 3.1608 4.8901 4.8901 4.8901 4.8901 4.9993 4.9993 4.9993 4.9993 5.3356 5.3356 5.3356 5.3356 5.4107 5.4107 5.4107 5.4107 5.6069 5.6069 5.6069 5.6069 6.5070 6.5070 6.5070 6.5070 7.2570 7.2570 7.2570 7.2570 8.8455 8.8455 8.8456 8.8456 10.0862 10.0862 10.0862 10.0862 12.0998 12.0999 k = 0.5000 0.2887 0.2727 ( 4936 PWs) bands (ev): -32.9319 -32.9319 -32.9318 -32.9318 -14.2160 -14.2160 -14.2158 -14.2158 -13.8501 -13.8501 -13.8499 -13.8499 -13.8286 -13.8286 -13.8284 -13.8284 -0.9349 -0.9349 -0.9348 -0.9348 3.1578 3.1578 3.1579 3.1579 4.8901 4.8901 4.8901 4.8901 5.0002 5.0002 5.0002 5.0002 5.3346 5.3346 5.3347 5.3347 5.4104 5.4104 5.4104 5.4104 5.6069 5.6069 5.6069 5.6069 6.5045 6.5045 6.5045 6.5045 7.2598 7.2598 7.2598 7.2598 8.8434 8.8434 8.8435 8.8435 10.0834 10.0834 10.0834 10.0834 12.1093 12.1094 k = 0.5000 0.2887 0.2727 ( 4936 PWs) bands (ev): -32.9319 -32.9319 -32.9318 -32.9318 -14.2160 -14.2160 -14.2158 -14.2158 -13.8501 -13.8501 -13.8499 -13.8499 -13.8286 -13.8286 -13.8284 -13.8284 -0.9349 -0.9349 -0.9348 -0.9348 3.1578 3.1578 3.1579 3.1579 4.8901 4.8901 4.8901 4.8901 5.0002 5.0002 5.0002 5.0002 5.3346 5.3346 5.3347 5.3347 5.4104 5.4104 5.4104 5.4104 5.6069 5.6069 5.6069 5.6069 6.5045 6.5045 6.5045 6.5045 7.2598 7.2598 7.2598 7.2598 8.8434 8.8434 8.8435 8.8435 10.0834 10.0834 10.0834 10.0834 12.1093 12.1094 k = 0.4931 0.3007 0.2727 ( 4934 PWs) bands (ev): -32.9319 -32.9319 -32.9318 -32.9318 -14.2160 -14.2160 -14.2158 -14.2158 -13.8501 -13.8501 -13.8499 -13.8499 -13.8287 -13.8287 -13.8285 -13.8285 -0.9344 -0.9344 -0.9343 -0.9343 3.1562 3.1562 3.1616 3.1616 4.8883 4.8883 4.8918 4.8918 4.9991 4.9991 5.0011 5.0011 5.3274 5.3274 5.3408 5.3408 5.4072 5.4072 5.4132 5.4132 5.6054 5.6054 5.6082 5.6082 6.4959 6.4959 6.4991 6.4991 7.2577 7.2577 7.2632 7.2632 8.8447 8.8447 8.8471 8.8471 10.0913 10.0913 10.0917 10.0917 12.1058 12.1061 k = 0.4861 0.3127 0.2727 ( 4942 PWs) bands (ev): -32.9319 -32.9319 -32.9318 -32.9318 -14.2160 -14.2160 -14.2158 -14.2158 -13.8500 -13.8500 -13.8499 -13.8499 -13.8288 -13.8288 -13.8286 -13.8286 -0.9331 -0.9331 -0.9329 -0.9329 3.1565 3.1565 3.1673 3.1673 4.8864 4.8864 4.8934 4.8934 4.9977 4.9977 5.0017 5.0017 5.3189 5.3189 5.3458 5.3458 5.4037 5.4037 5.4157 5.4157 5.6036 5.6036 5.6092 5.6092 6.4742 6.4742 6.4800 6.4800 7.2572 7.2572 7.2678 7.2678 8.8507 8.8507 8.8553 8.8553 10.1152 10.1152 10.1161 10.1161 12.0952 12.0954 k = 0.4792 0.3248 0.2727 ( 4946 PWs) bands (ev): -32.9319 -32.9319 -32.9318 -32.9318 -14.2161 -14.2161 -14.2159 -14.2159 -13.8500 -13.8500 -13.8498 -13.8498 -13.8289 -13.8289 -13.8287 -13.8287 -0.9308 -0.9308 -0.9305 -0.9305 3.1589 3.1589 3.1752 3.1752 4.8844 4.8844 4.8948 4.8948 4.9960 4.9960 5.0021 5.0021 5.3091 5.3091 5.3499 5.3499 5.3999 5.3999 5.4178 5.4178 5.6017 5.6017 5.6102 5.6102 6.4405 6.4405 6.4479 6.4479 7.2583 7.2583 7.2736 7.2736 8.8608 8.8608 8.8673 8.8673 10.1549 10.1549 10.1564 10.1564 12.0775 12.0777 k = 0.4722 0.3368 0.2727 ( 4942 PWs) bands (ev): -32.9319 -32.9319 -32.9318 -32.9318 -14.2161 -14.2161 -14.2159 -14.2159 -13.8499 -13.8499 -13.8497 -13.8497 -13.8291 -13.8291 -13.8289 -13.8289 -0.9276 -0.9276 -0.9273 -0.9273 3.1631 3.1631 3.1851 3.1851 4.8823 4.8823 4.8961 4.8961 4.9942 4.9942 5.0020 5.0020 5.2978 5.2978 5.3529 5.3529 5.3958 5.3958 5.4197 5.4197 5.5995 5.5995 5.6109 5.6109 6.3967 6.3967 6.4043 6.4043 7.2609 7.2609 7.2803 7.2803 8.8741 8.8741 8.8820 8.8820 10.2097 10.2097 10.2119 10.2119 12.0526 12.0531 k = 0.4653 0.3488 0.2727 ( 4930 PWs) bands (ev): -32.9319 -32.9319 -32.9317 -32.9317 -14.2161 -14.2161 -14.2159 -14.2159 -13.8497 -13.8497 -13.8495 -13.8495 -13.8293 -13.8293 -13.8291 -13.8291 -0.9235 -0.9235 -0.9231 -0.9231 3.1692 3.1692 3.1970 3.1970 4.8802 4.8802 4.8973 4.8973 4.9919 4.9919 5.0013 5.0013 5.2849 5.2849 5.3551 5.3551 5.3914 5.3914 5.4212 5.4212 5.5972 5.5972 5.6115 5.6115 6.3448 6.3448 6.3511 6.3511 7.2650 7.2650 7.2879 7.2879 8.8894 8.8894 8.8983 8.8983 10.2788 10.2788 10.2820 10.2820 12.0219 12.0244 k = 0.4583 0.3608 0.2727 ( 4938 PWs) bands (ev): -32.9319 -32.9319 -32.9317 -32.9317 -14.2161 -14.2161 -14.2159 -14.2159 -13.8496 -13.8496 -13.8494 -13.8494 -13.8296 -13.8296 -13.8294 -13.8294 -0.9187 -0.9187 -0.9182 -0.9182 3.1770 3.1770 3.2108 3.2108 4.8780 4.8780 4.8981 4.8981 4.9891 4.9891 4.9998 4.9998 5.2704 5.2704 5.3562 5.3562 5.3868 5.3868 5.4225 5.4225 5.5945 5.5945 5.6119 5.6119 6.2869 6.2869 6.2903 6.2903 7.2704 7.2704 7.2962 7.2962 8.9057 8.9057 8.9152 8.9152 10.3612 10.3612 10.3656 10.3656 11.9876 11.9914 k = 0.4514 0.3729 0.2727 ( 4934 PWs) bands (ev): -32.9319 -32.9319 -32.9317 -32.9317 -14.2162 -14.2162 -14.2160 -14.2160 -13.8494 -13.8494 -13.8492 -13.8492 -13.8300 -13.8300 -13.8298 -13.8298 -0.9130 -0.9130 -0.9125 -0.9125 3.1864 3.1864 3.2266 3.2266 4.8757 4.8757 4.8987 4.8987 4.9857 4.9857 4.9971 4.9971 5.2542 5.2542 5.3563 5.3563 5.3822 5.3822 5.4235 5.4235 5.5917 5.5917 5.6122 5.6122 6.2241 6.2241 6.2255 6.2255 7.2770 7.2770 7.3054 7.3054 8.9222 8.9222 8.9320 8.9320 10.4555 10.4555 10.4612 10.4612 11.9533 11.9570 k = 0.4444 0.3849 0.2727 ( 4930 PWs) bands (ev): -32.9319 -32.9319 -32.9317 -32.9317 -14.2162 -14.2162 -14.2160 -14.2160 -13.8492 -13.8492 -13.8490 -13.8490 -13.8303 -13.8303 -13.8301 -13.8301 -0.9067 -0.9067 -0.9060 -0.9060 3.1974 3.1974 3.2442 3.2442 4.8733 4.8733 4.8987 4.8987 4.9814 4.9814 4.9928 4.9928 5.2365 5.2365 5.3556 5.3556 5.3775 5.3775 5.4243 5.4243 5.5887 5.5887 5.6123 5.6123 6.1546 6.1546 6.1624 6.1624 7.2846 7.2846 7.3153 7.3153 8.9384 8.9384 8.9480 8.9480 10.5603 10.5603 10.5674 10.5674 11.9174 11.9214 k = 0.4375 0.3969 0.2727 ( 4938 PWs) bands (ev): -32.9319 -32.9319 -32.9317 -32.9317 -14.2163 -14.2163 -14.2161 -14.2161 -13.8490 -13.8490 -13.8488 -13.8488 -13.8308 -13.8308 -13.8306 -13.8306 -0.8998 -0.8998 -0.8990 -0.8990 3.2096 3.2096 3.2635 3.2635 4.8708 4.8708 4.8979 4.8979 4.9760 4.9760 4.9864 4.9864 5.2178 5.2178 5.3538 5.3538 5.3728 5.3728 5.4248 5.4248 5.5854 5.5854 5.6124 5.6124 6.0838 6.0838 6.0997 6.0997 7.2932 7.2932 7.3258 7.3258 8.9536 8.9536 8.9629 8.9629 10.6737 10.6737 10.6823 10.6823 11.8825 11.8839 k = 0.4306 0.4090 0.2727 ( 4938 PWs) bands (ev): -32.9319 -32.9319 -32.9317 -32.9317 -14.2163 -14.2163 -14.2161 -14.2161 -13.8488 -13.8488 -13.8486 -13.8486 -13.8312 -13.8312 -13.8310 -13.8310 -0.8923 -0.8923 -0.8914 -0.8914 3.2230 3.2230 3.2843 3.2843 4.8682 4.8682 4.8956 4.8956 4.9694 4.9694 4.9773 4.9773 5.1988 5.1988 5.3512 5.3512 5.3683 5.3683 5.4249 5.4249 5.5820 5.5820 5.6124 5.6124 6.0135 6.0135 6.0390 6.0390 7.3026 7.3026 7.3369 7.3369 8.9677 8.9677 8.9765 8.9765 10.7940 10.7940 10.8043 10.8043 11.8482 11.8497 k = 0.4236 0.4210 0.2727 ( 4944 PWs) bands (ev): -32.9319 -32.9319 -32.9317 -32.9317 -14.2164 -14.2164 -14.2162 -14.2162 -13.8485 -13.8485 -13.8483 -13.8483 -13.8317 -13.8317 -13.8315 -13.8315 -0.8843 -0.8843 -0.8834 -0.8834 3.2372 3.2372 3.3065 3.3065 4.8654 4.8654 4.8905 4.8905 4.9612 4.9612 4.9658 4.9658 5.1807 5.1807 5.3479 5.3479 5.3640 5.3640 5.4246 5.4246 5.5785 5.5785 5.6123 5.6123 5.9456 5.9456 5.9818 5.9818 7.3126 7.3126 7.3485 7.3485 8.9806 8.9806 8.9887 8.9887 10.9190 10.9190 10.9312 10.9312 11.8166 11.8184 k = 0.4167 0.4330 0.2727 ( 4952 PWs) bands (ev): -32.9319 -32.9319 -32.9317 -32.9317 -14.2165 -14.2165 -14.2163 -14.2163 -13.8483 -13.8483 -13.8481 -13.8481 -13.8322 -13.8322 -13.8320 -13.8320 -0.8760 -0.8760 -0.8750 -0.8750 3.2522 3.2522 3.3299 3.3299 4.8623 4.8623 4.8800 4.8800 4.9513 4.9513 4.9534 4.9534 5.1646 5.1646 5.3438 5.3438 5.3599 5.3599 5.4237 5.4237 5.5748 5.5748 5.6121 5.6121 5.8816 5.8816 5.9290 5.9290 7.3231 7.3231 7.3604 7.3604 8.9920 8.9920 8.9995 8.9995 11.0466 11.0466 11.0607 11.0607 11.7871 11.7888 k = 0.4097 0.4450 0.2727 ( 4948 PWs) bands (ev): -32.9318 -32.9318 -32.9317 -32.9317 -14.2166 -14.2166 -14.2163 -14.2163 -13.8480 -13.8480 -13.8478 -13.8478 -13.8327 -13.8327 -13.8325 -13.8325 -0.8675 -0.8675 -0.8664 -0.8664 3.2675 3.2675 3.3542 3.3542 4.8588 4.8588 4.8609 4.8609 4.9396 4.9396 4.9431 4.9431 5.1514 5.1514 5.3394 5.3394 5.3561 5.3561 5.4223 5.4223 5.5711 5.5711 5.6120 5.6120 5.8228 5.8228 5.8814 5.8814 7.3340 7.3340 7.3726 7.3726 9.0020 9.0020 9.0088 9.0088 11.1738 11.1738 11.1901 11.1901 11.7616 11.7619 k = 0.4028 0.4571 0.2727 ( 4944 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2166 -14.2166 -14.2164 -14.2164 -13.8477 -13.8477 -13.8475 -13.8475 -13.8332 -13.8332 -13.8330 -13.8330 -0.8589 -0.8589 -0.8577 -0.8577 3.2829 3.2829 3.3790 3.3790 4.8319 4.8319 4.8544 4.8544 4.9263 4.9263 4.9365 4.9365 5.1413 5.1413 5.3347 5.3347 5.3527 5.3527 5.4200 5.4200 5.5675 5.5675 5.6119 5.6119 5.7704 5.7704 5.8392 5.8392 7.3451 7.3451 7.3849 7.3849 9.0106 9.0106 9.0166 9.0166 11.2970 11.2970 11.3153 11.3153 11.7409 11.7414 k = 0.3958 0.4691 0.2727 ( 4944 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2167 -14.2167 -14.2165 -14.2165 -13.8474 -13.8474 -13.8472 -13.8472 -13.8338 -13.8338 -13.8335 -13.8335 -0.8504 -0.8504 -0.8491 -0.8491 3.2981 3.2981 3.4041 3.4041 4.7953 4.7953 4.8487 4.8487 4.9122 4.9122 4.9329 4.9329 5.1339 5.1339 5.3301 5.3301 5.3496 5.3496 5.4167 5.4167 5.5639 5.5639 5.6118 5.6118 5.7251 5.7251 5.8022 5.8022 7.3562 7.3562 7.3972 7.3972 9.0178 9.0178 9.0230 9.0230 11.4102 11.4102 11.4292 11.4292 11.7274 11.7276 k = 0.3889 0.4811 0.2727 ( 4948 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2168 -14.2168 -14.2165 -14.2165 -13.8471 -13.8471 -13.8469 -13.8469 -13.8343 -13.8343 -13.8340 -13.8340 -0.8420 -0.8420 -0.8406 -0.8406 3.3127 3.3127 3.4289 3.4289 4.7540 4.7540 4.8406 4.8406 4.8986 4.8986 4.9311 4.9311 5.1287 5.1287 5.3260 5.3260 5.3469 5.3469 5.4125 5.4125 5.5605 5.5605 5.6117 5.6117 5.6871 5.6871 5.7704 5.7704 7.3671 7.3671 7.4091 7.4091 9.0235 9.0235 9.0280 9.0280 11.5027 11.5027 11.5178 11.5178 11.7293 11.7293 k = 0.3819 0.4932 0.2727 ( 4948 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2168 -14.2168 -14.2166 -14.2166 -13.8468 -13.8468 -13.8466 -13.8466 -13.8348 -13.8348 -13.8345 -13.8345 -0.8340 -0.8340 -0.8325 -0.8325 3.3262 3.3262 3.4530 3.4530 4.7109 4.7109 4.8291 4.8291 4.8872 4.8872 4.9303 4.9303 5.1251 5.1251 5.3228 5.3228 5.3447 5.3447 5.4071 5.4071 5.5575 5.5575 5.6118 5.6118 5.6561 5.6561 5.7433 5.7433 7.3777 7.3777 7.4206 7.4206 9.0279 9.0279 9.0317 9.0317 11.5589 11.5589 11.5649 11.5649 11.7586 11.7586 k = 0.3750 0.5052 0.2727 ( 4954 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2169 -14.2169 -14.2167 -14.2167 -13.8465 -13.8465 -13.8464 -13.8464 -13.8353 -13.8353 -13.8350 -13.8350 -0.8265 -0.8265 -0.8249 -0.8249 3.3385 3.3385 3.4756 3.4756 4.6685 4.6685 4.8143 4.8143 4.8789 4.8789 4.9300 4.9300 5.1228 5.1228 5.3206 5.3206 5.3427 5.3427 5.4008 5.4008 5.5550 5.5550 5.6119 5.6119 5.6315 5.6315 5.7205 5.7205 7.3876 7.3876 7.4315 7.4315 9.0310 9.0310 9.0342 9.0342 11.5791 11.5791 11.5794 11.5794 11.8112 11.8112 k = 0.3681 0.5172 0.2727 ( 4958 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2170 -14.2170 -14.2167 -14.2167 -13.8463 -13.8463 -13.8461 -13.8461 -13.8357 -13.8357 -13.8354 -13.8354 -0.8196 -0.8196 -0.8180 -0.8180 3.3491 3.3491 3.4961 3.4961 4.6288 4.6288 4.7979 4.7979 4.8733 4.8733 4.9299 4.9299 5.1213 5.1213 5.3199 5.3199 5.3412 5.3412 5.3938 5.3938 5.5531 5.5531 5.6122 5.6122 5.6124 5.6124 5.7016 5.7016 7.3968 7.3968 7.4414 7.4414 9.0330 9.0330 9.0356 9.0356 11.5801 11.5801 11.5830 11.5830 11.8661 11.8661 k = 0.3611 0.5292 0.2727 ( 4960 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2170 -14.2170 -14.2168 -14.2168 -13.8461 -13.8461 -13.8459 -13.8459 -13.8361 -13.8361 -13.8358 -13.8358 -0.8136 -0.8136 -0.8119 -0.8119 3.3577 3.3577 3.5139 3.5139 4.5938 4.5938 4.7818 4.7818 4.8696 4.8696 4.9300 4.9300 5.1203 5.1203 5.3205 5.3205 5.3401 5.3401 5.3865 5.3865 5.5520 5.5520 5.5978 5.5978 5.6126 5.6126 5.6863 5.6863 7.4049 7.4049 7.4501 7.4501 9.0340 9.0340 9.0361 9.0361 11.5777 11.5777 11.5817 11.5817 11.9116 11.9116 k = 0.3542 0.5413 0.2727 ( 4970 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2171 -14.2171 -14.2168 -14.2168 -13.8459 -13.8459 -13.8457 -13.8457 -13.8364 -13.8364 -13.8361 -13.8361 -0.8087 -0.8087 -0.8069 -0.8069 3.3643 3.3643 3.5282 3.5282 4.5650 4.5650 4.7678 4.7678 4.8670 4.8670 4.9301 4.9301 5.1196 5.1196 5.3222 5.3222 5.3393 5.3393 5.3791 5.3791 5.5515 5.5515 5.5868 5.5868 5.6132 5.6132 5.6743 5.6743 7.4116 7.4116 7.4574 7.4574 9.0343 9.0343 9.0359 9.0359 11.5752 11.5752 11.5799 11.5799 11.9448 11.9448 k = 0.3472 0.5533 0.2727 ( 4962 PWs) bands (ev): -32.9317 -32.9317 -32.9316 -32.9316 -14.2171 -14.2171 -14.2168 -14.2168 -13.8458 -13.8458 -13.8456 -13.8456 -13.8366 -13.8366 -13.8363 -13.8363 -0.8049 -0.8049 -0.8031 -0.8031 3.3688 3.3688 3.5386 3.5386 4.5437 4.5437 4.7572 4.7572 4.8653 4.8653 4.9303 4.9303 5.1193 5.1193 5.3249 5.3249 5.3387 5.3387 5.3725 5.3725 5.5517 5.5517 5.5789 5.5789 5.6138 5.6138 5.6656 5.6656 7.4168 7.4168 7.4630 7.4630 9.0340 9.0340 9.0354 9.0354 11.5736 11.5736 11.5788 11.5788 11.9665 11.9665 k = 0.3403 0.5653 0.2727 ( 4954 PWs) bands (ev): -32.9317 -32.9317 -32.9316 -32.9316 -14.2171 -14.2171 -14.2168 -14.2168 -13.8457 -13.8457 -13.8455 -13.8455 -13.8367 -13.8367 -13.8364 -13.8364 -0.8025 -0.8025 -0.8007 -0.8007 3.3713 3.3713 3.5447 3.5447 4.5307 4.5307 4.7506 4.7506 4.8643 4.8643 4.9304 4.9304 5.1191 5.1191 5.3276 5.3276 5.3384 5.3384 5.3674 5.3674 5.5523 5.5523 5.5740 5.5740 5.6144 5.6144 5.6603 5.6603 7.4201 7.4201 7.4665 7.4665 9.0336 9.0336 9.0348 9.0348 11.5730 11.5730 11.5786 11.5786 11.9780 11.9780 k = 0.3333 0.5774 0.2727 ( 4962 PWs) bands (ev): -32.9317 -32.9317 -32.9316 -32.9316 -14.2171 -14.2171 -14.2169 -14.2169 -13.8457 -13.8457 -13.8455 -13.8455 -13.8368 -13.8368 -13.8365 -13.8365 -0.8017 -0.8017 -0.7999 -0.7999 3.3721 3.3721 3.5466 3.5466 4.5263 4.5263 4.7484 4.7484 4.8640 4.8640 4.9305 4.9305 5.1190 5.1190 5.3288 5.3288 5.3383 5.3383 5.3654 5.3654 5.5526 5.5526 5.5722 5.5722 5.6146 5.6146 5.6585 5.6585 7.4213 7.4213 7.4677 7.4677 9.0334 9.0334 9.0345 9.0345 11.5730 11.5730 11.5787 11.5787 11.9813 11.9813 k = 0.3333 0.5774 0.2727 ( 4962 PWs) bands (ev): -32.9317 -32.9317 -32.9316 -32.9316 -14.2171 -14.2171 -14.2169 -14.2169 -13.8457 -13.8457 -13.8455 -13.8455 -13.8368 -13.8368 -13.8365 -13.8365 -0.8017 -0.8017 -0.7999 -0.7999 3.3721 3.3721 3.5466 3.5466 4.5263 4.5263 4.7484 4.7484 4.8640 4.8640 4.9305 4.9305 5.1190 5.1190 5.3288 5.3288 5.3383 5.3383 5.3654 5.3654 5.5526 5.5526 5.5722 5.5722 5.6146 5.6146 5.6585 5.6585 7.4213 7.4213 7.4677 7.4677 9.0334 9.0334 9.0345 9.0345 11.5730 11.5730 11.5787 11.5787 11.9813 11.9813 k = 0.3264 0.5653 0.2727 ( 4958 PWs) bands (ev): -32.9317 -32.9317 -32.9316 -32.9316 -14.2171 -14.2171 -14.2168 -14.2168 -13.8457 -13.8457 -13.8455 -13.8455 -13.8367 -13.8367 -13.8364 -13.8364 -0.8026 -0.8026 -0.8007 -0.8007 3.3715 3.3715 3.5449 3.5449 4.5305 4.5305 4.7505 4.7505 4.8644 4.8644 4.9304 4.9304 5.1191 5.1191 5.3275 5.3275 5.3384 5.3384 5.3675 5.3675 5.5523 5.5523 5.5740 5.5740 5.6144 5.6144 5.6603 5.6603 7.4200 7.4200 7.4664 7.4664 9.0338 9.0338 9.0349 9.0349 11.5727 11.5727 11.5782 11.5782 11.9790 11.9790 k = 0.3194 0.5533 0.2727 ( 4966 PWs) bands (ev): -32.9317 -32.9317 -32.9316 -32.9316 -14.2171 -14.2171 -14.2168 -14.2168 -13.8458 -13.8458 -13.8456 -13.8456 -13.8366 -13.8366 -13.8363 -13.8363 -0.8053 -0.8053 -0.8035 -0.8035 3.3700 3.3700 3.5402 3.5402 4.5426 4.5426 4.7564 4.7564 4.8656 4.8656 4.9303 4.9303 5.1194 5.1194 5.3242 5.3242 5.3387 5.3387 5.3730 5.3730 5.5516 5.5516 5.5792 5.5792 5.6137 5.6137 5.6658 5.6658 7.4161 7.4161 7.4622 7.4622 9.0351 9.0351 9.0365 9.0365 11.5707 11.5707 11.5754 11.5754 11.9744 11.9744 k = 0.3125 0.5413 0.2727 ( 4970 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2171 -14.2171 -14.2168 -14.2168 -13.8459 -13.8459 -13.8457 -13.8457 -13.8364 -13.8364 -13.8361 -13.8361 -0.8100 -0.8100 -0.8083 -0.8083 3.3684 3.3684 3.5335 3.5335 4.5614 4.5614 4.7653 4.7653 4.8678 4.8678 4.9301 4.9301 5.1201 5.1201 5.3205 5.3205 5.3391 5.3391 5.3804 5.3804 5.5511 5.5511 5.5876 5.5876 5.6129 5.6129 5.6748 5.6748 7.4093 7.4093 7.4550 7.4550 9.0378 9.0378 9.0396 9.0396 11.5656 11.5656 11.5688 11.5688 11.9710 11.9710 k = 0.3056 0.5292 0.2727 ( 4970 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2170 -14.2170 -14.2168 -14.2168 -13.8460 -13.8460 -13.8458 -13.8458 -13.8361 -13.8361 -13.8358 -13.8358 -0.8169 -0.8169 -0.8152 -0.8152 3.3671 3.3671 3.5259 3.5259 4.5858 4.5858 4.7760 4.7760 4.8715 4.8715 4.9299 4.9299 5.1213 5.1213 5.3172 5.3172 5.3397 5.3397 5.3885 5.3885 5.5511 5.5511 5.5995 5.5995 5.6120 5.6120 5.6872 5.6872 7.3995 7.3995 7.4445 7.4445 9.0423 9.0423 9.0446 9.0446 11.5559 11.5559 11.5567 11.5567 11.9716 11.9716 k = 0.2986 0.5172 0.2727 ( 4962 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2169 -14.2169 -14.2167 -14.2167 -13.8461 -13.8461 -13.8460 -13.8460 -13.8358 -13.8358 -13.8355 -13.8355 -0.8259 -0.8259 -0.8243 -0.8243 3.3667 3.3667 3.5184 3.5184 4.6144 4.6144 4.7870 4.7870 4.8771 4.8771 4.9298 4.9298 5.1234 5.1234 5.3154 5.3154 5.3406 5.3406 5.3966 5.3966 5.5516 5.5516 5.6113 5.6113 5.6152 5.6152 5.7030 5.7030 7.3865 7.3865 7.4307 7.4307 9.0490 9.0490 9.0520 9.0520 11.5381 11.5381 11.5402 11.5402 11.9782 11.9782 k = 0.2917 0.5052 0.2727 ( 4958 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2168 -14.2168 -14.2166 -14.2166 -13.8463 -13.8463 -13.8461 -13.8461 -13.8353 -13.8353 -13.8351 -13.8351 -0.8372 -0.8372 -0.8357 -0.8357 3.3679 3.3679 3.5120 3.5120 4.6455 4.6455 4.7971 4.7971 4.8848 4.8848 4.9298 4.9298 5.1269 5.1269 5.3155 5.3155 5.3419 5.3419 5.4040 5.4040 5.5526 5.5526 5.6106 5.6106 5.6353 5.6353 5.7224 5.7224 7.3703 7.3703 7.4135 7.4135 9.0582 9.0582 9.0620 9.0620 11.5128 11.5128 11.5179 11.5179 11.9915 11.9915 k = 0.2847 0.4932 0.2727 ( 4956 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2167 -14.2167 -14.2165 -14.2165 -13.8464 -13.8464 -13.8463 -13.8463 -13.8349 -13.8349 -13.8346 -13.8346 -0.8508 -0.8508 -0.8494 -0.8494 3.3712 3.3712 3.5075 3.5075 4.6774 4.6774 4.8051 4.8051 4.8944 4.8944 4.9300 4.9300 5.1322 5.1322 5.3182 5.3182 5.3435 5.3435 5.4105 5.4105 5.5539 5.5539 5.6101 5.6101 5.6604 5.6604 5.7453 5.7453 7.3508 7.3508 7.3929 7.3929 9.0702 9.0702 9.0750 9.0750 11.4813 11.4813 11.4890 11.4890 12.0114 12.0115 k = 0.2778 0.4811 0.2727 ( 4952 PWs) bands (ev): -32.9318 -32.9318 -32.9316 -32.9316 -14.2166 -14.2166 -14.2163 -14.2163 -13.8466 -13.8466 -13.8464 -13.8464 -13.8344 -13.8344 -13.8342 -13.8342 -0.8667 -0.8667 -0.8654 -0.8654 3.3770 3.3770 3.5055 3.5055 4.7084 4.7084 4.8109 4.8109 4.9051 4.9051 4.9306 4.9306 5.1403 5.1403 5.3241 5.3241 5.3456 5.3456 5.4159 5.4159 5.5555 5.5555 5.6097 5.6097 5.6907 5.6907 5.7720 5.7720 7.3281 7.3281 7.3689 7.3689 9.0851 9.0851 9.0910 9.0910 11.4446 11.4446 11.4543 11.4543 12.0369 12.0370 k = 0.2708 0.4691 0.2727 ( 4962 PWs) bands (ev): -32.9319 -32.9319 -32.9317 -32.9317 -14.2164 -14.2164 -14.2162 -14.2162 -13.8467 -13.8467 -13.8465 -13.8465 -13.8339 -13.8339 -13.8337 -13.8337 -0.8849 -0.8849 -0.8837 -0.8837 3.3855 3.3855 3.5064 3.5064 4.7366 4.7366 4.8146 4.8146 4.9157 4.9157 4.9317 4.9317 5.1518 5.1518 5.3332 5.3332 5.3484 5.3484 5.4206 5.4206 5.5572 5.5572 5.6094 5.6094 5.7265 5.7265 5.8025 5.8025 7.3023 7.3023 7.3418 7.3418 9.1031 9.1031 9.1102 9.1102 11.4038 11.4038 11.4146 11.4146 12.0671 12.0684 k = 0.2639 0.4571 0.2727 ( 4976 PWs) bands (ev): -32.9319 -32.9319 -32.9317 -32.9317 -14.2163 -14.2163 -14.2160 -14.2160 -13.8468 -13.8468 -13.8467 -13.8467 -13.8334 -13.8334 -13.8332 -13.8332 -0.9053 -0.9053 -0.9042 -0.9042 3.3972 3.3972 3.5107 3.5107 4.7604 4.7604 4.8166 4.8166 4.9249 4.9249 4.9333 4.9333 5.1676 5.1676 5.3457 5.3457 5.3521 5.3521 5.4250 5.4250 5.5591 5.5591 5.6093 5.6093 5.7676 5.7676 5.8371 5.8371 7.2737 7.2737 7.3116 7.3116 9.1244 9.1244 9.1328 9.1328 11.3598 11.3598 11.3711 11.3711 12.1000 12.1005 k = 0.2569 0.4450 0.2727 ( 4968 PWs) bands (ev): -32.9319 -32.9319 -32.9318 -32.9318 -14.2161 -14.2161 -14.2158 -14.2158 -13.8469 -13.8469 -13.8467 -13.8467 -13.8328 -13.8328 -13.8326 -13.8326 -0.9279 -0.9279 -0.9269 -0.9269 3.4120 3.4120 3.5184 3.5184 4.7786 4.7786 4.8173 4.8173 4.9320 4.9320 4.9353 4.9353 5.1882 5.1882 5.3571 5.3571 5.3610 5.3610 5.4301 5.4301 5.5612 5.5612 5.6094 5.6094 5.8142 5.8142 5.8758 5.8758 7.2425 7.2425 7.2789 7.2789 9.1490 9.1490 9.1586 9.1586 11.3135 11.3135 11.3248 11.3248 12.1149 12.1152 k = 0.2500 0.4330 0.2727 ( 4960 PWs) bands (ev): -32.9320 -32.9320 -32.9318 -32.9318 -14.2158 -14.2158 -14.2156 -14.2156 -13.8469 -13.8469 -13.8467 -13.8467 -13.8322 -13.8322 -13.8320 -13.8320 -0.9525 -0.9525 -0.9516 -0.9516 3.4302 3.4302 3.5299 3.5299 4.7911 4.7911 4.8169 4.8169 4.9367 4.9367 4.9373 4.9373 5.2130 5.2130 5.3640 5.3640 5.3772 5.3772 5.4376 5.4376 5.5635 5.5635 5.6097 5.6097 5.8659 5.8659 5.9188 5.9188 7.2089 7.2089 7.2437 7.2437 9.1768 9.1768 9.1878 9.1878 11.2657 11.2657 11.2763 11.2763 12.0579 12.0583 k = 0.2431 0.4210 0.2727 ( 4956 PWs) bands (ev): -32.9320 -32.9320 -32.9318 -32.9318 -14.2156 -14.2156 -14.2154 -14.2154 -13.8469 -13.8469 -13.8467 -13.8467 -13.8316 -13.8316 -13.8314 -13.8314 -0.9790 -0.9790 -0.9783 -0.9783 3.4517 3.4517 3.5449 3.5449 4.7981 4.7981 4.8155 4.8155 4.9390 4.9390 4.9390 4.9390 5.2403 5.2403 5.3740 5.3740 5.3910 5.3910 5.4504 5.4504 5.5662 5.5662 5.6105 5.6105 5.9226 5.9226 5.9662 5.9662 7.1734 7.1734 7.2065 7.2065 9.2078 9.2078 9.2202 9.2202 11.2168 11.2168 11.2265 11.2265 11.9987 11.9988 k = 0.2361 0.4090 0.2727 ( 4944 PWs) bands (ev): -32.9320 -32.9320 -32.9319 -32.9319 -14.2153 -14.2153 -14.2151 -14.2151 -13.8469 -13.8469 -13.8467 -13.8467 -13.8309 -13.8309 -13.8307 -13.8307 -1.0073 -1.0073 -1.0067 -1.0067 3.4764 3.4764 3.5635 3.5635 4.8006 4.8006 4.8131 4.8131 4.9392 4.9392 4.9399 4.9399 5.2673 5.2673 5.3891 5.3891 5.3999 5.3999 5.4705 5.4705 5.5698 5.5698 5.6119 5.6119 5.9838 5.9838 6.0178 6.0178 7.1363 7.1363 7.1677 7.1677 9.2419 9.2419 9.2556 9.2556 11.1674 11.1674 11.1758 11.1758 11.9394 11.9396 k = 0.2292 0.3969 0.2727 ( 4940 PWs) bands (ev): -32.9321 -32.9321 -32.9319 -32.9319 -14.2150 -14.2150 -14.2148 -14.2148 -13.8469 -13.8469 -13.8467 -13.8467 -13.8303 -13.8303 -13.8301 -13.8301 -1.0372 -1.0372 -1.0367 -1.0367 3.5042 3.5042 3.5855 3.5855 4.7995 4.7995 4.8096 4.8096 4.9377 4.9377 4.9401 4.9401 5.2905 5.2905 5.4044 5.4044 5.4113 5.4113 5.4955 5.4955 5.5756 5.5756 5.6146 5.6146 6.0491 6.0491 6.0736 6.0736 7.0979 7.0979 7.1277 7.1277 9.2790 9.2790 9.2941 9.2941 11.1178 11.1178 11.1249 11.1249 11.8797 11.8810 k = 0.2222 0.3849 0.2727 ( 4928 PWs) bands (ev): -32.9321 -32.9321 -32.9320 -32.9320 -14.2147 -14.2147 -14.2145 -14.2145 -13.8468 -13.8468 -13.8466 -13.8466 -13.8296 -13.8296 -13.8294 -13.8294 -1.0685 -1.0685 -1.0681 -1.0681 3.5349 3.5349 3.6107 3.6107 4.7956 4.7956 4.8052 4.8052 4.9351 4.9351 4.9394 4.9394 5.3080 5.3080 5.4065 5.4065 5.4406 5.4406 5.5200 5.5200 5.5872 5.5872 5.6194 5.6194 6.1181 6.1181 6.1334 6.1334 7.0589 7.0589 7.0869 7.0869 9.3189 9.3189 9.3353 9.3353 11.0683 11.0683 11.0739 11.0739 11.8224 11.8231 k = 0.2153 0.3729 0.2727 ( 4928 PWs) bands (ev): -32.9322 -32.9322 -32.9320 -32.9320 -14.2144 -14.2144 -14.2142 -14.2142 -13.8467 -13.8467 -13.8465 -13.8465 -13.8289 -13.8289 -13.8287 -13.8287 -1.1011 -1.1011 -1.1007 -1.1007 3.5683 3.5683 3.6389 3.6389 4.7894 4.7894 4.7995 4.7995 4.9318 4.9318 4.9381 4.9381 5.3202 5.3202 5.4072 5.4072 5.4738 5.4738 5.5371 5.5371 5.6100 5.6100 5.6282 5.6282 6.1903 6.1903 6.1969 6.1969 7.0196 7.0196 7.0458 7.0458 9.3615 9.3615 9.3792 9.3792 11.0193 11.0193 11.0233 11.0233 11.7612 11.7634 k = 0.2083 0.3608 0.2727 ( 4924 PWs) bands (ev): -32.9322 -32.9322 -32.9321 -32.9321 -14.2140 -14.2140 -14.2138 -14.2138 -13.8466 -13.8466 -13.8464 -13.8464 -13.8282 -13.8282 -13.8280 -13.8280 -1.1346 -1.1346 -1.1343 -1.1343 3.6041 3.6041 3.6697 3.6697 4.7816 4.7816 4.7928 4.7928 4.9280 4.9280 4.9363 4.9363 5.3290 5.3290 5.4072 5.4072 5.5053 5.5053 5.5457 5.5457 5.6446 5.6446 5.6447 5.6447 6.2637 6.2637 6.2649 6.2649 6.9808 6.9808 7.0050 7.0050 9.4065 9.4065 9.4256 9.4256 10.9709 10.9709 10.9734 10.9734 11.7027 11.7027 k = 0.2014 0.3488 0.2727 ( 4938 PWs) bands (ev): -32.9323 -32.9323 -32.9321 -32.9321 -14.2137 -14.2137 -14.2135 -14.2135 -13.8465 -13.8465 -13.8463 -13.8463 -13.8275 -13.8275 -13.8273 -13.8273 -1.1690 -1.1690 -1.1688 -1.1688 3.6419 3.6419 3.7029 3.7029 4.7723 4.7723 4.7848 4.7848 4.9242 4.9242 4.9341 4.9341 5.3357 5.3357 5.4067 5.4067 5.5291 5.5291 5.5494 5.5494 5.6729 5.6729 5.6869 5.6869 6.3331 6.3331 6.3411 6.3411 6.9433 6.9433 6.9653 6.9653 9.4539 9.4539 9.4743 9.4743 10.9235 10.9235 10.9245 10.9245 11.6486 11.6520 k = 0.1944 0.3368 0.2727 ( 4942 PWs) bands (ev): -32.9324 -32.9324 -32.9322 -32.9322 -14.2134 -14.2134 -14.2132 -14.2132 -13.8463 -13.8463 -13.8461 -13.8461 -13.8268 -13.8268 -13.8266 -13.8266 -1.2041 -1.2041 -1.2039 -1.2039 3.6816 3.6816 3.7381 3.7381 4.7620 4.7620 4.7758 4.7758 4.9204 4.9204 4.9316 4.9316 5.3411 5.3411 5.4058 5.4058 5.5435 5.5435 5.5509 5.5509 5.7137 5.7137 5.7343 5.7343 6.4041 6.4041 6.4176 6.4176 6.9086 6.9086 6.9277 6.9277 9.5033 9.5033 9.5250 9.5250 10.8767 10.8767 10.8772 10.8772 11.5945 11.6014 k = 0.1875 0.3248 0.2727 ( 4942 PWs) bands (ev): -32.9324 -32.9324 -32.9323 -32.9323 -14.2130 -14.2130 -14.2128 -14.2128 -13.8462 -13.8462 -13.8460 -13.8460 -13.8261 -13.8261 -13.8259 -13.8259 -1.2396 -1.2396 -1.2395 -1.2395 3.7228 3.7228 3.7751 3.7751 4.7509 4.7509 4.7658 4.7658 4.9169 4.9169 4.9288 4.9288 5.3456 5.3456 5.4048 5.4048 5.5509 5.5509 5.5511 5.5511 5.7641 5.7641 5.7856 5.7856 6.4749 6.4749 6.4918 6.4918 6.8790 6.8790 6.8942 6.8942 9.5547 9.5547 9.5776 9.5776 10.8303 10.8303 10.8322 10.8322 11.5436 11.5502 k = 0.1806 0.3127 0.2727 ( 4946 PWs) bands (ev): -32.9325 -32.9325 -32.9323 -32.9323 -14.2126 -14.2126 -14.2124 -14.2124 -13.8460 -13.8460 -13.8458 -13.8458 -13.8253 -13.8253 -13.8252 -13.8252 -1.2753 -1.2753 -1.2753 -1.2753 3.7651 3.7651 3.8133 3.8133 4.7390 4.7390 4.7548 4.7548 4.9136 4.9136 4.9260 4.9260 5.3496 5.3496 5.4036 5.4036 5.5506 5.5506 5.5542 5.5542 5.8209 5.8209 5.8402 5.8402 6.5421 6.5421 6.5587 6.5587 6.8599 6.8599 6.8684 6.8684 9.6076 9.6076 9.6319 9.6319 10.7854 10.7854 10.7887 10.7887 11.4950 11.4972 k = 0.1736 0.3007 0.2727 ( 4942 PWs) bands (ev): -32.9326 -32.9326 -32.9324 -32.9324 -14.2122 -14.2122 -14.2120 -14.2120 -13.8458 -13.8458 -13.8456 -13.8456 -13.8246 -13.8246 -13.8244 -13.8244 -1.3111 -1.3111 -1.3111 -1.3111 3.8082 3.8082 3.8526 3.8526 4.7267 4.7267 4.7431 4.7431 4.9105 4.9105 4.9230 4.9230 5.3531 5.3531 5.4022 5.4022 5.5495 5.5495 5.5550 5.5550 5.8818 5.8818 5.8977 5.8977 6.5982 6.5982 6.6086 6.6086 6.8576 6.8576 6.8612 6.8612 9.6619 9.6619 9.6874 9.6874 10.7423 10.7423 10.7468 10.7468 11.4488 11.4490 k = 0.1667 0.2887 0.2727 ( 4944 PWs) bands (ev): -32.9326 -32.9326 -32.9325 -32.9325 -14.2118 -14.2118 -14.2116 -14.2116 -13.8456 -13.8456 -13.8454 -13.8454 -13.8238 -13.8238 -13.8236 -13.8236 -1.3468 -1.3468 -1.3468 -1.3468 3.8517 3.8517 3.8925 3.8925 4.7139 4.7139 4.7308 4.7308 4.9077 4.9077 4.9199 4.9199 5.3562 5.3562 5.4008 5.4008 5.5479 5.5479 5.5543 5.5543 5.9455 5.9455 5.9575 5.9575 6.6312 6.6312 6.6321 6.6321 6.8738 6.8738 6.8935 6.8935 9.7172 9.7172 9.7440 9.7440 10.7010 10.7010 10.7067 10.7067 11.4066 11.4073 k = 0.1597 0.2766 0.2727 ( 4940 PWs) bands (ev): -32.9327 -32.9327 -32.9325 -32.9325 -14.2114 -14.2114 -14.2112 -14.2112 -13.8454 -13.8454 -13.8452 -13.8452 -13.8230 -13.8230 -13.8228 -13.8228 -1.3823 -1.3823 -1.3822 -1.3822 3.8953 3.8953 3.9328 3.9328 4.7010 4.7010 4.7180 4.7180 4.9050 4.9050 4.9168 4.9168 5.3590 5.3590 5.3993 5.3993 5.5458 5.5458 5.5526 5.5526 6.0107 6.0107 6.0189 6.0189 6.6308 6.6308 6.6402 6.6402 6.9210 6.9210 6.9533 6.9533 9.7732 9.7732 9.8013 9.8013 10.6619 10.6619 10.6686 10.6686 11.3649 11.3658 k = 0.1528 0.2646 0.2727 ( 4936 PWs) bands (ev): -32.9328 -32.9328 -32.9326 -32.9326 -14.2110 -14.2110 -14.2108 -14.2108 -13.8452 -13.8452 -13.8450 -13.8450 -13.8222 -13.8222 -13.8220 -13.8220 -1.4173 -1.4173 -1.4172 -1.4172 3.9388 3.9388 3.9731 3.9731 4.6879 4.6879 4.7049 4.7049 4.9025 4.9025 4.9136 4.9136 5.3615 5.3615 5.3978 5.3978 5.5434 5.5434 5.5502 5.5502 6.0756 6.0756 6.0803 6.0803 6.6209 6.6209 6.6344 6.6344 6.9888 6.9888 7.0284 7.0284 9.8294 9.8294 9.8588 9.8588 10.6249 10.6249 10.6325 10.6325 11.3269 11.3278 k = 0.1458 0.2526 0.2727 ( 4936 PWs) bands (ev): -32.9328 -32.9328 -32.9327 -32.9327 -14.2106 -14.2106 -14.2104 -14.2104 -13.8450 -13.8450 -13.8448 -13.8448 -13.8214 -13.8214 -13.8212 -13.8212 -1.4517 -1.4517 -1.4516 -1.4516 3.9818 3.9818 4.0132 4.0132 4.6748 4.6748 4.6916 4.6916 4.9000 4.9000 4.9102 4.9102 5.3637 5.3637 5.3961 5.3961 5.5407 5.5407 5.5473 5.5473 6.1376 6.1376 6.1394 6.1394 6.6119 6.6119 6.6272 6.6272 7.0668 7.0668 7.1107 7.1107 9.8854 9.8854 9.9161 9.9161 10.5903 10.5903 10.5987 10.5987 11.2922 11.2933 k = 0.1389 0.2406 0.2727 ( 4940 PWs) bands (ev): -32.9329 -32.9329 -32.9327 -32.9327 -14.2102 -14.2102 -14.2101 -14.2101 -13.8448 -13.8448 -13.8446 -13.8446 -13.8206 -13.8206 -13.8204 -13.8204 -1.4853 -1.4853 -1.4853 -1.4853 4.0241 4.0241 4.0527 4.0527 4.6617 4.6617 4.6782 4.6782 4.8976 4.8976 4.9069 4.9069 5.3657 5.3657 5.3944 5.3944 5.5376 5.5376 5.5438 5.5438 6.1922 6.1922 6.1927 6.1927 6.6114 6.6114 6.6277 6.6277 7.1498 7.1498 7.1962 7.1962 9.9406 9.9406 9.9726 9.9726 10.5583 10.5583 10.5672 10.5672 11.2604 11.2614 k = 0.1319 0.2285 0.2727 ( 4940 PWs) bands (ev): -32.9330 -32.9330 -32.9328 -32.9328 -14.2099 -14.2099 -14.2097 -14.2097 -13.8446 -13.8446 -13.8444 -13.8444 -13.8198 -13.8198 -13.8196 -13.8196 -1.5181 -1.5181 -1.5180 -1.5180 4.0654 4.0654 4.0914 4.0914 4.6488 4.6488 4.6648 4.6648 4.8951 4.8951 4.9034 4.9034 5.3673 5.3673 5.3926 5.3926 5.5343 5.5343 5.5401 5.5401 6.2333 6.2333 6.2354 6.2354 6.6264 6.6264 6.6438 6.6438 7.2350 7.2350 7.2831 7.2831 9.9945 9.9945 10.0277 10.0277 10.5288 10.5288 10.5383 10.5383 11.2317 11.2324 k = 0.1250 0.2165 0.2727 ( 4944 PWs) bands (ev): -32.9331 -32.9331 -32.9329 -32.9329 -14.2095 -14.2095 -14.2093 -14.2093 -13.8444 -13.8444 -13.8442 -13.8442 -13.8190 -13.8190 -13.8188 -13.8188 -1.5498 -1.5498 -1.5498 -1.5498 4.1056 4.1056 4.1292 4.1292 4.6361 4.6361 4.6515 4.6515 4.8925 4.8925 4.8999 4.8999 5.3687 5.3687 5.3908 5.3908 5.5308 5.5308 5.5361 5.5361 6.2585 6.2585 6.2614 6.2614 6.6621 6.6621 6.6805 6.6805 7.3212 7.3212 7.3702 7.3702 10.0462 10.0462 10.0806 10.0806 10.5022 10.5022 10.5120 10.5120 11.2057 11.2057 k = 0.1181 0.2045 0.2727 ( 4944 PWs) bands (ev): -32.9331 -32.9331 -32.9329 -32.9329 -14.2091 -14.2091 -14.2089 -14.2089 -13.8442 -13.8442 -13.8440 -13.8440 -13.8182 -13.8182 -13.8181 -13.8181 -1.5805 -1.5805 -1.5804 -1.5804 4.1444 4.1444 4.1659 4.1659 4.6237 4.6237 4.6385 4.6385 4.8898 4.8898 4.8962 4.8962 5.3699 5.3699 5.3890 5.3890 5.5271 5.5271 5.5319 5.5319 6.2677 6.2677 6.2710 6.2710 6.7189 6.7189 6.7384 6.7384 7.4073 7.4073 7.4566 7.4566 10.0950 10.0950 10.1305 10.1305 10.4786 10.4786 10.4884 10.4884 11.1819 11.1822 k = 0.1111 0.1925 0.2727 ( 4948 PWs) bands (ev): -32.9332 -32.9332 -32.9330 -32.9330 -14.2087 -14.2087 -14.2086 -14.2086 -13.8440 -13.8440 -13.8439 -13.8439 -13.8175 -13.8175 -13.8173 -13.8173 -1.6099 -1.6099 -1.6099 -1.6099 4.1818 4.1818 4.2012 4.2012 4.6116 4.6116 4.6257 4.6257 4.8870 4.8870 4.8925 4.8925 5.3707 5.3707 5.3870 5.3870 5.5233 5.5233 5.5275 5.5275 6.2650 6.2650 6.2684 6.2684 6.7928 6.7928 6.8133 6.8133 7.4925 7.4925 7.5417 7.5417 10.1400 10.1400 10.1761 10.1761 10.4582 10.4582 10.4676 10.4676 11.1591 11.1592 k = 0.1042 0.1804 0.2727 ( 4938 PWs) bands (ev): -32.9332 -32.9332 -32.9331 -32.9331 -14.2084 -14.2084 -14.2082 -14.2082 -13.8439 -13.8439 -13.8437 -13.8437 -13.8167 -13.8167 -13.8165 -13.8165 -1.6380 -1.6380 -1.6379 -1.6379 4.2176 4.2176 4.2351 4.2351 4.6001 4.6001 4.6135 4.6135 4.8841 4.8841 4.8888 4.8888 5.3713 5.3713 5.3851 5.3851 5.5194 5.5194 5.5231 5.5231 6.2551 6.2551 6.2583 6.2583 6.8792 6.8792 6.9006 6.9006 7.5764 7.5764 7.6249 7.6249 10.1801 10.1801 10.2163 10.2163 10.4413 10.4413 10.4500 10.4500 11.1356 11.1356 k = 0.0972 0.1684 0.2727 ( 4938 PWs) bands (ev): -32.9333 -32.9333 -32.9331 -32.9331 -14.2080 -14.2080 -14.2078 -14.2078 -13.8437 -13.8437 -13.8435 -13.8435 -13.8160 -13.8160 -13.8158 -13.8158 -1.6647 -1.6647 -1.6646 -1.6646 4.2516 4.2516 4.2674 4.2674 4.5890 4.5890 4.6016 4.6016 4.8810 4.8810 4.8849 4.8849 5.3717 5.3717 5.3831 5.3831 5.5154 5.5154 5.5186 5.5186 6.2413 6.2413 6.2442 6.2442 6.9746 6.9746 6.9967 6.9967 7.6583 7.6583 7.7057 7.7057 10.2140 10.2140 10.2492 10.2492 10.4289 10.4289 10.4360 10.4360 11.1086 11.1089 k = 0.0903 0.1564 0.2727 ( 4930 PWs) bands (ev): -32.9334 -32.9334 -32.9332 -32.9332 -14.2077 -14.2077 -14.2075 -14.2075 -13.8436 -13.8436 -13.8434 -13.8434 -13.8152 -13.8152 -13.8150 -13.8150 -1.6898 -1.6898 -1.6898 -1.6898 4.2838 4.2838 4.2981 4.2981 4.5785 4.5785 4.5903 4.5903 4.8778 4.8778 4.8810 4.8810 5.3718 5.3718 5.3812 5.3812 5.5115 5.5115 5.5142 5.5142 6.2257 6.2257 6.2282 6.2282 7.0767 7.0767 7.0992 7.0992 7.7377 7.7377 7.7835 7.7835 10.2398 10.2398 10.2724 10.2724 10.4224 10.4224 10.4264 10.4264 11.0747 11.0747 k = 0.0833 0.1443 0.2727 ( 4930 PWs) bands (ev): -32.9334 -32.9334 -32.9332 -32.9332 -14.2074 -14.2074 -14.2072 -14.2072 -13.8434 -13.8434 -13.8432 -13.8432 -13.8145 -13.8145 -13.8143 -13.8143 -1.7134 -1.7134 -1.7134 -1.7134 4.3142 4.3142 4.3269 4.3269 4.5686 4.5686 4.5795 4.5795 4.8745 4.8745 4.8771 4.8771 5.3716 5.3716 5.3792 5.3792 5.5077 5.5077 5.5099 5.5099 6.2095 6.2095 6.2117 6.2117 7.1837 7.1837 7.2065 7.2065 7.8140 7.8140 7.8580 7.8580 10.2551 10.2551 10.2831 10.2831 10.4228 10.4228 10.4233 10.4233 11.0298 11.0298 k = 0.0764 0.1323 0.2727 ( 4922 PWs) bands (ev): -32.9335 -32.9335 -32.9333 -32.9333 -14.2071 -14.2071 -14.2069 -14.2069 -13.8433 -13.8433 -13.8431 -13.8431 -13.8139 -13.8139 -13.8137 -13.8137 -1.7354 -1.7354 -1.7354 -1.7354 4.3425 4.3425 4.3538 4.3538 4.5594 4.5594 4.5694 4.5694 4.8711 4.8711 4.8731 4.8731 5.3713 5.3713 5.3772 5.3772 5.5040 5.5040 5.5058 5.5058 6.1937 6.1937 6.1954 6.1954 7.2944 7.2944 7.3171 7.3171 7.8869 7.8869 7.9285 7.9285 10.2574 10.2574 10.2799 10.2799 10.4264 10.4264 10.4320 10.4320 10.9765 10.9765 k = 0.0694 0.1203 0.2727 ( 4914 PWs) bands (ev): -32.9335 -32.9335 -32.9333 -32.9333 -14.2068 -14.2068 -14.2066 -14.2066 -13.8431 -13.8431 -13.8430 -13.8430 -13.8133 -13.8133 -13.8131 -13.8131 -1.7556 -1.7556 -1.7556 -1.7556 4.3688 4.3688 4.3789 4.3789 4.5510 4.5510 4.5601 4.5601 4.8675 4.8675 4.8691 4.8691 5.3708 5.3708 5.3753 5.3753 5.5005 5.5005 5.5019 5.5019 6.1785 6.1785 6.1799 6.1799 7.4077 7.4077 7.4299 7.4299 7.9559 7.9559 7.9947 7.9947 10.2455 10.2455 10.2635 10.2635 10.4373 10.4373 10.4463 10.4463 10.9176 10.9176 k = 0.0625 0.1083 0.2727 ( 4918 PWs) bands (ev): -32.9336 -32.9336 -32.9334 -32.9334 -14.2066 -14.2066 -14.2064 -14.2064 -13.8431 -13.8431 -13.8429 -13.8429 -13.8127 -13.8127 -13.8125 -13.8125 -1.7741 -1.7741 -1.7741 -1.7741 4.3930 4.3930 4.4018 4.4018 4.5433 4.5433 4.5514 4.5514 4.8639 4.8639 4.8651 4.8651 5.3701 5.3701 5.3735 5.3735 5.4971 5.4971 5.4982 5.4982 6.1644 6.1644 6.1655 6.1655 7.5222 7.5222 7.5438 7.5438 8.0207 8.0207 8.0564 8.0564 10.2196 10.2196 10.2346 10.2346 10.4536 10.4536 10.4640 10.4640 10.8574 10.8574 k = 0.0556 0.0962 0.2727 ( 4914 PWs) bands (ev): -32.9336 -32.9336 -32.9334 -32.9334 -14.2063 -14.2063 -14.2062 -14.2062 -13.8430 -13.8430 -13.8428 -13.8428 -13.8122 -13.8122 -13.8120 -13.8120 -1.7908 -1.7908 -1.7907 -1.7907 4.4151 4.4151 4.4227 4.4227 4.5364 4.5364 4.5436 4.5436 4.8604 4.8604 4.8612 4.8612 5.3693 5.3693 5.3717 5.3717 5.4940 5.4940 5.4948 5.4948 6.1515 6.1515 6.1523 6.1523 7.6367 7.6367 7.6571 7.6571 8.0811 8.0811 8.1132 8.1132 10.1802 10.1802 10.1928 10.1928 10.4736 10.4736 10.4837 10.4837 10.8006 10.8006 k = 0.0486 0.0842 0.2727 ( 4914 PWs) bands (ev): -32.9336 -32.9336 -32.9335 -32.9335 -14.2061 -14.2061 -14.2060 -14.2060 -13.8429 -13.8429 -13.8427 -13.8427 -13.8117 -13.8117 -13.8115 -13.8115 -1.8056 -1.8056 -1.8055 -1.8055 4.4347 4.4347 4.4412 4.4412 4.5304 4.5304 4.5366 4.5366 4.8569 4.8569 4.8574 4.8574 5.3685 5.3685 5.3701 5.3701 5.4912 5.4912 5.4917 5.4917 6.1400 6.1400 6.1405 6.1405 7.7493 7.7493 7.7681 7.7681 8.1371 8.1371 8.1651 8.1651 10.1280 10.1280 10.1384 10.1384 10.4960 10.4960 10.5049 10.5049 10.7511 10.7511 k = 0.0417 0.0722 0.2727 ( 4914 PWs) bands (ev): -32.9337 -32.9337 -32.9335 -32.9335 -14.2060 -14.2060 -14.2058 -14.2058 -13.8428 -13.8428 -13.8426 -13.8426 -13.8113 -13.8113 -13.8111 -13.8111 -1.8185 -1.8185 -1.8185 -1.8185 4.4520 4.4520 4.4573 4.4573 4.5255 4.5255 4.5306 4.5306 4.8535 4.8535 4.8539 4.8539 5.3676 5.3676 5.3687 5.3687 5.4887 5.4887 5.4890 5.4890 6.1299 6.1299 6.1302 6.1302 7.8576 7.8576 7.8741 7.8741 8.1891 8.1891 8.2125 8.2125 10.0649 10.0649 10.0728 10.0728 10.5199 10.5199 10.5273 10.5273 10.7108 10.7108 k = 0.0347 0.0601 0.2727 ( 4916 PWs) bands (ev): -32.9337 -32.9337 -32.9335 -32.9335 -14.2058 -14.2058 -14.2056 -14.2056 -13.8428 -13.8428 -13.8426 -13.8426 -13.8109 -13.8109 -13.8107 -13.8107 -1.8295 -1.8295 -1.8294 -1.8294 4.4667 4.4667 4.4708 4.4708 4.5216 4.5216 4.5256 4.5256 4.8504 4.8504 4.8506 4.8506 5.3668 5.3668 5.3674 5.3674 5.4866 5.4866 5.4868 5.4868 6.1213 6.1213 6.1215 6.1215 7.9583 7.9583 7.9717 7.9717 8.2378 8.2378 8.2559 8.2559 9.9944 9.9944 10.0000 10.0000 10.5443 10.5443 10.5501 10.5501 10.6797 10.6797 k = 0.0278 0.0481 0.2727 ( 4916 PWs) bands (ev): -32.9337 -32.9337 -32.9335 -32.9335 -14.2057 -14.2057 -14.2055 -14.2055 -13.8427 -13.8427 -13.8425 -13.8425 -13.8106 -13.8106 -13.8105 -13.8105 -1.8385 -1.8385 -1.8384 -1.8384 4.4785 4.4785 4.4813 4.4813 4.5191 4.5191 4.5219 4.5219 4.8477 4.8477 4.8478 4.8478 5.3660 5.3660 5.3663 5.3663 5.4848 5.4848 5.4849 5.4849 6.1142 6.1142 6.1143 6.1143 8.0469 8.0469 8.0564 8.0564 8.2843 8.2843 8.2966 8.2966 9.9219 9.9219 9.9252 9.9252 10.5680 10.5680 10.5723 10.5723 10.6569 10.6569 k = 0.0208 0.0361 0.2727 ( 4916 PWs) bands (ev): -32.9337 -32.9337 -32.9336 -32.9336 -14.2056 -14.2056 -14.2054 -14.2054 -13.8427 -13.8427 -13.8425 -13.8425 -13.8104 -13.8104 -13.8102 -13.8102 -1.8455 -1.8455 -1.8455 -1.8455 4.4872 4.4872 4.4888 4.4888 4.5181 4.5181 4.5196 4.5196 4.8454 4.8454 4.8455 4.8455 5.3653 5.3653 5.3655 5.3655 5.4834 5.4834 5.4834 5.4834 6.1086 6.1086 6.1087 6.1087 8.1181 8.1181 8.1232 8.1232 8.3288 8.3288 8.3354 8.3354 9.8537 9.8537 9.8553 9.8553 10.5893 10.5893 10.5923 10.5923 10.6409 10.6409 k = 0.0139 0.0241 0.2727 ( 4922 PWs) bands (ev): -32.9338 -32.9338 -32.9336 -32.9336 -14.2056 -14.2056 -14.2054 -14.2054 -13.8427 -13.8427 -13.8425 -13.8425 -13.8103 -13.8103 -13.8101 -13.8101 -1.8505 -1.8505 -1.8505 -1.8505 4.4927 4.4927 4.4932 4.4932 4.5182 4.5182 4.5188 4.5188 4.8437 4.8437 4.8438 4.8438 5.3648 5.3648 5.3649 5.3649 5.4824 5.4824 5.4824 5.4824 6.1047 6.1047 6.1047 6.1047 8.1678 8.1678 8.1696 8.1696 8.3687 8.3687 8.3709 8.3709 9.7969 9.7969 9.7975 9.7975 10.6063 10.6063 10.6081 10.6081 10.6307 10.6307 k = 0.0069 0.0120 0.2727 ( 4910 PWs) bands (ev): -32.9338 -32.9338 -32.9336 -32.9336 -14.2055 -14.2055 -14.2053 -14.2053 -13.8426 -13.8426 -13.8424 -13.8424 -13.8101 -13.8101 -13.8100 -13.8100 -1.8536 -1.8536 -1.8535 -1.8535 4.4953 4.4953 4.4954 4.4954 4.5189 4.5189 4.5190 4.5190 4.8426 4.8426 4.8427 4.8427 5.3646 5.3646 5.3646 5.3646 5.4818 5.4818 5.4818 5.4818 6.1023 6.1023 6.1023 6.1023 8.1959 8.1959 8.1961 8.1961 8.3971 8.3971 8.3974 8.3974 9.7589 9.7589 9.7590 9.7590 10.6165 10.6165 10.6171 10.6171 10.6265 10.6265 k = 0.0000 0.0000 0.2727 ( 4918 PWs) bands (ev): -32.9338 -32.9338 -32.9336 -32.9336 -14.2055 -14.2055 -14.2053 -14.2053 -13.8426 -13.8426 -13.8424 -13.8424 -13.8101 -13.8101 -13.8100 -13.8100 -1.8546 -1.8546 -1.8546 -1.8546 4.4959 4.4959 4.4960 4.4960 4.5192 4.5192 4.5192 4.5192 4.8422 4.8422 4.8423 4.8423 5.3645 5.3645 5.3645 5.3645 5.4817 5.4817 5.4817 5.4817 6.1015 6.1015 6.1015 6.1015 8.2047 8.2047 8.2047 8.2047 8.4074 8.4074 8.4074 8.4074 9.7454 9.7454 9.7454 9.7454 10.6186 10.6186 10.6187 10.6187 10.6267 10.6267 k = 0.5000 0.2887 0.2727 ( 4936 PWs) bands (ev): -32.9319 -32.9319 -32.9318 -32.9318 -14.2160 -14.2160 -14.2158 -14.2158 -13.8501 -13.8501 -13.8499 -13.8499 -13.8286 -13.8286 -13.8284 -13.8284 -0.9349 -0.9349 -0.9348 -0.9348 3.1578 3.1578 3.1579 3.1579 4.8901 4.8901 4.8901 4.8901 5.0002 5.0002 5.0002 5.0002 5.3346 5.3346 5.3347 5.3347 5.4104 5.4104 5.4104 5.4104 5.6069 5.6069 5.6069 5.6069 6.5045 6.5045 6.5045 6.5045 7.2598 7.2598 7.2598 7.2598 8.8434 8.8434 8.8435 8.8435 10.0834 10.0834 10.0834 10.0834 12.1093 12.1094 k = 0.5000 0.2887 0.2591 ( 4926 PWs) bands (ev): -32.9320 -32.9320 -32.9317 -32.9317 -14.2165 -14.2165 -14.2153 -14.2153 -13.8510 -13.8510 -13.8490 -13.8490 -13.8286 -13.8286 -13.8284 -13.8284 -0.9353 -0.9353 -0.9345 -0.9345 3.1340 3.1340 3.1829 3.1829 4.8884 4.8884 4.8916 4.8916 4.9993 4.9993 5.0012 5.0012 5.3330 5.3330 5.3363 5.3363 5.4090 5.4090 5.4118 5.4118 5.6053 5.6053 5.6084 5.6084 6.4960 6.4960 6.5129 6.5129 7.2196 7.2196 7.2952 7.2952 8.8327 8.8327 8.8523 8.8523 10.0664 10.0664 10.1145 10.1145 12.0920 12.0922 k = 0.5000 0.2887 0.2455 ( 4920 PWs) bands (ev): -32.9321 -32.9321 -32.9316 -32.9316 -14.2170 -14.2170 -14.2148 -14.2148 -13.8521 -13.8521 -13.8481 -13.8481 -13.8285 -13.8285 -13.8283 -13.8283 -0.9357 -0.9357 -0.9342 -0.9342 3.1114 3.1114 3.2089 3.2089 4.8866 4.8866 4.8931 4.8931 4.9985 4.9985 5.0021 5.0021 5.3314 5.3314 5.3380 5.3380 5.4075 5.4075 5.4131 5.4131 5.6036 5.6036 5.6097 5.6097 6.4876 6.4876 6.5211 6.5211 7.1759 7.1759 7.3248 7.3248 8.8219 8.8219 8.8580 8.8580 10.0625 10.0625 10.1601 10.1601 12.0684 12.0684 k = 0.5000 0.2887 0.2318 ( 4910 PWs) bands (ev): -32.9322 -32.9322 -32.9315 -32.9315 -14.2175 -14.2175 -14.2143 -14.2143 -13.8531 -13.8531 -13.8472 -13.8472 -13.8284 -13.8284 -13.8281 -13.8281 -0.9362 -0.9362 -0.9340 -0.9340 3.0901 3.0901 3.2359 3.2359 4.8845 4.8845 4.8945 4.8945 4.9976 4.9976 5.0030 5.0030 5.3299 5.3299 5.3395 5.3395 5.4060 5.4060 5.4143 5.4143 5.6018 5.6018 5.6109 5.6109 6.4792 6.4792 6.5291 6.5291 7.1298 7.1298 7.3474 7.3474 8.8130 8.8130 8.8598 8.8598 10.0705 10.0705 10.2198 10.2198 12.0407 12.0407 k = 0.5000 0.2887 0.2182 ( 4916 PWs) bands (ev): -32.9323 -32.9323 -32.9314 -32.9314 -14.2181 -14.2181 -14.2138 -14.2138 -13.8542 -13.8542 -13.8465 -13.8465 -13.8283 -13.8283 -13.8279 -13.8279 -0.9368 -0.9368 -0.9338 -0.9338 3.0701 3.0701 3.2637 3.2637 4.8821 4.8821 4.8959 4.8959 4.9969 4.9969 5.0039 5.0039 5.3284 5.3284 5.3410 5.3410 5.4044 5.4044 5.4153 5.4153 5.5998 5.5998 5.6119 5.6119 6.4709 6.4709 6.5369 6.5369 7.0822 7.0822 7.3622 7.3622 8.8080 8.8080 8.8578 8.8578 10.0889 10.0889 10.2929 10.2929 12.0108 12.0108 k = 0.5000 0.2887 0.2045 ( 4924 PWs) bands (ev): -32.9325 -32.9325 -32.9313 -32.9313 -14.2187 -14.2187 -14.2133 -14.2133 -13.8553 -13.8553 -13.8458 -13.8458 -13.8281 -13.8281 -13.8276 -13.8276 -0.9373 -0.9373 -0.9337 -0.9337 3.0514 3.0514 3.2921 3.2921 4.8793 4.8793 4.8973 4.8973 4.9961 4.9961 5.0048 5.0048 5.3271 5.3271 5.3423 5.3423 5.4028 5.4028 5.4163 5.4163 5.5977 5.5977 5.6127 5.6127 6.4628 6.4628 6.5442 6.5442 7.0342 7.0342 7.3689 7.3689 8.8082 8.8082 8.8525 8.8525 10.1159 10.1159 10.3782 10.3782 11.9802 11.9802 k = 0.5000 0.2887 0.1909 ( 4928 PWs) bands (ev): -32.9326 -32.9326 -32.9311 -32.9311 -14.2192 -14.2192 -14.2129 -14.2129 -13.8563 -13.8563 -13.8453 -13.8453 -13.8279 -13.8279 -13.8272 -13.8272 -0.9379 -0.9379 -0.9336 -0.9336 3.0341 3.0341 3.3210 3.3210 4.8762 4.8762 4.8987 4.8987 4.9953 4.9953 5.0056 5.0056 5.3259 5.3259 5.3435 5.3435 5.4013 5.4013 5.4172 5.4172 5.5956 5.5956 5.6133 5.6133 6.4550 6.4550 6.5509 6.5509 6.9866 6.9866 7.3674 7.3674 8.8137 8.8137 8.8453 8.8453 10.1502 10.1502 10.4742 10.4742 11.9502 11.9502 k = 0.5000 0.2887 0.1773 ( 4922 PWs) bands (ev): -32.9327 -32.9327 -32.9310 -32.9310 -14.2197 -14.2197 -14.2124 -14.2124 -13.8573 -13.8573 -13.8448 -13.8448 -13.8277 -13.8277 -13.8267 -13.8267 -0.9386 -0.9386 -0.9336 -0.9336 3.0182 3.0182 3.3501 3.3501 4.8727 4.8727 4.9003 4.9003 4.9947 4.9947 5.0065 5.0065 5.3248 5.3248 5.3444 5.3444 5.3998 5.3998 5.4179 5.4179 5.5935 5.5935 5.6138 5.6138 6.4475 6.4475 6.5570 6.5570 6.9402 6.9402 7.3584 7.3584 8.8196 8.8196 8.8423 8.8423 10.1903 10.1903 10.5797 10.5797 11.9211 11.9211 k = 0.5000 0.2887 0.1636 ( 4934 PWs) bands (ev): -32.9328 -32.9328 -32.9309 -32.9309 -14.2202 -14.2202 -14.2121 -14.2121 -13.8583 -13.8583 -13.8444 -13.8444 -13.8275 -13.8275 -13.8263 -13.8263 -0.9392 -0.9392 -0.9336 -0.9336 3.0036 3.0036 3.3792 3.3792 4.8688 4.8688 4.9019 4.9019 4.9941 4.9941 5.0073 5.0073 5.3239 5.3239 5.3451 5.3451 5.3983 5.3983 5.4186 5.4186 5.5913 5.5913 5.6140 5.6140 6.4403 6.4403 6.5623 6.5623 6.8957 6.8957 7.3430 7.3430 8.8137 8.8137 8.8559 8.8559 10.2348 10.2348 10.6930 10.6930 11.8935 11.8935 k = 0.5000 0.2887 0.1500 ( 4930 PWs) bands (ev): -32.9329 -32.9329 -32.9309 -32.9309 -14.2208 -14.2208 -14.2116 -14.2116 -13.8593 -13.8593 -13.8441 -13.8441 -13.8273 -13.8273 -13.8257 -13.8257 -0.9398 -0.9398 -0.9337 -0.9337 2.9903 2.9903 3.4079 3.4079 4.8645 4.8645 4.9037 4.9037 4.9936 4.9936 5.0080 5.0080 5.3233 5.3233 5.3455 5.3455 5.3970 5.3970 5.4192 5.4192 5.5892 5.5892 5.6141 5.6141 6.4335 6.4335 6.5664 6.5664 6.8538 6.8538 7.3223 7.3223 8.8018 8.8018 8.8800 8.8800 10.2826 10.2826 10.8130 10.8130 11.8677 11.8677 k = 0.5000 0.2887 0.1364 ( 4944 PWs) bands (ev): -32.9329 -32.9329 -32.9308 -32.9308 -14.2213 -14.2213 -14.2113 -14.2113 -13.8602 -13.8602 -13.8439 -13.8439 -13.8271 -13.8271 -13.8251 -13.8251 -0.9404 -0.9404 -0.9338 -0.9338 2.9784 2.9784 3.4361 3.4361 4.8599 4.8599 4.9055 4.9055 4.9930 4.9930 5.0087 5.0087 5.3228 5.3228 5.3455 5.3455 5.3958 5.3958 5.4197 5.4197 5.5872 5.5872 5.6141 5.6141 6.4271 6.4271 6.5692 6.5692 6.8153 6.8153 7.2980 7.2980 8.7886 8.7886 8.9093 8.9093 10.3325 10.3325 10.9382 10.9382 11.8438 11.8438 k = 0.5000 0.2887 0.1227 ( 4948 PWs) bands (ev): -32.9330 -32.9330 -32.9307 -32.9307 -14.2217 -14.2217 -14.2110 -14.2110 -13.8611 -13.8611 -13.8437 -13.8437 -13.8269 -13.8269 -13.8245 -13.8245 -0.9410 -0.9410 -0.9339 -0.9339 2.9677 2.9677 3.4633 3.4633 4.8551 4.8551 4.9074 4.9074 4.9926 4.9926 5.0093 5.0093 5.3225 5.3225 5.3453 5.3453 5.3947 5.3947 5.4200 5.4200 5.5852 5.5852 5.6139 5.6139 6.4212 6.4212 6.5702 6.5702 6.7809 6.7809 7.2715 7.2715 8.7753 8.7753 8.9417 8.9417 10.3832 10.3832 11.0675 11.0675 11.8220 11.8220 k = 0.5000 0.2887 0.1091 ( 4948 PWs) bands (ev): -32.9331 -32.9331 -32.9306 -32.9306 -14.2221 -14.2221 -14.2107 -14.2107 -13.8618 -13.8618 -13.8436 -13.8436 -13.8267 -13.8267 -13.8240 -13.8240 -0.9416 -0.9416 -0.9341 -0.9341 2.9583 2.9583 3.4891 3.4891 4.8501 4.8501 4.9093 4.9093 4.9922 4.9922 5.0099 5.0099 5.3225 5.3225 5.3447 5.3447 5.3938 5.3938 5.4203 5.4203 5.5833 5.5833 5.6137 5.6137 6.4158 6.4158 6.5690 6.5690 6.7514 6.7514 7.2442 7.2442 8.7625 8.7625 8.9755 8.9755 10.4338 10.4338 11.1995 11.1995 11.8023 11.8023 k = 0.5000 0.2887 0.0955 ( 4960 PWs) bands (ev): -32.9332 -32.9332 -32.9306 -32.9306 -14.2225 -14.2225 -14.2104 -14.2104 -13.8625 -13.8625 -13.8435 -13.8435 -13.8266 -13.8266 -13.8234 -13.8234 -0.9421 -0.9421 -0.9342 -0.9342 2.9500 2.9500 3.5132 3.5132 4.8451 4.8451 4.9111 4.9111 4.9918 4.9918 5.0104 5.0104 5.3227 5.3227 5.3439 5.3439 5.3930 5.3930 5.4205 5.4205 5.5816 5.5816 5.6133 5.6133 6.4110 6.4110 6.5653 6.5653 6.7273 6.7273 7.2174 7.2174 8.7505 8.7505 9.0093 9.0093 10.4829 10.4829 11.3328 11.3328 11.7849 11.7849 k = 0.5000 0.2887 0.0818 ( 4968 PWs) bands (ev): -32.9332 -32.9332 -32.9305 -32.9305 -14.2229 -14.2229 -14.2102 -14.2102 -13.8631 -13.8631 -13.8434 -13.8434 -13.8265 -13.8265 -13.8229 -13.8229 -0.9426 -0.9426 -0.9343 -0.9343 2.9430 2.9430 3.5352 3.5352 4.8402 4.8402 4.9129 4.9129 4.9915 4.9915 5.0108 5.0108 5.3231 5.3231 5.3428 5.3428 5.3925 5.3925 5.4207 5.4207 5.5800 5.5800 5.6129 5.6129 6.4067 6.4067 6.5591 6.5591 6.7089 6.7089 7.1921 7.1921 8.7397 8.7397 9.0416 9.0416 10.5294 10.5294 11.4654 11.4654 11.7698 11.7698 k = 0.5000 0.2887 0.0682 ( 4958 PWs) bands (ev): -32.9333 -32.9333 -32.9305 -32.9305 -14.2231 -14.2231 -14.2100 -14.2100 -13.8636 -13.8636 -13.8434 -13.8434 -13.8263 -13.8263 -13.8225 -13.8225 -0.9430 -0.9430 -0.9345 -0.9345 2.9371 2.9371 3.5547 3.5547 4.8356 4.8356 4.9145 4.9145 4.9912 4.9912 5.0112 5.0112 5.3237 5.3237 5.3415 5.3415 5.3921 5.3921 5.4208 5.4208 5.5787 5.5787 5.6125 5.6125 6.4031 6.4031 6.5510 6.5510 6.6959 6.6959 7.1693 7.1693 8.7303 8.7303 9.0712 9.0712 10.5720 10.5720 11.5944 11.5944 11.7570 11.7570 k = 0.5000 0.2887 0.0545 ( 4958 PWs) bands (ev): -32.9333 -32.9333 -32.9304 -32.9304 -14.2234 -14.2234 -14.2099 -14.2099 -13.8640 -13.8640 -13.8434 -13.8434 -13.8262 -13.8262 -13.8221 -13.8221 -0.9434 -0.9434 -0.9346 -0.9346 2.9323 2.9323 3.5713 3.5713 4.8316 4.8316 4.9160 4.9160 4.9910 4.9910 5.0115 5.0115 5.3244 5.3244 5.3401 5.3401 5.3917 5.3917 5.4209 5.4209 5.5775 5.5775 5.6121 5.6121 6.4000 6.4000 6.5422 6.5422 6.6873 6.6873 7.1497 7.1497 8.7224 8.7224 9.0970 9.0970 10.6093 10.6093 11.7139 11.7139 11.7477 11.7477 k = 0.5000 0.2887 0.0409 ( 4962 PWs) bands (ev): -32.9333 -32.9333 -32.9304 -32.9304 -14.2236 -14.2236 -14.2097 -14.2097 -13.8644 -13.8644 -13.8433 -13.8433 -13.8262 -13.8262 -13.8218 -13.8218 -0.9436 -0.9436 -0.9347 -0.9347 2.9287 2.9287 3.5846 3.5846 4.8282 4.8282 4.9172 4.9172 4.9909 4.9909 5.0117 5.0117 5.3252 5.3252 5.3387 5.3387 5.3915 5.3915 5.4209 5.4209 5.5766 5.5766 5.6118 5.6118 6.3976 6.3976 6.5338 6.5338 6.6819 6.6819 7.1339 7.1339 8.7161 8.7161 9.1181 9.1181 10.6400 10.6400 11.7373 11.7373 11.8177 11.8177 k = 0.5000 0.2887 0.0273 ( 4958 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2237 -14.2237 -14.2096 -14.2096 -13.8646 -13.8646 -13.8433 -13.8433 -13.8261 -13.8261 -13.8216 -13.8216 -0.9438 -0.9438 -0.9347 -0.9347 2.9260 2.9260 3.5943 3.5943 4.8257 4.8257 4.9181 4.9181 4.9908 4.9908 5.0119 5.0119 5.3261 5.3261 5.3374 5.3374 5.3914 5.3914 5.4209 5.4209 5.5760 5.5760 5.6115 5.6115 6.3959 6.3959 6.5271 6.5271 6.6787 6.6787 7.1223 7.1223 8.7115 8.7115 9.1338 9.1338 10.6630 10.6630 11.7317 11.7317 11.8848 11.8848 k = 0.5000 0.2887 0.0136 ( 4954 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2238 -14.2238 -14.2096 -14.2096 -13.8647 -13.8647 -13.8433 -13.8433 -13.8260 -13.8260 -13.8214 -13.8214 -0.9440 -0.9440 -0.9348 -0.9348 2.9245 2.9245 3.6003 3.6003 4.8241 4.8241 4.9187 4.9187 4.9907 4.9907 5.0120 5.0120 5.3267 5.3267 5.3365 5.3365 5.3913 5.3913 5.4209 5.4209 5.5757 5.5757 5.6113 5.6113 6.3949 6.3949 6.5228 6.5228 6.6770 6.6770 7.1152 7.1152 8.7088 8.7088 9.1434 9.1434 10.6772 10.6772 11.7282 11.7282 11.9158 11.9158 k = 0.5000 0.2887-0.0000 ( 4946 PWs) bands (ev): -32.9334 -32.9334 -32.9304 -32.9304 -14.2238 -14.2238 -14.2095 -14.2095 -13.8648 -13.8648 -13.8433 -13.8433 -13.8260 -13.8260 -13.8214 -13.8214 -0.9440 -0.9440 -0.9348 -0.9348 2.9240 2.9240 3.6023 3.6023 4.8236 4.8236 4.9189 4.9189 4.9907 4.9907 5.0121 5.0121 5.3270 5.3270 5.3362 5.3362 5.3913 5.3913 5.4210 5.4210 5.5755 5.5755 5.6112 5.6112 6.3946 6.3946 6.5213 6.5213 6.6765 6.6765 7.1129 7.1129 8.7079 8.7079 9.1467 9.1467 10.6821 10.6821 11.7271 11.7271 11.9239 11.9239 k = 0.3333 0.5774-0.0000 ( 4971 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2244 -14.2244 -14.2110 -14.2110 -13.8627 -13.8627 -13.8423 -13.8423 -13.8310 -13.8310 -13.8268 -13.8268 -0.8043 -0.8043 -0.8025 -0.8025 3.4179 3.4179 3.6025 3.6025 4.2044 4.2044 4.8861 4.8861 4.9462 4.9462 5.1159 5.1159 5.2229 5.2229 5.2983 5.2983 5.3395 5.3395 5.3663 5.3663 5.5151 5.5151 5.5437 5.5437 5.6317 5.6317 5.6728 5.6728 6.9333 6.9333 6.9717 6.9717 9.9959 9.9959 10.0034 10.0034 11.0889 11.0889 11.1770 11.1770 11.1907 11.1907 k = 0.3333 0.5774 0.0136 ( 4965 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2243 -14.2243 -14.2110 -14.2110 -13.8627 -13.8627 -13.8422 -13.8422 -13.8310 -13.8310 -13.8268 -13.8268 -0.8042 -0.8042 -0.8025 -0.8025 3.4176 3.4176 3.6021 3.6021 4.2055 4.2055 4.8860 4.8860 4.9460 4.9460 5.1157 5.1157 5.2206 5.2206 5.2988 5.2988 5.3394 5.3394 5.3663 5.3663 5.5156 5.5156 5.5438 5.5438 5.6317 5.6317 5.6727 5.6727 6.9357 6.9357 6.9741 6.9741 9.9883 9.9883 9.9960 9.9960 11.0954 11.0954 11.1825 11.1825 11.1943 11.1943 k = 0.3333 0.5774 0.0273 ( 4959 PWs) bands (ev): -32.9332 -32.9332 -32.9301 -32.9301 -14.2242 -14.2242 -14.2111 -14.2111 -13.8625 -13.8625 -13.8422 -13.8422 -13.8310 -13.8310 -13.8270 -13.8270 -0.8042 -0.8042 -0.8024 -0.8024 3.4168 3.4168 3.6011 3.6011 4.2090 4.2090 4.8855 4.8855 4.9453 4.9453 5.1150 5.1150 5.2141 5.2141 5.3004 5.3004 5.3391 5.3391 5.3664 5.3664 5.5172 5.5172 5.5440 5.5440 5.6315 5.6315 5.6724 5.6724 6.9429 6.9429 6.9812 6.9812 9.9659 9.9659 9.9743 9.9743 11.1145 11.1145 11.1968 11.1968 11.2062 11.2062 k = 0.3333 0.5774 0.0409 ( 4953 PWs) bands (ev): -32.9331 -32.9331 -32.9302 -32.9302 -14.2241 -14.2241 -14.2111 -14.2111 -13.8622 -13.8622 -13.8421 -13.8421 -13.8311 -13.8311 -13.8273 -13.8273 -0.8041 -0.8041 -0.8023 -0.8023 3.4153 3.4153 3.5993 3.5993 4.2148 4.2148 4.8848 4.8848 4.9442 4.9442 5.1136 5.1136 5.2038 5.2038 5.3026 5.3026 5.3387 5.3387 5.3666 5.3666 5.5197 5.5197 5.5443 5.5443 5.6311 5.6311 5.6719 5.6719 6.9548 6.9548 6.9930 6.9930 9.9304 9.9304 9.9397 9.9397 11.1445 11.1445 11.2142 11.2142 11.2227 11.2227 k = 0.3333 0.5774 0.0545 ( 4953 PWs) bands (ev): -32.9331 -32.9331 -32.9302 -32.9302 -14.2239 -14.2239 -14.2113 -14.2113 -13.8619 -13.8619 -13.8420 -13.8420 -13.8312 -13.8312 -13.8277 -13.8277 -0.8040 -0.8040 -0.8022 -0.8022 3.4134 3.4134 3.5970 3.5970 4.2228 4.2228 4.8838 4.8838 4.9427 4.9427 5.1114 5.1114 5.1905 5.1905 5.3051 5.3051 5.3383 5.3383 5.3667 5.3667 5.5229 5.5229 5.5447 5.5447 5.6305 5.6305 5.6713 5.6713 6.9711 6.9711 7.0093 7.0093 9.8840 9.8840 9.8941 9.8941 11.1835 11.1835 11.2323 11.2323 11.2356 11.2356 k = 0.3333 0.5774 0.0682 ( 4953 PWs) bands (ev): -32.9331 -32.9331 -32.9302 -32.9302 -14.2237 -14.2237 -14.2114 -14.2114 -13.8615 -13.8615 -13.8418 -13.8418 -13.8314 -13.8314 -13.8282 -13.8282 -0.8039 -0.8039 -0.8021 -0.8021 3.4111 3.4111 3.5941 3.5941 4.2330 4.2330 4.8826 4.8826 4.9408 4.9408 5.1078 5.1078 5.1754 5.1754 5.3078 5.3078 5.3378 5.3378 5.3669 5.3669 5.5266 5.5266 5.5452 5.5452 5.6298 5.6298 5.6705 5.6705 6.9918 6.9918 7.0299 7.0299 9.8289 9.8289 9.8398 9.8398 11.2295 11.2295 11.2436 11.2436 11.2612 11.2612 k = 0.3333 0.5774 0.0818 ( 4950 PWs) bands (ev): -32.9330 -32.9330 -32.9303 -32.9303 -14.2234 -14.2234 -14.2116 -14.2116 -13.8609 -13.8609 -13.8416 -13.8416 -13.8316 -13.8316 -13.8289 -13.8289 -0.8037 -0.8037 -0.8019 -0.8019 3.4083 3.4083 3.5907 3.5907 4.2455 4.2455 4.8811 4.8811 4.9386 4.9386 5.1016 5.1016 5.1600 5.1600 5.3105 5.3105 5.3373 5.3373 5.3670 5.3670 5.5307 5.5307 5.5458 5.5458 5.6290 5.6290 5.6695 5.6695 7.0164 7.0164 7.0545 7.0545 9.7673 9.7673 9.7786 9.7786 11.2568 11.2568 11.2804 11.2804 11.2915 11.2915 k = 0.3333 0.5774 0.0955 ( 4956 PWs) bands (ev): -32.9330 -32.9330 -32.9303 -32.9303 -14.2232 -14.2232 -14.2118 -14.2118 -13.8603 -13.8603 -13.8414 -13.8414 -13.8318 -13.8318 -13.8296 -13.8296 -0.8036 -0.8036 -0.8018 -0.8018 3.4052 3.4052 3.5869 3.5869 4.2600 4.2600 4.8795 4.8795 4.9359 4.9359 5.0908 5.0908 5.1466 5.1466 5.3131 5.3131 5.3369 5.3369 5.3670 5.3670 5.5350 5.5350 5.5463 5.5463 5.6280 5.6280 5.6685 5.6685 7.0447 7.0447 7.0828 7.0828 9.7010 9.7010 9.7125 9.7125 11.2722 11.2722 11.3255 11.3255 11.3349 11.3349 k = 0.3333 0.5774 0.1091 ( 4977 PWs) bands (ev): -32.9329 -32.9329 -32.9304 -32.9304 -14.2228 -14.2228 -14.2121 -14.2121 -13.8596 -13.8596 -13.8412 -13.8412 -13.8321 -13.8321 -13.8305 -13.8305 -0.8034 -0.8034 -0.8016 -0.8016 3.4018 3.4018 3.5828 3.5828 4.2765 4.2765 4.8778 4.8778 4.9328 4.9328 5.0742 5.0742 5.1371 5.1371 5.3156 5.3156 5.3364 5.3364 5.3670 5.3670 5.5393 5.5393 5.5470 5.5470 5.6269 5.6269 5.6674 5.6674 7.0761 7.0761 7.1144 7.1144 9.6318 9.6318 9.6430 9.6430 11.2896 11.2896 11.3626 11.3626 11.3916 11.3916 k = 0.3333 0.5774 0.1227 ( 4995 PWs) bands (ev): -32.9328 -32.9328 -32.9305 -32.9305 -14.2225 -14.2225 -14.2124 -14.2124 -13.8588 -13.8588 -13.8410 -13.8410 -13.8324 -13.8324 -13.8315 -13.8315 -0.8032 -0.8032 -0.8014 -0.8014 3.3983 3.3983 3.5785 3.5785 4.2950 4.2950 4.8760 4.8760 4.9292 4.9292 5.0525 5.0525 5.1312 5.1312 5.3179 5.3179 5.3361 5.3361 5.3669 5.3669 5.5436 5.5436 5.5476 5.5476 5.6257 5.6257 5.6662 5.6662 7.1103 7.1103 7.1488 7.1488 9.5609 9.5609 9.5717 9.5717 11.3090 11.3090 11.4015 11.4015 11.4497 11.4497 k = 0.3333 0.5774 0.1364 ( 4983 PWs) bands (ev): -32.9327 -32.9327 -32.9306 -32.9306 -14.2221 -14.2221 -14.2127 -14.2127 -13.8579 -13.8579 -13.8407 -13.8407 -13.8327 -13.8327 -13.8324 -13.8324 -0.8030 -0.8030 -0.8012 -0.8012 3.3947 3.3947 3.5741 3.5741 4.3152 4.3152 4.8743 4.8743 4.9248 4.9248 5.0278 5.0278 5.1276 5.1276 5.3202 5.3202 5.3359 5.3359 5.3668 5.3668 5.5478 5.5478 5.5483 5.5483 5.6245 5.6245 5.6651 5.6651 7.1465 7.1465 7.1854 7.1854 9.4898 9.4898 9.4998 9.4998 11.3302 11.3302 11.4410 11.4410 11.5085 11.5086 k = 0.3333 0.5774 0.1500 ( 4980 PWs) bands (ev): -32.9327 -32.9327 -32.9307 -32.9307 -14.2216 -14.2216 -14.2130 -14.2130 -13.8569 -13.8569 -13.8403 -13.8403 -13.8336 -13.8336 -13.8330 -13.8330 -0.8028 -0.8028 -0.8010 -0.8010 3.3911 3.3911 3.5697 3.5697 4.3372 4.3372 4.8726 4.8726 4.9188 4.9188 5.0024 5.0024 5.1252 5.1252 5.3222 5.3222 5.3358 5.3358 5.3667 5.3667 5.5490 5.5490 5.5519 5.5519 5.6232 5.6232 5.6640 5.6640 7.1841 7.1841 7.2236 7.2236 9.4196 9.4196 9.4286 9.4286 11.3530 11.3530 11.4796 11.4796 11.5675 11.5675 k = 0.3333 0.5774 0.1636 ( 4968 PWs) bands (ev): -32.9326 -32.9326 -32.9307 -32.9307 -14.2211 -14.2211 -14.2133 -14.2133 -13.8558 -13.8558 -13.8400 -13.8400 -13.8347 -13.8347 -13.8333 -13.8333 -0.8026 -0.8026 -0.8008 -0.8008 3.3877 3.3877 3.5655 3.5655 4.3605 4.3605 4.8710 4.8710 4.9096 4.9096 4.9786 4.9786 5.1235 5.1235 5.3240 5.3240 5.3358 5.3358 5.3666 5.3666 5.5497 5.5497 5.5557 5.5557 5.6219 5.6219 5.6629 5.6629 7.2222 7.2222 7.2625 7.2625 9.3514 9.3514 9.3593 9.3593 11.3773 11.3773 11.5157 11.5157 11.6261 11.6261 k = 0.3333 0.5774 0.1773 ( 4968 PWs) bands (ev): -32.9325 -32.9325 -32.9308 -32.9308 -14.2206 -14.2206 -14.2137 -14.2137 -13.8547 -13.8547 -13.8396 -13.8396 -13.8360 -13.8360 -13.8337 -13.8337 -0.8024 -0.8024 -0.8006 -0.8006 3.3844 3.3844 3.5615 3.5615 4.3851 4.3851 4.8695 4.8695 4.8946 4.8946 4.9598 4.9598 5.1222 5.1222 5.3254 5.3254 5.3359 5.3359 5.3664 5.3664 5.5504 5.5504 5.5592 5.5592 5.6206 5.6206 5.6619 5.6619 7.2601 7.2601 7.3012 7.3012 9.2866 9.2866 9.2931 9.2931 11.4027 11.4027 11.5474 11.5474 11.6839 11.6839 k = 0.3333 0.5774 0.1909 ( 4962 PWs) bands (ev): -32.9323 -32.9323 -32.9309 -32.9309 -14.2201 -14.2201 -14.2141 -14.2141 -13.8535 -13.8535 -13.8392 -13.8392 -13.8372 -13.8372 -13.8341 -13.8341 -0.8022 -0.8022 -0.8004 -0.8004 3.3813 3.3813 3.5579 3.5579 4.4105 4.4105 4.8681 4.8681 4.8728 4.8728 4.9476 4.9476 5.1213 5.1213 5.3266 5.3266 5.3362 5.3362 5.3662 5.3662 5.5509 5.5509 5.5624 5.5624 5.6193 5.6193 5.6611 5.6611 7.2966 7.2966 7.3386 7.3386 9.2264 9.2264 9.2314 9.2314 11.4289 11.4289 11.5733 11.5733 11.7406 11.7406 k = 0.3333 0.5774 0.2045 ( 4962 PWs) bands (ev): -32.9322 -32.9322 -32.9311 -32.9311 -14.2196 -14.2196 -14.2145 -14.2145 -13.8523 -13.8523 -13.8388 -13.8388 -13.8386 -13.8386 -13.8345 -13.8345 -0.8021 -0.8021 -0.8002 -0.8002 3.3787 3.3787 3.5546 3.5546 4.4363 4.4363 4.8466 4.8466 4.8669 4.8669 4.9405 4.9405 5.1205 5.1205 5.3275 5.3275 5.3367 5.3367 5.3660 5.3660 5.5514 5.5514 5.5652 5.5652 5.6181 5.6181 5.6603 5.6603 7.3306 7.3306 7.3736 7.3736 9.1721 9.1721 9.1756 9.1756 11.4556 11.4556 11.5921 11.5921 11.7955 11.7955 k = 0.3333 0.5774 0.2182 ( 4962 PWs) bands (ev): -32.9321 -32.9321 -32.9312 -32.9312 -14.2191 -14.2191 -14.2150 -14.2150 -13.8510 -13.8510 -13.8399 -13.8399 -13.8384 -13.8384 -13.8349 -13.8349 -0.8019 -0.8019 -0.8001 -0.8001 3.3764 3.3764 3.5518 3.5518 4.4618 4.4618 4.8191 4.8191 4.8659 4.8659 4.9362 4.9362 5.1199 5.1199 5.3280 5.3280 5.3371 5.3371 5.3658 5.3658 5.5519 5.5519 5.5676 5.5676 5.6169 5.6169 5.6597 5.6597 7.3609 7.3609 7.4049 7.4049 9.1250 9.1250 9.1271 9.1271 11.4823 11.4823 11.6031 11.6031 11.8480 11.8480 k = 0.3333 0.5774 0.2318 ( 4950 PWs) bands (ev): -32.9320 -32.9320 -32.9313 -32.9313 -14.2186 -14.2186 -14.2154 -14.2154 -13.8497 -13.8497 -13.8413 -13.8413 -13.8379 -13.8379 -13.8353 -13.8353 -0.8018 -0.8018 -0.8000 -0.8000 3.3745 3.3745 3.5496 3.5496 4.4857 4.4857 4.7928 4.7928 4.8651 4.8651 4.9335 4.9335 5.1196 5.1196 5.3284 5.3284 5.3376 5.3376 5.3657 5.3657 5.5522 5.5522 5.5696 5.5696 5.6160 5.6160 5.6592 5.6592 7.3862 7.3862 7.4312 7.4312 9.0866 9.0866 9.0874 9.0874 11.5084 11.5084 11.6063 11.6063 11.8966 11.8967 k = 0.3333 0.5774 0.2455 ( 4950 PWs) bands (ev): -32.9319 -32.9319 -32.9314 -32.9314 -14.2180 -14.2180 -14.2159 -14.2159 -13.8483 -13.8483 -13.8427 -13.8427 -13.8375 -13.8375 -13.8357 -13.8357 -0.8017 -0.8017 -0.7999 -0.7999 3.3732 3.3732 3.5480 3.5480 4.5064 4.5064 4.7701 4.7701 4.8645 4.8645 4.9317 4.9317 5.1193 5.1193 5.3287 5.3287 5.3380 5.3380 5.3656 5.3656 5.5525 5.5525 5.5711 5.5711 5.6153 5.6153 5.6588 5.6588 7.4053 7.4053 7.4511 7.4511 9.0579 9.0579 9.0581 9.0581 11.5332 11.5332 11.6022 11.6022 11.9388 11.9388 k = 0.3333 0.5774 0.2591 ( 4956 PWs) bands (ev): -32.9318 -32.9318 -32.9315 -32.9315 -14.2175 -14.2175 -14.2164 -14.2164 -13.8470 -13.8470 -13.8441 -13.8441 -13.8371 -13.8371 -13.8362 -13.8362 -0.8017 -0.8017 -0.7999 -0.7999 3.3724 3.3724 3.5470 3.5470 4.5210 4.5210 4.7542 4.7542 4.8641 4.8641 4.9308 4.9308 5.1191 5.1191 5.3288 5.3288 5.3383 5.3383 5.3655 5.3655 5.5526 5.5526 5.5719 5.5719 5.6148 5.6148 5.6586 5.6586 7.4172 7.4172 7.4635 7.4635 9.0396 9.0396 9.0404 9.0404 11.5559 11.5559 11.5918 11.5918 11.9696 11.9696 k = 0.3333 0.5774 0.2727 ( 4962 PWs) bands (ev): -32.9317 -32.9317 -32.9316 -32.9316 -14.2171 -14.2171 -14.2169 -14.2169 -13.8457 -13.8457 -13.8455 -13.8455 -13.8368 -13.8368 -13.8365 -13.8365 -0.8017 -0.8017 -0.7999 -0.7999 3.3721 3.3721 3.5466 3.5466 4.5263 4.5263 4.7484 4.7484 4.8640 4.8640 4.9305 4.9305 5.1190 5.1190 5.3288 5.3288 5.3383 5.3383 5.3654 5.3654 5.5526 5.5526 5.5722 5.5722 5.6146 5.6146 5.6585 5.6585 7.4213 7.4213 7.4677 7.4677 9.0334 9.0334 9.0345 9.0345 11.5730 11.5730 11.5787 11.5787 11.9813 11.9813 Writing output data file CaCuSb.save init_run : 0.36s CPU 1.29s WALL ( 1 calls) electrons : 364.46s CPU 369.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.21s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 364.45s CPU 369.93s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.11s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 295 calls) cegterg : 345.43s CPU 349.62s WALL ( 933 calls) Called by sum_band: Called by *egterg: h_psi : 153.84s CPU 156.29s WALL ( 17232 calls) s_psi : 16.02s CPU 15.78s WALL ( 17232 calls) g_psi : 0.46s CPU 0.50s WALL ( 16004 calls) cdiaghg : 144.79s CPU 146.89s WALL ( 16299 calls) cegterg:over : 15.30s CPU 15.36s WALL ( 16004 calls) cegterg:upda : 15.61s CPU 15.53s WALL ( 16004 calls) cegterg:last : 6.13s CPU 6.14s WALL ( 1966 calls) cdiaghg:chol : 8.53s CPU 8.39s WALL ( 16299 calls) cdiaghg:inve : 5.58s CPU 5.84s WALL ( 16299 calls) cdiaghg:para : 8.79s CPU 9.21s WALL ( 32598 calls) Called by h_psi: h_psi:vloc : 119.96s CPU 121.88s WALL ( 17232 calls) h_psi:vnl : 33.40s CPU 33.83s WALL ( 17232 calls) add_vuspsi : 18.22s CPU 18.25s WALL ( 17232 calls) General routines calbec : 15.11s CPU 15.54s WALL ( 17232 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 111.57s CPU 113.29s WALL ( 1424464 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.26s WALL ( 590 calls) Parallel routines fft_scatter : 41.86s CPU 42.92s WALL ( 1424487 calls) PWSCF : 6m24.06s CPU 6m47.96s WALL This run was terminated on: 16:45:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=