Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:27:47 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: ./CaxZnSbx2.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 Zn.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 37 24 7 1851 1002 157 Max 38 25 8 1858 1019 166 Sum 1345 889 253 66723 36313 5709 bravais-lattice index = 14 lattice parameter (alat) = 8.3923 a.u. unit-cell volume = 860.3206 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.392273 celldm(2)= 1.000000 celldm(3)= 1.680703 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 1.680703 ) 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 0.594989 ) 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 Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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) Zn 12.00 65.40900 Zn( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [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= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0033223 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0033223 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0033223 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0033223 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0033223 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0033223 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0033223 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0033223 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0033223 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0033223 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0033223 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0033223 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0033223 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0033223 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0033223 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0033223 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0033223 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0033223 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0033223 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0033223 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0033223 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0033223 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0033223 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0033223 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0033223 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0033223 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0033223 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0033223 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0033223 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0033223 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0033223 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0033223 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0033223 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033223 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033223 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033223 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033223 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033223 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033223 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033223 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033223 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033223 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033223 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033223 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033223 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033223 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033223 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033223 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033223 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033223 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033223 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033223 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033223 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033223 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 69) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033223 k( 70) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033223 k( 71) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033223 k( 72) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033223 k( 73) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033223 k( 74) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033223 k( 75) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033223 k( 76) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033223 k( 77) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033223 k( 78) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033223 k( 79) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033223 k( 80) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033223 k( 81) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033223 k( 82) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033223 k( 83) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033223 k( 84) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033223 k( 85) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033223 k( 86) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033223 k( 87) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033223 k( 88) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033223 k( 89) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033223 k( 90) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033223 k( 91) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033223 k( 92) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033223 k( 93) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033223 k( 94) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033223 k( 95) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033223 k( 96) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033223 k( 97) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033223 k( 98) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033223 k( 99) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033223 k( 100) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033223 k( 102) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033223 k( 103) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033223 k( 104) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033223 k( 105) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033223 k( 106) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033223 k( 107) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033223 k( 108) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033223 k( 109) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033223 k( 112) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033223 k( 113) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033223 k( 114) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033223 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 118) = ( 0.0000000 0.0000000 0.0135225), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0270450), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0405675), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0540899), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.0676124), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.0811349), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.0946574), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.1081799), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.1217024), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.1352248), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.1487473), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.1622698), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.1757923), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.1893148), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.2028373), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.2163597), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.2298822), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.2434047), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.2569272), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.2704497), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.2839722), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.2974946), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.2974946), wk = 0.0033223 k( 141) = ( 0.0121951 0.0070409 0.2974946), wk = 0.0033223 k( 142) = ( 0.0243902 0.0140817 0.2974946), wk = 0.0033223 k( 143) = ( 0.0365854 0.0211226 0.2974946), wk = 0.0033223 k( 144) = ( 0.0487805 0.0281634 0.2974946), wk = 0.0033223 k( 145) = ( 0.0609756 0.0352043 0.2974946), wk = 0.0033223 k( 146) = ( 0.0731707 0.0422451 0.2974946), wk = 0.0033223 k( 147) = ( 0.0853658 0.0492860 0.2974946), wk = 0.0033223 k( 148) = ( 0.0975610 0.0563269 0.2974946), wk = 0.0033223 k( 149) = ( 0.1097561 0.0633677 0.2974946), wk = 0.0033223 k( 150) = ( 0.1219512 0.0704086 0.2974946), wk = 0.0033223 k( 151) = ( 0.1341463 0.0774494 0.2974946), wk = 0.0033223 k( 152) = ( 0.1463415 0.0844903 0.2974946), wk = 0.0033223 k( 153) = ( 0.1585366 0.0915311 0.2974946), wk = 0.0033223 k( 154) = ( 0.1707317 0.0985720 0.2974946), wk = 0.0033223 k( 155) = ( 0.1829268 0.1056129 0.2974946), wk = 0.0033223 k( 156) = ( 0.1951219 0.1126537 0.2974946), wk = 0.0033223 k( 157) = ( 0.2073171 0.1196946 0.2974946), wk = 0.0033223 k( 158) = ( 0.2195122 0.1267354 0.2974946), wk = 0.0033223 k( 159) = ( 0.2317073 0.1337763 0.2974946), wk = 0.0033223 k( 160) = ( 0.2439024 0.1408171 0.2974946), wk = 0.0033223 k( 161) = ( 0.2560976 0.1478580 0.2974946), wk = 0.0033223 k( 162) = ( 0.2682927 0.1548989 0.2974946), wk = 0.0033223 k( 163) = ( 0.2804878 0.1619397 0.2974946), wk = 0.0033223 k( 164) = ( 0.2926829 0.1689806 0.2974946), wk = 0.0033223 k( 165) = ( 0.3048781 0.1760214 0.2974946), wk = 0.0033223 k( 166) = ( 0.3170732 0.1830623 0.2974946), wk = 0.0033223 k( 167) = ( 0.3292683 0.1901031 0.2974946), wk = 0.0033223 k( 168) = ( 0.3414634 0.1971440 0.2974946), wk = 0.0033223 k( 169) = ( 0.3536585 0.2041849 0.2974946), wk = 0.0033223 k( 170) = ( 0.3658537 0.2112257 0.2974946), wk = 0.0033223 k( 171) = ( 0.3780488 0.2182666 0.2974946), wk = 0.0033223 k( 172) = ( 0.3902439 0.2253074 0.2974946), wk = 0.0033223 k( 173) = ( 0.4024390 0.2323483 0.2974946), wk = 0.0033223 k( 174) = ( 0.4146341 0.2393891 0.2974946), wk = 0.0033223 k( 175) = ( 0.4268293 0.2464300 0.2974946), wk = 0.0033223 k( 176) = ( 0.4390244 0.2534708 0.2974946), wk = 0.0033223 k( 177) = ( 0.4512195 0.2605117 0.2974946), wk = 0.0033223 k( 178) = ( 0.4634146 0.2675526 0.2974946), wk = 0.0033223 k( 179) = ( 0.4756098 0.2745934 0.2974946), wk = 0.0033223 k( 180) = ( 0.4878049 0.2816343 0.2974946), wk = 0.0033223 k( 181) = ( 0.5000000 0.2886751 0.2974946), wk = 0.0033223 k( 182) = ( 0.5000000 0.2886751 0.2974946), wk = 0.0033223 k( 183) = ( 0.4930556 0.3007033 0.2974946), wk = 0.0033223 k( 184) = ( 0.4861111 0.3127314 0.2974946), wk = 0.0033223 k( 185) = ( 0.4791667 0.3247595 0.2974946), wk = 0.0033223 k( 186) = ( 0.4722222 0.3367877 0.2974946), wk = 0.0033223 k( 187) = ( 0.4652778 0.3488158 0.2974946), wk = 0.0033223 k( 188) = ( 0.4583333 0.3608439 0.2974946), wk = 0.0033223 k( 189) = ( 0.4513889 0.3728720 0.2974946), wk = 0.0033223 k( 190) = ( 0.4444444 0.3849002 0.2974946), wk = 0.0033223 k( 191) = ( 0.4375000 0.3969283 0.2974946), wk = 0.0033223 k( 192) = ( 0.4305556 0.4089564 0.2974946), wk = 0.0033223 k( 193) = ( 0.4236111 0.4209846 0.2974946), wk = 0.0033223 k( 194) = ( 0.4166667 0.4330127 0.2974946), wk = 0.0033223 k( 195) = ( 0.4097222 0.4450408 0.2974946), wk = 0.0033223 k( 196) = ( 0.4027778 0.4570690 0.2974946), wk = 0.0033223 k( 197) = ( 0.3958333 0.4690971 0.2974946), wk = 0.0033223 k( 198) = ( 0.3888889 0.4811252 0.2974946), wk = 0.0033223 k( 199) = ( 0.3819444 0.4931534 0.2974946), wk = 0.0033223 k( 200) = ( 0.3750000 0.5051815 0.2974946), wk = 0.0033223 k( 201) = ( 0.3680556 0.5172096 0.2974946), wk = 0.0033223 k( 202) = ( 0.3611111 0.5292377 0.2974946), wk = 0.0033223 k( 203) = ( 0.3541667 0.5412659 0.2974946), wk = 0.0033223 k( 204) = ( 0.3472222 0.5532940 0.2974946), wk = 0.0033223 k( 205) = ( 0.3402778 0.5653221 0.2974946), wk = 0.0033223 k( 206) = ( 0.3333333 0.5773503 0.2974946), wk = 0.0033223 k( 207) = ( 0.3333333 0.5773503 0.2974946), wk = 0.0033223 k( 208) = ( 0.3263889 0.5653221 0.2974946), wk = 0.0033223 k( 209) = ( 0.3194444 0.5532940 0.2974946), wk = 0.0033223 k( 210) = ( 0.3125000 0.5412659 0.2974946), wk = 0.0033223 k( 211) = ( 0.3055556 0.5292378 0.2974946), wk = 0.0033223 k( 212) = ( 0.2986111 0.5172096 0.2974946), wk = 0.0033223 k( 213) = ( 0.2916667 0.5051815 0.2974946), wk = 0.0033223 k( 214) = ( 0.2847222 0.4931534 0.2974946), wk = 0.0033223 k( 215) = ( 0.2777778 0.4811252 0.2974946), wk = 0.0033223 k( 216) = ( 0.2708333 0.4690971 0.2974946), wk = 0.0033223 k( 217) = ( 0.2638889 0.4570690 0.2974946), wk = 0.0033223 k( 218) = ( 0.2569444 0.4450408 0.2974946), wk = 0.0033223 k( 219) = ( 0.2500000 0.4330127 0.2974946), wk = 0.0033223 k( 220) = ( 0.2430556 0.4209846 0.2974946), wk = 0.0033223 k( 221) = ( 0.2361111 0.4089564 0.2974946), wk = 0.0033223 k( 222) = ( 0.2291667 0.3969283 0.2974946), wk = 0.0033223 k( 223) = ( 0.2222222 0.3849002 0.2974946), wk = 0.0033223 k( 224) = ( 0.2152778 0.3728721 0.2974946), wk = 0.0033223 k( 225) = ( 0.2083333 0.3608439 0.2974946), wk = 0.0033223 k( 226) = ( 0.2013889 0.3488158 0.2974946), wk = 0.0033223 k( 227) = ( 0.1944444 0.3367876 0.2974946), wk = 0.0033223 k( 228) = ( 0.1875000 0.3247595 0.2974946), wk = 0.0033223 k( 229) = ( 0.1805556 0.3127314 0.2974946), wk = 0.0033223 k( 230) = ( 0.1736111 0.3007033 0.2974946), wk = 0.0033223 k( 231) = ( 0.1666667 0.2886751 0.2974946), wk = 0.0033223 k( 232) = ( 0.1597222 0.2766470 0.2974946), wk = 0.0033223 k( 233) = ( 0.1527778 0.2646189 0.2974946), wk = 0.0033223 k( 234) = ( 0.1458333 0.2525907 0.2974946), wk = 0.0033223 k( 235) = ( 0.1388889 0.2405626 0.2974946), wk = 0.0033223 k( 236) = ( 0.1319444 0.2285345 0.2974946), wk = 0.0033223 k( 237) = ( 0.1250000 0.2165064 0.2974946), wk = 0.0033223 k( 238) = ( 0.1180556 0.2044782 0.2974946), wk = 0.0033223 k( 239) = ( 0.1111111 0.1924501 0.2974946), wk = 0.0033223 k( 240) = ( 0.1041667 0.1804220 0.2974946), wk = 0.0033223 k( 241) = ( 0.0972222 0.1683938 0.2974946), wk = 0.0033223 k( 242) = ( 0.0902778 0.1563657 0.2974946), wk = 0.0033223 k( 243) = ( 0.0833333 0.1443376 0.2974946), wk = 0.0033223 k( 244) = ( 0.0763889 0.1323094 0.2974946), wk = 0.0033223 k( 245) = ( 0.0694444 0.1202813 0.2974946), wk = 0.0033223 k( 246) = ( 0.0625000 0.1082532 0.2974946), wk = 0.0033223 k( 247) = ( 0.0555556 0.0962251 0.2974946), wk = 0.0033223 k( 248) = ( 0.0486111 0.0841969 0.2974946), wk = 0.0033223 k( 249) = ( 0.0416667 0.0721688 0.2974946), wk = 0.0033223 k( 250) = ( 0.0347222 0.0601406 0.2974946), wk = 0.0033223 k( 251) = ( 0.0277778 0.0481125 0.2974946), wk = 0.0033223 k( 252) = ( 0.0208333 0.0360844 0.2974946), wk = 0.0033223 k( 253) = ( 0.0138889 0.0240563 0.2974946), wk = 0.0033223 k( 254) = ( 0.0069444 0.0120281 0.2974946), wk = 0.0033223 k( 255) = ( 0.0000000 0.0000000 0.2974946), wk = 0.0033223 k( 256) = ( 0.5000000 0.2886751 0.2974946), wk = 0.0033223 k( 257) = ( 0.5000000 0.2886751 0.2839722), wk = 0.0033223 k( 258) = ( 0.5000000 0.2886751 0.2704497), wk = 0.0033223 k( 259) = ( 0.5000000 0.2886751 0.2569272), wk = 0.0033223 k( 260) = ( 0.5000000 0.2886751 0.2434047), wk = 0.0033223 k( 261) = ( 0.5000000 0.2886751 0.2298822), wk = 0.0033223 k( 262) = ( 0.5000000 0.2886751 0.2163597), wk = 0.0033223 k( 263) = ( 0.5000000 0.2886751 0.2028373), wk = 0.0033223 k( 264) = ( 0.5000000 0.2886751 0.1893148), wk = 0.0033223 k( 265) = ( 0.5000000 0.2886751 0.1757923), wk = 0.0033223 k( 266) = ( 0.5000000 0.2886751 0.1622698), wk = 0.0033223 k( 267) = ( 0.5000000 0.2886751 0.1487473), wk = 0.0033223 k( 268) = ( 0.5000000 0.2886751 0.1352248), wk = 0.0033223 k( 269) = ( 0.5000000 0.2886751 0.1217024), wk = 0.0033223 k( 270) = ( 0.5000000 0.2886751 0.1081799), wk = 0.0033223 k( 271) = ( 0.5000000 0.2886751 0.0946574), wk = 0.0033223 k( 272) = ( 0.5000000 0.2886751 0.0811349), wk = 0.0033223 k( 273) = ( 0.5000000 0.2886751 0.0676124), wk = 0.0033223 k( 274) = ( 0.5000000 0.2886751 0.0540899), wk = 0.0033223 k( 275) = ( 0.5000000 0.2886751 0.0405675), wk = 0.0033223 k( 276) = ( 0.5000000 0.2886751 0.0270450), wk = 0.0033223 k( 277) = ( 0.5000000 0.2886751 0.0135225), wk = 0.0033223 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 280) = ( 0.3333333 0.5773503 0.0135225), wk = 0.0033223 k( 281) = ( 0.3333333 0.5773503 0.0270450), wk = 0.0033223 k( 282) = ( 0.3333333 0.5773503 0.0405675), wk = 0.0033223 k( 283) = ( 0.3333333 0.5773503 0.0540899), wk = 0.0033223 k( 284) = ( 0.3333333 0.5773503 0.0676124), wk = 0.0033223 k( 285) = ( 0.3333333 0.5773503 0.0811349), wk = 0.0033223 k( 286) = ( 0.3333333 0.5773503 0.0946574), wk = 0.0033223 k( 287) = ( 0.3333333 0.5773503 0.1081799), wk = 0.0033223 k( 288) = ( 0.3333333 0.5773503 0.1217024), wk = 0.0033223 k( 289) = ( 0.3333333 0.5773503 0.1352248), wk = 0.0033223 k( 290) = ( 0.3333333 0.5773503 0.1487473), wk = 0.0033223 k( 291) = ( 0.3333333 0.5773503 0.1622698), wk = 0.0033223 k( 292) = ( 0.3333333 0.5773503 0.1757923), wk = 0.0033223 k( 293) = ( 0.3333333 0.5773503 0.1893148), wk = 0.0033223 k( 294) = ( 0.3333333 0.5773503 0.2028373), wk = 0.0033223 k( 295) = ( 0.3333333 0.5773503 0.2163597), wk = 0.0033223 k( 296) = ( 0.3333333 0.5773503 0.2298822), wk = 0.0033223 k( 297) = ( 0.3333333 0.5773503 0.2434047), wk = 0.0033223 k( 298) = ( 0.3333333 0.5773503 0.2569272), wk = 0.0033223 k( 299) = ( 0.3333333 0.5773503 0.2704497), wk = 0.0033223 k( 300) = ( 0.3333333 0.5773503 0.2839722), wk = 0.0033223 k( 301) = ( 0.3333333 0.5773503 0.2974946), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0033223 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0033223 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0033223 k( 6) = ( 0.0609756 -0.0000000 0.0000000), wk = 0.0033223 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0033223 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0033223 k( 11) = ( 0.1219512 -0.0000000 0.0000000), wk = 0.0033223 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0033223 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0033223 k( 14) = ( 0.1585366 -0.0000000 0.0000000), wk = 0.0033223 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0033223 k( 16) = ( 0.1829268 -0.0000000 0.0000000), wk = 0.0033223 k( 17) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0033223 k( 18) = ( 0.2073171 -0.0000000 0.0000000), wk = 0.0033223 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0033223 k( 20) = ( 0.2317073 -0.0000000 0.0000000), wk = 0.0033223 k( 21) = ( 0.2439024 -0.0000000 0.0000000), wk = 0.0033223 k( 22) = ( 0.2560976 0.0000000 0.0000000), wk = 0.0033223 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0033223 k( 24) = ( 0.2804878 0.0000000 -0.0000000), wk = 0.0033223 k( 25) = ( 0.2926829 -0.0000000 0.0000000), wk = 0.0033223 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0033223 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0033223 k( 28) = ( 0.3292683 -0.0000000 0.0000000), wk = 0.0033223 k( 29) = ( 0.3414634 -0.0000000 0.0000000), wk = 0.0033223 k( 30) = ( 0.3536585 -0.0000000 0.0000000), wk = 0.0033223 k( 31) = ( 0.3658537 -0.0000000 0.0000000), wk = 0.0033223 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0033223 k( 33) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0033223 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0033223 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0033223 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0033223 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0033223 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0033223 k( 39) = ( 0.4634146 -0.0000000 0.0000000), wk = 0.0033223 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0033223 k( 41) = ( 0.4878049 -0.0000000 0.0000000), wk = 0.0033223 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033223 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033223 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033223 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033223 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033223 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0033223 k( 48) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0033223 k( 49) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033223 k( 50) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0033223 k( 51) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033223 k( 52) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0033223 k( 53) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033223 k( 54) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0033223 k( 55) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033223 k( 56) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0033223 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033223 k( 58) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033223 k( 60) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0033223 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033223 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0033223 k( 64) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0033223 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0033223 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033223 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 69) = ( 0.3263889 0.3263889 0.0000000), wk = 0.0033223 k( 70) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0033223 k( 71) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033223 k( 72) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0033223 k( 73) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0033223 k( 74) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033223 k( 75) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0033223 k( 76) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0033223 k( 77) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033223 k( 78) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0033223 k( 79) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0033223 k( 80) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033223 k( 81) = ( 0.2430556 0.2430556 0.0000000), wk = 0.0033223 k( 82) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0033223 k( 83) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0033223 k( 84) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033223 k( 85) = ( 0.2152778 0.2152778 0.0000000), wk = 0.0033223 k( 86) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033223 k( 87) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0033223 k( 88) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0033223 k( 89) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033223 k( 90) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0033223 k( 91) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0033223 k( 92) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033223 k( 93) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0033223 k( 94) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0033223 k( 95) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0033223 k( 96) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0033223 k( 97) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0033223 k( 98) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033223 k( 99) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0033223 k( 100) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0033223 k( 102) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0033223 k( 103) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0033223 k( 104) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033223 k( 105) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0033223 k( 106) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0033223 k( 107) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033223 k( 108) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033223 k( 109) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0033223 k( 112) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0033223 k( 113) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033223 k( 114) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0033223 k( 115) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0033223 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 118) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 141) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0033223 k( 142) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0033223 k( 143) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0033223 k( 144) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0033223 k( 145) = ( 0.0609756 -0.0000000 0.5000000), wk = 0.0033223 k( 146) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0033223 k( 147) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0033223 k( 148) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0033223 k( 149) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0033223 k( 150) = ( 0.1219512 -0.0000000 0.5000000), wk = 0.0033223 k( 151) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0033223 k( 152) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0033223 k( 153) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0033223 k( 154) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0033223 k( 155) = ( 0.1829268 -0.0000000 0.5000000), wk = 0.0033223 k( 156) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0033223 k( 157) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0033223 k( 158) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0033223 k( 159) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0033223 k( 160) = ( 0.2439024 -0.0000000 0.5000000), wk = 0.0033223 k( 161) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0033223 k( 162) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0033223 k( 163) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0033223 k( 164) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0033223 k( 165) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0033223 k( 166) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0033223 k( 167) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0033223 k( 168) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0033223 k( 169) = ( 0.3536585 -0.0000000 0.5000000), wk = 0.0033223 k( 170) = ( 0.3658537 -0.0000000 0.5000000), wk = 0.0033223 k( 171) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0033223 k( 172) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0033223 k( 173) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0033223 k( 174) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0033223 k( 175) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0033223 k( 176) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0033223 k( 177) = ( 0.4512195 -0.0000000 0.5000000), wk = 0.0033223 k( 178) = ( 0.4634146 -0.0000000 0.5000000), wk = 0.0033223 k( 179) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0033223 k( 180) = ( 0.4878049 -0.0000000 0.5000000), wk = 0.0033223 k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 182) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 183) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033223 k( 184) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033223 k( 185) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033223 k( 186) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033223 k( 187) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033223 k( 188) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033223 k( 189) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033223 k( 190) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033223 k( 191) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033223 k( 192) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033223 k( 193) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033223 k( 194) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033223 k( 195) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033223 k( 196) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033223 k( 197) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033223 k( 198) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033223 k( 199) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033223 k( 200) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033223 k( 201) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033223 k( 202) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033223 k( 203) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033223 k( 204) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033223 k( 205) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033223 k( 206) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 208) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033223 k( 209) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033223 k( 210) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033223 k( 211) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033223 k( 212) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033223 k( 213) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033223 k( 214) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033223 k( 215) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033223 k( 216) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033223 k( 217) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033223 k( 218) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033223 k( 219) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033223 k( 220) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033223 k( 221) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033223 k( 222) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033223 k( 223) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033223 k( 224) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033223 k( 225) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033223 k( 226) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033223 k( 227) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033223 k( 228) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033223 k( 229) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033223 k( 230) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033223 k( 231) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033223 k( 232) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033223 k( 233) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033223 k( 234) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033223 k( 235) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033223 k( 236) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033223 k( 237) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033223 k( 238) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033223 k( 239) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033223 k( 240) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033223 k( 241) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033223 k( 242) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033223 k( 243) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033223 k( 244) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033223 k( 245) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033223 k( 246) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033223 k( 247) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033223 k( 248) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033223 k( 249) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033223 k( 250) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033223 k( 251) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033223 k( 252) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033223 k( 253) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033223 k( 254) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033223 k( 255) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 256) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 257) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0033223 k( 258) = ( 0.5000000 0.0000000 0.4545454), wk = 0.0033223 k( 259) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0033223 k( 260) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0033223 k( 261) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0033223 k( 262) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0033223 k( 263) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0033223 k( 264) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0033223 k( 265) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0033223 k( 266) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0033223 k( 267) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033223 k( 268) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0033223 k( 269) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0033223 k( 270) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0033223 k( 271) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0033223 k( 272) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0033223 k( 273) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0033223 k( 274) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0033223 k( 275) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0033223 k( 276) = ( 0.5000000 0.0000000 0.0454545), wk = 0.0033223 k( 277) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0033223 k( 278) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033223 k( 279) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 280) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0033223 k( 281) = ( 0.3333333 0.3333333 0.0454545), wk = 0.0033223 k( 282) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0033223 k( 283) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0033223 k( 284) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0033223 k( 285) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0033223 k( 286) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0033223 k( 287) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0033223 k( 288) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0033223 k( 289) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0033223 k( 290) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033223 k( 291) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0033223 k( 292) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0033223 k( 293) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0033223 k( 294) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0033223 k( 295) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0033223 k( 296) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0033223 k( 297) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0033223 k( 298) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0033223 k( 299) = ( 0.3333333 0.3333333 0.4545454), wk = 0.0033223 k( 300) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0033223 k( 301) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 Dense grid: 66723 G-vectors FFT dimensions: ( 45, 45, 75) Smooth grid: 36313 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 252, 52) NL pseudopotentials 0.33 Mb ( 126, 170) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1853) G-vector shells 0.01 Mb ( 871) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.80 Mb ( 252, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 170, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaxZnSbx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.1 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 7.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.9 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 9.9 secs Computing kpt #: 7 total cpu time spent up to now is 10.8 secs Computing kpt #: 8 total cpu time spent up to now is 11.6 secs Computing kpt #: 9 total cpu time spent up to now is 12.5 secs Computing kpt #: 10 total cpu time spent up to now is 13.4 secs Computing kpt #: 11 total cpu time spent up to now is 14.7 secs Computing kpt #: 12 total cpu time spent up to now is 15.6 secs Computing kpt #: 13 total cpu time spent up to now is 16.4 secs Computing kpt #: 14 total cpu time spent up to now is 17.3 secs Computing kpt #: 15 total cpu time spent up to now is 18.1 secs Computing kpt #: 16 total cpu time spent up to now is 19.0 secs Computing kpt #: 17 total cpu time spent up to now is 19.8 secs Computing kpt #: 18 total cpu time spent up to now is 20.7 secs Computing kpt #: 19 total cpu time spent up to now is 21.5 secs Computing kpt #: 20 total cpu time spent up to now is 22.4 secs Computing kpt #: 21 total cpu time spent up to now is 23.2 secs Computing kpt #: 22 total cpu time spent up to now is 24.3 secs Computing kpt #: 23 total cpu time spent up to now is 25.5 secs Computing kpt #: 24 total cpu time spent up to now is 26.5 secs Computing kpt #: 25 total cpu time spent up to now is 27.5 secs Computing kpt #: 26 total cpu time spent up to now is 28.5 secs Computing kpt #: 27 total cpu time spent up to now is 29.5 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.0 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 32.5 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 34.1 secs Computing kpt #: 31 total cpu time spent up to now is 34.9 secs Computing kpt #: 32 total cpu time spent up to now is 35.7 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 37.2 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 38.8 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 40.3 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 41.9 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 43.4 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 44.9 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 46.5 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.0 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.5 secs Computing kpt #: 42 total cpu time spent up to now is 50.9 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 52.4 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 53.9 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.6 secs Computing kpt #: 46 total cpu time spent up to now is 57.0 secs Computing kpt #: 47 total cpu time spent up to now is 58.2 secs Computing kpt #: 48 total cpu time spent up to now is 59.1 secs Computing kpt #: 49 total cpu time spent up to now is 59.9 secs Computing kpt #: 50 total cpu time spent up to now is 60.7 secs Computing kpt #: 51 total cpu time spent up to now is 61.4 secs Computing kpt #: 52 total cpu time spent up to now is 62.0 secs Computing kpt #: 53 total cpu time spent up to now is 62.7 secs Computing kpt #: 54 total cpu time spent up to now is 63.3 secs Computing kpt #: 55 total cpu time spent up to now is 64.0 secs Computing kpt #: 56 total cpu time spent up to now is 64.6 secs Computing kpt #: 57 total cpu time spent up to now is 65.1 secs Computing kpt #: 58 total cpu time spent up to now is 65.7 secs Computing kpt #: 59 total cpu time spent up to now is 66.3 secs Computing kpt #: 60 total cpu time spent up to now is 67.0 secs Computing kpt #: 61 total cpu time spent up to now is 67.6 secs Computing kpt #: 62 total cpu time spent up to now is 68.3 secs Computing kpt #: 63 total cpu time spent up to now is 69.0 secs Computing kpt #: 64 total cpu time spent up to now is 69.7 secs Computing kpt #: 65 total cpu time spent up to now is 70.7 secs Computing kpt #: 66 total cpu time spent up to now is 71.7 secs Computing kpt #: 67 total cpu time spent up to now is 72.7 secs Computing kpt #: 68 total cpu time spent up to now is 73.4 secs Computing kpt #: 69 total cpu time spent up to now is 74.8 secs Computing kpt #: 70 total cpu time spent up to now is 76.2 secs Computing kpt #: 71 total cpu time spent up to now is 77.5 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.0 secs Computing kpt #: 73 total cpu time spent up to now is 80.0 secs Computing kpt #: 74 total cpu time spent up to now is 81.0 secs Computing kpt #: 75 total cpu time spent up to now is 82.0 secs Computing kpt #: 76 total cpu time spent up to now is 83.0 secs Computing kpt #: 77 total cpu time spent up to now is 84.0 secs Computing kpt #: 78 total cpu time spent up to now is 84.8 secs Computing kpt #: 79 total cpu time spent up to now is 85.7 secs Computing kpt #: 80 total cpu time spent up to now is 86.5 secs Computing kpt #: 81 total cpu time spent up to now is 87.3 secs Computing kpt #: 82 total cpu time spent up to now is 88.0 secs Computing kpt #: 83 total cpu time spent up to now is 88.8 secs Computing kpt #: 84 total cpu time spent up to now is 89.6 secs Computing kpt #: 85 total cpu time spent up to now is 90.4 secs Computing kpt #: 86 total cpu time spent up to now is 91.2 secs Computing kpt #: 87 total cpu time spent up to now is 91.9 secs Computing kpt #: 88 total cpu time spent up to now is 92.6 secs Computing kpt #: 89 total cpu time spent up to now is 93.3 secs Computing kpt #: 90 total cpu time spent up to now is 94.0 secs Computing kpt #: 91 total cpu time spent up to now is 94.7 secs Computing kpt #: 92 total cpu time spent up to now is 95.4 secs Computing kpt #: 93 total cpu time spent up to now is 96.1 secs Computing kpt #: 94 total cpu time spent up to now is 96.8 secs Computing kpt #: 95 total cpu time spent up to now is 97.6 secs Computing kpt #: 96 total cpu time spent up to now is 98.3 secs Computing kpt #: 97 total cpu time spent up to now is 99.1 secs Computing kpt #: 98 total cpu time spent up to now is 99.8 secs Computing kpt #: 99 total cpu time spent up to now is 100.6 secs Computing kpt #: 100 total cpu time spent up to now is 101.4 secs Computing kpt #: 101 total cpu time spent up to now is 102.2 secs Computing kpt #: 102 total cpu time spent up to now is 103.0 secs Computing kpt #: 103 total cpu time spent up to now is 103.8 secs Computing kpt #: 104 total cpu time spent up to now is 104.7 secs Computing kpt #: 105 total cpu time spent up to now is 105.6 secs Computing kpt #: 106 total cpu time spent up to now is 106.4 secs Computing kpt #: 107 total cpu time spent up to now is 107.3 secs Computing kpt #: 108 total cpu time spent up to now is 108.1 secs Computing kpt #: 109 total cpu time spent up to now is 109.0 secs Computing kpt #: 110 total cpu time spent up to now is 109.8 secs Computing kpt #: 111 total cpu time spent up to now is 110.7 secs Computing kpt #: 112 total cpu time spent up to now is 111.6 secs Computing kpt #: 113 total cpu time spent up to now is 113.0 secs Computing kpt #: 114 total cpu time spent up to now is 113.8 secs Computing kpt #: 115 total cpu time spent up to now is 114.7 secs Computing kpt #: 116 total cpu time spent up to now is 115.5 secs Computing kpt #: 117 total cpu time spent up to now is 116.4 secs Computing kpt #: 118 total cpu time spent up to now is 117.3 secs Computing kpt #: 119 total cpu time spent up to now is 118.1 secs Computing kpt #: 120 total cpu time spent up to now is 119.0 secs Computing kpt #: 121 total cpu time spent up to now is 120.4 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.9 secs Computing kpt #: 123 total cpu time spent up to now is 122.9 secs Computing kpt #: 124 total cpu time spent up to now is 123.9 secs Computing kpt #: 125 total cpu time spent up to now is 124.8 secs Computing kpt #: 126 total cpu time spent up to now is 126.0 secs Computing kpt #: 127 total cpu time spent up to now is 126.8 secs Computing kpt #: 128 total cpu time spent up to now is 127.7 secs Computing kpt #: 129 total cpu time spent up to now is 128.5 secs Computing kpt #: 130 total cpu time spent up to now is 129.3 secs Computing kpt #: 131 total cpu time spent up to now is 130.1 secs Computing kpt #: 132 total cpu time spent up to now is 130.8 secs Computing kpt #: 133 total cpu time spent up to now is 131.6 secs Computing kpt #: 134 total cpu time spent up to now is 132.3 secs Computing kpt #: 135 total cpu time spent up to now is 133.0 secs Computing kpt #: 136 total cpu time spent up to now is 133.7 secs Computing kpt #: 137 total cpu time spent up to now is 134.4 secs Computing kpt #: 138 total cpu time spent up to now is 135.1 secs Computing kpt #: 139 total cpu time spent up to now is 135.8 secs Computing kpt #: 140 total cpu time spent up to now is 136.4 secs Computing kpt #: 141 total cpu time spent up to now is 137.1 secs Computing kpt #: 142 total cpu time spent up to now is 137.8 secs Computing kpt #: 143 total cpu time spent up to now is 138.5 secs Computing kpt #: 144 total cpu time spent up to now is 139.2 secs Computing kpt #: 145 total cpu time spent up to now is 139.9 secs Computing kpt #: 146 total cpu time spent up to now is 140.7 secs Computing kpt #: 147 total cpu time spent up to now is 141.5 secs Computing kpt #: 148 total cpu time spent up to now is 142.3 secs Computing kpt #: 149 total cpu time spent up to now is 143.2 secs Computing kpt #: 150 total cpu time spent up to now is 144.0 secs Computing kpt #: 151 total cpu time spent up to now is 144.8 secs Computing kpt #: 152 total cpu time spent up to now is 145.9 secs Computing kpt #: 153 total cpu time spent up to now is 146.9 secs Computing kpt #: 154 total cpu time spent up to now is 147.9 secs Computing kpt #: 155 total cpu time spent up to now is 148.9 secs Computing kpt #: 156 total cpu time spent up to now is 150.0 secs Computing kpt #: 157 total cpu time spent up to now is 151.2 secs Computing kpt #: 158 total cpu time spent up to now is 152.2 secs Computing kpt #: 159 total cpu time spent up to now is 153.0 secs Computing kpt #: 160 total cpu time spent up to now is 153.6 secs Computing kpt #: 161 total cpu time spent up to now is 154.4 secs Computing kpt #: 162 total cpu time spent up to now is 155.0 secs Computing kpt #: 163 total cpu time spent up to now is 155.6 secs Computing kpt #: 164 total cpu time spent up to now is 156.1 secs Computing kpt #: 165 total cpu time spent up to now is 156.7 secs Computing kpt #: 166 total cpu time spent up to now is 157.2 secs Computing kpt #: 167 total cpu time spent up to now is 157.8 secs Computing kpt #: 168 total cpu time spent up to now is 158.3 secs Computing kpt #: 169 total cpu time spent up to now is 158.8 secs Computing kpt #: 170 total cpu time spent up to now is 159.3 secs Computing kpt #: 171 total cpu time spent up to now is 159.9 secs Computing kpt #: 172 total cpu time spent up to now is 160.4 secs Computing kpt #: 173 total cpu time spent up to now is 161.0 secs Computing kpt #: 174 total cpu time spent up to now is 161.5 secs Computing kpt #: 175 total cpu time spent up to now is 162.0 secs Computing kpt #: 176 total cpu time spent up to now is 162.5 secs Computing kpt #: 177 total cpu time spent up to now is 163.0 secs Computing kpt #: 178 total cpu time spent up to now is 163.5 secs Computing kpt #: 179 total cpu time spent up to now is 164.0 secs Computing kpt #: 180 total cpu time spent up to now is 164.5 secs Computing kpt #: 181 total cpu time spent up to now is 165.0 secs Computing kpt #: 182 total cpu time spent up to now is 165.5 secs Computing kpt #: 183 total cpu time spent up to now is 166.0 secs Computing kpt #: 184 total cpu time spent up to now is 166.4 secs Computing kpt #: 185 total cpu time spent up to now is 166.9 secs Computing kpt #: 186 total cpu time spent up to now is 167.5 secs Computing kpt #: 187 total cpu time spent up to now is 168.0 secs Computing kpt #: 188 total cpu time spent up to now is 168.6 secs Computing kpt #: 189 total cpu time spent up to now is 169.1 secs Computing kpt #: 190 total cpu time spent up to now is 169.7 secs Computing kpt #: 191 total cpu time spent up to now is 170.3 secs Computing kpt #: 192 total cpu time spent up to now is 170.8 secs Computing kpt #: 193 total cpu time spent up to now is 171.4 secs Computing kpt #: 194 total cpu time spent up to now is 172.1 secs Computing kpt #: 195 total cpu time spent up to now is 172.7 secs Computing kpt #: 196 total cpu time spent up to now is 173.4 secs Computing kpt #: 197 total cpu time spent up to now is 174.2 secs Computing kpt #: 198 total cpu time spent up to now is 175.0 secs Computing kpt #: 199 total cpu time spent up to now is 175.7 secs Computing kpt #: 200 total cpu time spent up to now is 176.4 secs Computing kpt #: 201 total cpu time spent up to now is 177.1 secs Computing kpt #: 202 total cpu time spent up to now is 177.8 secs Computing kpt #: 203 total cpu time spent up to now is 178.7 secs Computing kpt #: 204 total cpu time spent up to now is 179.6 secs Computing kpt #: 205 total cpu time spent up to now is 180.9 secs Computing kpt #: 206 total cpu time spent up to now is 182.2 secs Computing kpt #: 207 total cpu time spent up to now is 183.4 secs Computing kpt #: 208 total cpu time spent up to now is 184.8 secs Computing kpt #: 209 total cpu time spent up to now is 185.9 secs Computing kpt #: 210 total cpu time spent up to now is 186.9 secs Computing kpt #: 211 total cpu time spent up to now is 187.9 secs Computing kpt #: 212 total cpu time spent up to now is 188.9 secs Computing kpt #: 213 total cpu time spent up to now is 189.8 secs Computing kpt #: 214 total cpu time spent up to now is 190.7 secs Computing kpt #: 215 total cpu time spent up to now is 191.7 secs Computing kpt #: 216 total cpu time spent up to now is 192.7 secs Computing kpt #: 217 total cpu time spent up to now is 193.5 secs Computing kpt #: 218 total cpu time spent up to now is 194.4 secs Computing kpt #: 219 total cpu time spent up to now is 195.2 secs Computing kpt #: 220 total cpu time spent up to now is 195.9 secs Computing kpt #: 221 total cpu time spent up to now is 196.6 secs Computing kpt #: 222 total cpu time spent up to now is 197.4 secs Computing kpt #: 223 total cpu time spent up to now is 198.2 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.7 secs Computing kpt #: 225 total cpu time spent up to now is 200.7 secs Computing kpt #: 226 total cpu time spent up to now is 202.4 secs Computing kpt #: 227 total cpu time spent up to now is 203.6 secs Computing kpt #: 228 total cpu time spent up to now is 204.6 secs Computing kpt #: 229 total cpu time spent up to now is 205.5 secs Computing kpt #: 230 total cpu time spent up to now is 206.3 secs Computing kpt #: 231 total cpu time spent up to now is 207.0 secs Computing kpt #: 232 total cpu time spent up to now is 207.6 secs Computing kpt #: 233 total cpu time spent up to now is 208.2 secs Computing kpt #: 234 total cpu time spent up to now is 208.8 secs Computing kpt #: 235 total cpu time spent up to now is 209.4 secs Computing kpt #: 236 total cpu time spent up to now is 210.0 secs Computing kpt #: 237 total cpu time spent up to now is 210.7 secs Computing kpt #: 238 total cpu time spent up to now is 211.4 secs Computing kpt #: 239 total cpu time spent up to now is 212.0 secs Computing kpt #: 240 total cpu time spent up to now is 212.7 secs Computing kpt #: 241 total cpu time spent up to now is 213.4 secs Computing kpt #: 242 total cpu time spent up to now is 214.1 secs Computing kpt #: 243 total cpu time spent up to now is 214.9 secs Computing kpt #: 244 total cpu time spent up to now is 215.7 secs Computing kpt #: 245 total cpu time spent up to now is 216.6 secs Computing kpt #: 246 total cpu time spent up to now is 217.6 secs Computing kpt #: 247 total cpu time spent up to now is 218.3 secs Computing kpt #: 248 total cpu time spent up to now is 219.1 secs Computing kpt #: 249 total cpu time spent up to now is 219.8 secs Computing kpt #: 250 total cpu time spent up to now is 220.5 secs Computing kpt #: 251 total cpu time spent up to now is 221.2 secs Computing kpt #: 252 total cpu time spent up to now is 221.9 secs Computing kpt #: 253 total cpu time spent up to now is 222.6 secs Computing kpt #: 254 total cpu time spent up to now is 223.3 secs Computing kpt #: 255 total cpu time spent up to now is 223.9 secs Computing kpt #: 256 total cpu time spent up to now is 224.4 secs Computing kpt #: 257 total cpu time spent up to now is 224.9 secs Computing kpt #: 258 total cpu time spent up to now is 225.4 secs Computing kpt #: 259 total cpu time spent up to now is 225.8 secs Computing kpt #: 260 total cpu time spent up to now is 226.3 secs Computing kpt #: 261 total cpu time spent up to now is 226.9 secs Computing kpt #: 262 total cpu time spent up to now is 227.4 secs Computing kpt #: 263 total cpu time spent up to now is 227.9 secs Computing kpt #: 264 total cpu time spent up to now is 228.5 secs Computing kpt #: 265 total cpu time spent up to now is 229.0 secs Computing kpt #: 266 total cpu time spent up to now is 229.7 secs Computing kpt #: 267 total cpu time spent up to now is 230.3 secs Computing kpt #: 268 total cpu time spent up to now is 231.0 secs Computing kpt #: 269 total cpu time spent up to now is 231.7 secs Computing kpt #: 270 total cpu time spent up to now is 232.5 secs Computing kpt #: 271 total cpu time spent up to now is 233.3 secs Computing kpt #: 272 total cpu time spent up to now is 234.2 secs Computing kpt #: 273 total cpu time spent up to now is 235.1 secs Computing kpt #: 274 total cpu time spent up to now is 236.1 secs Computing kpt #: 275 total cpu time spent up to now is 237.3 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.8 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 240.3 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 241.9 secs Computing kpt #: 279 total cpu time spent up to now is 242.7 secs Computing kpt #: 280 total cpu time spent up to now is 243.7 secs Computing kpt #: 281 total cpu time spent up to now is 244.5 secs Computing kpt #: 282 total cpu time spent up to now is 245.2 secs Computing kpt #: 283 total cpu time spent up to now is 246.5 secs Computing kpt #: 284 total cpu time spent up to now is 247.5 secs Computing kpt #: 285 total cpu time spent up to now is 248.5 secs Computing kpt #: 286 total cpu time spent up to now is 249.4 secs Computing kpt #: 287 total cpu time spent up to now is 250.4 secs Computing kpt #: 288 total cpu time spent up to now is 251.2 secs Computing kpt #: 289 total cpu time spent up to now is 252.0 secs Computing kpt #: 290 total cpu time spent up to now is 252.8 secs Computing kpt #: 291 total cpu time spent up to now is 253.6 secs Computing kpt #: 292 total cpu time spent up to now is 254.4 secs Computing kpt #: 293 total cpu time spent up to now is 255.3 secs Computing kpt #: 294 total cpu time spent up to now is 256.3 secs Computing kpt #: 295 total cpu time spent up to now is 257.4 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 258.9 secs Computing kpt #: 297 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 260.5 secs Computing kpt #: 298 total cpu time spent up to now is 261.9 secs Computing kpt #: 299 total cpu time spent up to now is 263.4 secs Computing kpt #: 300 total cpu time spent up to now is 264.8 secs Computing kpt #: 301 total cpu time spent up to now is 265.8 secs ethr = 2.27E-08, avg # of iterations = 50.9 total cpu time spent up to now is 265.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4513 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.5636 -3.5636 -2.4339 -2.4339 -0.3526 -0.3526 -0.3410 -0.3410 -0.2683 -0.2683 -0.2348 -0.2348 -0.0063 -0.0063 0.0135 0.0135 0.0580 0.0580 0.1365 0.1365 0.1796 0.1796 0.2158 0.2158 2.1362 2.1362 5.9067 5.9067 6.2452 6.2452 6.9884 6.9884 7.2686 7.2686 7.7049 7.7049 7.7456 7.7456 8.6540 8.6540 9.1269 9.1269 9.4412 9.4412 k = 0.0122 0.0070-0.0000 ( 4525 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1880 -15.1880 -15.1562 -15.1562 -3.5624 -3.5624 -2.4333 -2.4333 -0.3526 -0.3526 -0.3410 -0.3410 -0.2684 -0.2684 -0.2347 -0.2347 -0.0063 -0.0063 0.0134 0.0134 0.0582 0.0582 0.1366 0.1366 0.1795 0.1795 0.2159 0.2159 2.1377 2.1377 5.8961 5.8961 6.2315 6.2315 6.9831 6.9831 7.2871 7.2871 7.6943 7.6943 7.7293 7.7293 8.6644 8.6644 9.1389 9.1389 9.4490 9.4490 k = 0.0244 0.0141-0.0000 ( 4513 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1880 -15.1880 -15.1563 -15.1563 -3.5590 -3.5590 -2.4315 -2.4315 -0.3524 -0.3524 -0.3407 -0.3407 -0.2687 -0.2687 -0.2342 -0.2342 -0.0060 -0.0060 0.0132 0.0132 0.0587 0.0587 0.1367 0.1367 0.1791 0.1791 0.2161 0.2161 2.1422 2.1422 5.8629 5.8629 6.1966 6.1966 6.9646 6.9646 7.3402 7.3402 7.6479 7.6479 7.7022 7.7022 8.6896 8.6896 9.1730 9.1730 9.4719 9.4719 k = 0.0366 0.0211-0.0000 ( 4515 PWs) bands (ev): -34.2850 -34.2850 -15.5517 -15.5517 -15.1881 -15.1881 -15.1565 -15.1565 -3.5532 -3.5532 -2.4286 -2.4286 -0.3520 -0.3520 -0.3403 -0.3403 -0.2693 -0.2693 -0.2336 -0.2336 -0.0057 -0.0057 0.0129 0.0129 0.0596 0.0596 0.1370 0.1370 0.1784 0.1784 0.2164 0.2164 2.1497 2.1497 5.8040 5.8040 6.1536 6.1536 6.9289 6.9289 7.4190 7.4190 7.5696 7.5696 7.6762 7.6762 8.7186 8.7186 9.2220 9.2220 9.5045 9.5045 k = 0.0488 0.0282-0.0000 ( 4519 PWs) bands (ev): -34.2850 -34.2850 -15.5518 -15.5518 -15.1881 -15.1881 -15.1567 -15.1567 -3.5451 -3.5451 -2.4244 -2.4244 -0.3516 -0.3516 -0.3398 -0.3398 -0.2701 -0.2701 -0.2327 -0.2327 -0.0054 -0.0054 0.0125 0.0125 0.0607 0.0607 0.1374 0.1374 0.1775 0.1775 0.2170 0.2170 2.1601 2.1601 5.7191 5.7191 6.1123 6.1123 6.8738 6.8738 7.4607 7.4607 7.5330 7.5330 7.6459 7.6459 8.7439 8.7439 9.2744 9.2744 9.5439 9.5439 k = 0.0610 0.0352-0.0000 ( 4515 PWs) bands (ev): -34.2850 -34.2850 -15.5519 -15.5519 -15.1881 -15.1881 -15.1570 -15.1570 -3.5348 -3.5348 -2.4191 -2.4191 -0.3510 -0.3510 -0.3391 -0.3391 -0.2709 -0.2709 -0.2316 -0.2316 -0.0049 -0.0049 0.0121 0.0121 0.0621 0.0621 0.1378 0.1378 0.1763 0.1763 0.2177 0.2177 2.1736 2.1736 5.6128 5.6128 6.0756 6.0756 6.7983 6.7983 7.3747 7.3747 7.5950 7.5950 7.6481 7.6481 8.7638 8.7638 9.3216 9.3216 9.5908 9.5908 k = 0.0732 0.0422-0.0000 ( 4519 PWs) bands (ev): -34.2849 -34.2849 -15.5520 -15.5520 -15.1882 -15.1882 -15.1574 -15.1574 -3.5222 -3.5222 -2.4127 -2.4127 -0.3502 -0.3502 -0.3382 -0.3382 -0.2719 -0.2719 -0.2303 -0.2303 -0.0044 -0.0044 0.0117 0.0117 0.0636 0.0636 0.1383 0.1383 0.1748 0.1748 0.2186 0.2186 2.1899 2.1899 5.4912 5.4912 6.0420 6.0420 6.7031 6.7031 7.2868 7.2868 7.5575 7.5575 7.7561 7.7561 8.7791 8.7791 9.3623 9.3623 9.6447 9.6447 k = 0.0854 0.0493-0.0000 ( 4517 PWs) bands (ev): -34.2849 -34.2849 -15.5522 -15.5522 -15.1883 -15.1883 -15.1578 -15.1578 -3.5074 -3.5074 -2.4052 -2.4052 -0.3493 -0.3493 -0.3372 -0.3372 -0.2730 -0.2730 -0.2289 -0.2289 -0.0038 -0.0038 0.0115 0.0115 0.0652 0.0652 0.1389 0.1389 0.1732 0.1732 0.2199 0.2199 2.2090 2.2090 5.3595 5.3595 6.0094 6.0094 6.5908 6.5908 7.2055 7.2055 7.5090 7.5090 7.8715 7.8715 8.7912 8.7912 9.3979 9.3979 9.7037 9.7037 k = 0.0976 0.0563-0.0000 ( 4515 PWs) bands (ev): -34.2849 -34.2849 -15.5524 -15.5524 -15.1883 -15.1883 -15.1583 -15.1583 -3.4904 -3.4904 -2.3967 -2.3967 -0.3483 -0.3483 -0.3361 -0.3361 -0.2741 -0.2741 -0.2273 -0.2273 -0.0032 -0.0032 0.0113 0.0113 0.0669 0.0669 0.1394 0.1394 0.1714 0.1714 0.2215 0.2215 2.2310 2.2310 5.2212 5.2212 5.9762 5.9762 6.4653 6.4653 7.1304 7.1304 7.4558 7.4558 7.9847 7.9847 8.8013 8.8013 9.4297 9.4297 9.7655 9.7655 k = 0.1098 0.0634-0.0000 ( 4515 PWs) bands (ev): -34.2848 -34.2848 -15.5526 -15.5526 -15.1884 -15.1884 -15.1588 -15.1588 -3.4712 -3.4712 -2.3871 -2.3871 -0.3471 -0.3471 -0.3348 -0.3348 -0.2753 -0.2753 -0.2257 -0.2257 -0.0026 -0.0026 0.0113 0.0113 0.0687 0.0687 0.1399 0.1399 0.1696 0.1696 0.2234 0.2234 2.2556 2.2556 5.0788 5.0788 5.9414 5.9414 6.3310 6.3310 7.0599 7.0599 7.3990 7.3990 8.0916 8.0916 8.8110 8.8110 9.4581 9.4581 9.8247 9.8247 k = 0.1220 0.0704-0.0000 ( 4511 PWs) bands (ev): -34.2848 -34.2848 -15.5529 -15.5529 -15.1885 -15.1885 -15.1594 -15.1594 -3.4499 -3.4499 -2.3767 -2.3767 -0.3458 -0.3458 -0.3334 -0.3334 -0.2765 -0.2765 -0.2239 -0.2239 -0.0020 -0.0020 0.0116 0.0116 0.0704 0.0704 0.1402 0.1402 0.1678 0.1678 0.2258 0.2258 2.2829 2.2829 4.9338 4.9338 5.9037 5.9037 6.1923 6.1923 6.9924 6.9924 7.3393 7.3393 8.1881 8.1881 8.8226 8.8226 9.4829 9.4829 9.8630 9.8630 k = 0.1341 0.0774-0.0000 ( 4517 PWs) bands (ev): -34.2847 -34.2847 -15.5532 -15.5532 -15.1886 -15.1886 -15.1600 -15.1600 -3.4265 -3.4265 -2.3653 -2.3653 -0.3444 -0.3444 -0.3318 -0.3318 -0.2776 -0.2776 -0.2221 -0.2221 -0.0015 -0.0015 0.0121 0.0121 0.0720 0.0720 0.1402 0.1402 0.1661 0.1661 0.2286 0.2286 2.3127 2.3127 4.7874 4.7874 5.8604 5.8604 6.0544 6.0544 6.9268 6.9268 7.2774 7.2774 8.2696 8.2696 8.8389 8.8389 9.5039 9.5039 9.8694 9.8694 k = 0.1463 0.0845-0.0000 ( 4525 PWs) bands (ev): -34.2847 -34.2847 -15.5535 -15.5535 -15.1888 -15.1888 -15.1607 -15.1607 -3.4011 -3.4011 -2.3532 -2.3532 -0.3428 -0.3428 -0.3301 -0.3301 -0.2787 -0.2787 -0.2201 -0.2201 -0.0010 -0.0010 0.0128 0.0128 0.0735 0.0735 0.1398 0.1398 0.1646 0.1646 0.2319 0.2319 2.3449 2.3449 4.6404 4.6404 5.8013 5.8013 5.9292 5.9292 6.8621 6.8621 7.2137 7.2137 8.3310 8.3310 8.8635 8.8635 9.5215 9.5215 9.8738 9.8738 k = 0.1585 0.0915-0.0000 ( 4526 PWs) bands (ev): -34.2846 -34.2846 -15.5538 -15.5538 -15.1889 -15.1889 -15.1614 -15.1614 -3.3738 -3.3738 -2.3403 -2.3403 -0.3411 -0.3411 -0.3282 -0.3282 -0.2798 -0.2798 -0.2181 -0.2181 -0.0005 -0.0005 0.0138 0.0138 0.0749 0.0749 0.1389 0.1389 0.1636 0.1636 0.2357 0.2357 2.3795 2.3795 4.4933 4.4933 5.7026 5.7026 5.8423 5.8423 6.7980 6.7980 7.1487 7.1487 8.3690 8.3690 8.8990 8.8990 9.5365 9.5365 9.8848 9.8848 k = 0.1707 0.0986-0.0000 ( 4522 PWs) bands (ev): -34.2845 -34.2845 -15.5541 -15.5541 -15.1891 -15.1891 -15.1621 -15.1621 -3.3445 -3.3445 -2.3268 -2.3268 -0.3393 -0.3393 -0.3261 -0.3261 -0.2807 -0.2807 -0.2160 -0.2160 0.0001 0.0001 0.0151 0.0151 0.0762 0.0762 0.1374 0.1374 0.1631 0.1631 0.2402 0.2402 2.4162 2.4162 4.3467 4.3467 5.5721 5.5721 5.7870 5.7870 6.7342 6.7342 7.0828 7.0828 8.3840 8.3840 8.9446 8.9446 9.5500 9.5500 9.9025 9.9025 k = 0.1829 0.1056-0.0000 ( 4526 PWs) bands (ev): -34.2845 -34.2845 -15.5544 -15.5544 -15.1892 -15.1892 -15.1628 -15.1628 -3.3135 -3.3135 -2.3127 -2.3127 -0.3373 -0.3373 -0.3239 -0.3239 -0.2816 -0.2816 -0.2138 -0.2138 0.0006 0.0006 0.0166 0.0166 0.0773 0.0773 0.1352 0.1352 0.1631 0.1631 0.2452 0.2452 2.4548 2.4548 4.2012 4.2012 5.4331 5.4331 5.7409 5.7409 6.6705 6.6705 7.0163 7.0163 8.3794 8.3794 8.9971 8.9971 9.5629 9.5629 9.9258 9.9258 k = 0.1951 0.1127-0.0000 ( 4526 PWs) bands (ev): -34.2844 -34.2844 -15.5548 -15.5548 -15.1894 -15.1894 -15.1635 -15.1635 -3.2807 -3.2807 -2.2982 -2.2982 -0.3352 -0.3352 -0.3214 -0.3214 -0.2825 -0.2825 -0.2116 -0.2116 0.0013 0.0013 0.0183 0.0183 0.0782 0.0782 0.1327 0.1327 0.1634 0.1634 0.2508 0.2508 2.4953 2.4953 4.0569 4.0569 5.2932 5.2932 5.6974 5.6974 6.6068 6.6068 6.9497 6.9497 8.3600 8.3600 9.0521 9.0521 9.5758 9.5758 9.9534 9.9534 k = 0.2073 0.1197-0.0000 ( 4526 PWs) bands (ev): -34.2843 -34.2843 -15.5552 -15.5552 -15.1896 -15.1896 -15.1643 -15.1643 -3.2462 -3.2462 -2.2834 -2.2834 -0.3330 -0.3330 -0.3188 -0.3188 -0.2832 -0.2832 -0.2092 -0.2092 0.0021 0.0021 0.0202 0.0202 0.0790 0.0790 0.1297 0.1297 0.1640 0.1640 0.2570 0.2570 2.5373 2.5373 3.9144 3.9144 5.1548 5.1548 5.6549 5.6549 6.5431 6.5431 6.8832 6.8832 8.3303 8.3303 9.1064 9.1064 9.5890 9.5890 9.9842 9.9842 k = 0.2195 0.1267-0.0000 ( 4528 PWs) bands (ev): -34.2843 -34.2843 -15.5556 -15.5556 -15.1899 -15.1899 -15.1650 -15.1650 -3.2103 -3.2103 -2.2683 -2.2683 -0.3308 -0.3308 -0.3159 -0.3159 -0.2838 -0.2838 -0.2067 -0.2067 0.0030 0.0030 0.0222 0.0222 0.0797 0.0797 0.1266 0.1266 0.1648 0.1648 0.2638 0.2638 2.5804 2.5804 3.7740 3.7740 5.0191 5.0191 5.6128 5.6128 6.4792 6.4792 6.8174 6.8174 8.2934 8.2934 9.1578 9.1578 9.6025 9.6025 10.0172 10.0172 k = 0.2317 0.1338-0.0000 ( 4522 PWs) bands (ev): -34.2842 -34.2842 -15.5559 -15.5559 -15.1901 -15.1901 -15.1658 -15.1658 -3.1728 -3.1728 -2.2532 -2.2532 -0.3284 -0.3284 -0.3128 -0.3128 -0.2843 -0.2843 -0.2042 -0.2042 0.0040 0.0040 0.0244 0.0244 0.0802 0.0802 0.1233 0.1233 0.1656 0.1656 0.2712 0.2712 2.6244 2.6244 3.6361 3.6361 4.8869 4.8869 5.5711 5.5711 6.4149 6.4149 6.7526 6.7526 8.2517 8.2517 9.2049 9.2049 9.6164 9.6164 10.0514 10.0514 k = 0.2439 0.1408-0.0000 ( 4526 PWs) bands (ev): -34.2841 -34.2841 -15.5563 -15.5563 -15.1904 -15.1904 -15.1665 -15.1665 -3.1341 -3.1341 -2.2380 -2.2380 -0.3261 -0.3261 -0.3095 -0.3095 -0.2847 -0.2847 -0.2015 -0.2015 0.0052 0.0052 0.0267 0.0267 0.0806 0.0806 0.1199 0.1199 0.1665 0.1665 0.2790 0.2790 2.6687 2.6687 3.5011 3.5011 4.7590 4.7590 5.5300 5.5300 6.3503 6.3503 6.6892 6.6892 8.2070 8.2070 9.2473 9.2473 9.6304 9.6304 10.0859 10.0859 k = 0.2561 0.1479-0.0000 ( 4526 PWs) bands (ev): -34.2841 -34.2841 -15.5567 -15.5567 -15.1906 -15.1906 -15.1672 -15.1672 -3.0943 -3.0943 -2.2231 -2.2231 -0.3238 -0.3238 -0.3060 -0.3060 -0.2848 -0.2848 -0.1987 -0.1987 0.0065 0.0065 0.0291 0.0291 0.0808 0.0808 0.1166 0.1166 0.1674 0.1674 0.2874 0.2874 2.7126 2.7126 3.3696 3.3696 4.6361 4.6361 5.4896 5.4896 6.2850 6.2850 6.6275 6.6275 8.1605 8.1605 9.2845 9.2845 9.6447 9.6447 10.1196 10.1196 k = 0.2683 0.1549-0.0000 ( 4526 PWs) bands (ev): -34.2840 -34.2840 -15.5571 -15.5571 -15.1909 -15.1909 -15.1679 -15.1679 -3.0534 -3.0534 -2.2084 -2.2084 -0.3215 -0.3215 -0.3022 -0.3022 -0.2848 -0.2848 -0.1957 -0.1957 0.0080 0.0080 0.0316 0.0316 0.0809 0.0809 0.1134 0.1134 0.1684 0.1684 0.2961 0.2961 2.7548 2.7548 3.2424 3.2424 4.5189 4.5189 5.4500 5.4500 6.2190 6.2190 6.5679 6.5679 8.1132 8.1132 9.3166 9.3166 9.6588 9.6588 10.1531 10.1531 k = 0.2805 0.1619-0.0000 ( 4522 PWs) bands (ev): -34.2839 -34.2839 -15.5575 -15.5575 -15.1912 -15.1912 -15.1686 -15.1686 -3.0116 -3.0116 -2.1942 -2.1942 -0.3192 -0.3192 -0.2984 -0.2984 -0.2845 -0.2845 -0.1926 -0.1926 0.0095 0.0095 0.0343 0.0343 0.0809 0.0809 0.1105 0.1105 0.1693 0.1693 0.3051 0.3051 2.7931 2.7931 3.1213 3.1213 4.4083 4.4083 5.4113 5.4113 6.1521 6.1521 6.5109 6.5109 8.0658 8.0658 9.3439 9.3439 9.6722 9.6722 10.1876 10.1876 k = 0.2927 0.1690-0.0000 ( 4522 PWs) bands (ev): -34.2839 -34.2839 -15.5579 -15.5579 -15.1915 -15.1915 -15.1692 -15.1692 -2.9692 -2.9692 -2.1806 -2.1806 -0.3170 -0.3170 -0.2947 -0.2947 -0.2837 -0.2837 -0.1893 -0.1893 0.0112 0.0112 0.0371 0.0371 0.0807 0.0807 0.1077 0.1077 0.1703 0.1703 0.3142 0.3142 2.8204 2.8204 3.0128 3.0128 4.3057 4.3057 5.3739 5.3739 6.0843 6.0843 6.4565 6.4565 8.0189 8.0189 9.3667 9.3667 9.6843 9.6843 10.2241 10.2241 k = 0.3049 0.1760-0.0000 ( 4520 PWs) bands (ev): -34.2838 -34.2838 -15.5583 -15.5583 -15.1918 -15.1918 -15.1698 -15.1698 -2.9262 -2.9262 -2.1677 -2.1677 -0.3149 -0.3149 -0.2917 -0.2917 -0.2819 -0.2819 -0.1858 -0.1858 0.0129 0.0129 0.0401 0.0401 0.0805 0.0805 0.1054 0.1054 0.1714 0.1714 0.3233 0.3233 2.8069 2.8069 2.9456 2.9456 4.2122 4.2122 5.3377 5.3377 6.0156 6.0156 6.4052 6.4052 7.9730 7.9730 9.3855 9.3855 9.6942 9.6942 10.2626 10.2626 k = 0.3171 0.1831-0.0000 ( 4518 PWs) bands (ev): -34.2837 -34.2837 -15.5587 -15.5587 -15.1921 -15.1921 -15.1704 -15.1704 -2.8830 -2.8830 -2.1557 -2.1557 -0.3129 -0.3129 -0.2897 -0.2897 -0.2788 -0.2788 -0.1820 -0.1820 0.0146 0.0146 0.0431 0.0431 0.0803 0.0803 0.1035 0.1035 0.1725 0.1725 0.3321 0.3321 2.7282 2.7282 2.9430 2.9430 4.1298 4.1298 5.3029 5.3029 5.9460 5.9460 6.3570 6.3570 7.9284 7.9284 9.4011 9.4011 9.7011 9.7011 10.3031 10.3031 k = 0.3293 0.1901-0.0000 ( 4520 PWs) bands (ev): -34.2837 -34.2837 -15.5591 -15.5591 -15.1925 -15.1925 -15.1709 -15.1709 -2.8397 -2.8397 -2.1448 -2.1448 -0.3110 -0.3110 -0.2886 -0.2886 -0.2745 -0.2745 -0.1781 -0.1781 0.0163 0.0163 0.0460 0.0460 0.0801 0.0801 0.1021 0.1021 0.1737 0.1737 0.3406 0.3406 2.6298 2.6298 2.9578 2.9578 4.0603 4.0603 5.2698 5.2698 5.8755 5.8755 6.3119 6.3119 7.8854 7.8854 9.4140 9.4140 9.7042 9.7042 10.3456 10.3457 k = 0.3415 0.1971-0.0000 ( 4516 PWs) bands (ev): -34.2836 -34.2836 -15.5594 -15.5594 -15.1928 -15.1928 -15.1714 -15.1714 -2.7966 -2.7966 -2.1350 -2.1350 -0.3092 -0.3092 -0.2879 -0.2879 -0.2697 -0.2697 -0.1739 -0.1739 0.0179 0.0179 0.0488 0.0488 0.0802 0.0802 0.1014 0.1014 0.1750 0.1750 0.3484 0.3484 2.5313 2.5313 2.9691 2.9691 4.0057 4.0057 5.2385 5.2385 5.8046 5.8046 6.2701 6.2701 7.8444 7.8444 9.4249 9.4249 9.7034 9.7034 10.3909 10.3911 k = 0.3537 0.2042-0.0000 ( 4528 PWs) bands (ev): -34.2835 -34.2835 -15.5598 -15.5598 -15.1932 -15.1932 -15.1719 -15.1719 -2.7539 -2.7539 -2.1265 -2.1265 -0.3076 -0.3076 -0.2875 -0.2875 -0.2646 -0.2646 -0.1696 -0.1696 0.0194 0.0194 0.0510 0.0510 0.0806 0.0806 0.1014 0.1014 0.1766 0.1766 0.3552 0.3552 2.4369 2.4369 2.9714 2.9714 3.9676 3.9676 5.2089 5.2089 5.7332 5.7332 6.2315 6.2315 7.8054 7.8054 9.4341 9.4341 9.6987 9.6987 10.4374 10.4376 k = 0.3659 0.2112-0.0000 ( 4540 PWs) bands (ev): -34.2835 -34.2835 -15.5601 -15.5601 -15.1935 -15.1935 -15.1723 -15.1723 -2.7120 -2.7120 -2.1195 -2.1195 -0.3061 -0.3061 -0.2872 -0.2872 -0.2595 -0.2595 -0.1650 -0.1650 0.0208 0.0208 0.0524 0.0524 0.0817 0.0817 0.1024 0.1024 0.1785 0.1785 0.3608 0.3608 2.3480 2.3480 2.9633 2.9633 3.9467 3.9467 5.1814 5.1814 5.6619 5.6619 6.1962 6.1962 7.7689 7.7689 9.4422 9.4422 9.6906 9.6906 10.4852 10.4854 k = 0.3780 0.2183-0.0000 ( 4536 PWs) bands (ev): -34.2834 -34.2834 -15.5604 -15.5604 -15.1938 -15.1938 -15.1727 -15.1727 -2.6712 -2.6712 -2.1139 -2.1139 -0.3047 -0.3047 -0.2869 -0.2869 -0.2544 -0.2544 -0.1603 -0.1603 0.0221 0.0221 0.0528 0.0528 0.0833 0.0833 0.1048 0.1048 0.1809 0.1809 0.3649 0.3649 2.2656 2.2656 2.9449 2.9449 3.9421 3.9421 5.1560 5.1560 5.5910 5.5910 6.1641 6.1641 7.7349 7.7349 9.4494 9.4494 9.6796 9.6796 10.5349 10.5352 k = 0.3902 0.2253-0.0000 ( 4544 PWs) bands (ev): -34.2834 -34.2834 -15.5607 -15.5607 -15.1941 -15.1941 -15.1730 -15.1730 -2.6317 -2.6317 -2.1098 -2.1098 -0.3034 -0.3034 -0.2867 -0.2867 -0.2496 -0.2496 -0.1555 -0.1555 0.0233 0.0233 0.0522 0.0522 0.0850 0.0850 0.1085 0.1085 0.1840 0.1840 0.3671 0.3671 2.1901 2.1901 2.9181 2.9181 3.9519 3.9519 5.1328 5.1328 5.5208 5.5208 6.1351 6.1351 7.7036 7.7036 9.4559 9.4559 9.6667 9.6667 10.5804 10.5822 k = 0.4024 0.2323-0.0000 ( 4542 PWs) bands (ev): -34.2834 -34.2834 -15.5610 -15.5610 -15.1944 -15.1944 -15.1733 -15.1733 -2.5941 -2.5941 -2.1073 -2.1073 -0.3023 -0.3023 -0.2864 -0.2864 -0.2450 -0.2450 -0.1506 -0.1506 0.0244 0.0244 0.0510 0.0510 0.0863 0.0863 0.1136 0.1136 0.1881 0.1881 0.3672 0.3672 2.1222 2.1222 2.8856 2.8856 3.9732 3.9732 5.1119 5.1119 5.4521 5.4521 6.1093 6.1093 7.6752 7.6752 9.4619 9.4619 9.6524 9.6524 10.6298 10.6351 k = 0.4146 0.2394-0.0000 ( 4532 PWs) bands (ev): -34.2833 -34.2833 -15.5612 -15.5612 -15.1946 -15.1946 -15.1736 -15.1736 -2.5586 -2.5586 -2.1062 -2.1062 -0.3012 -0.3012 -0.2863 -0.2863 -0.2409 -0.2409 -0.1458 -0.1458 0.0256 0.0256 0.0494 0.0494 0.0874 0.0874 0.1195 0.1195 0.1935 0.1935 0.3649 0.3649 2.0621 2.0621 2.8501 2.8501 4.0027 4.0027 5.0935 5.0935 5.3856 5.3856 6.0866 6.0866 7.6498 7.6498 9.4676 9.4676 9.6377 9.6377 10.6830 10.6877 k = 0.4268 0.2464-0.0000 ( 4538 PWs) bands (ev): -34.2833 -34.2833 -15.5614 -15.5614 -15.1949 -15.1949 -15.1738 -15.1738 -2.5259 -2.5259 -2.1065 -2.1065 -0.3003 -0.3003 -0.2862 -0.2862 -0.2372 -0.2372 -0.1413 -0.1413 0.0267 0.0267 0.0475 0.0475 0.0881 0.0881 0.1255 0.1255 0.2007 0.2007 0.3601 0.3601 2.0101 2.0101 2.8143 2.8143 4.0374 4.0374 5.0776 5.0776 5.3221 5.3221 6.0669 6.0669 7.6275 7.6275 9.4729 9.4729 9.6232 9.6232 10.7293 10.7347 k = 0.4390 0.2535-0.0000 ( 4544 PWs) bands (ev): -34.2833 -34.2833 -15.5616 -15.5616 -15.1951 -15.1951 -15.1740 -15.1740 -2.4964 -2.4964 -2.1079 -2.1079 -0.2996 -0.2996 -0.2861 -0.2861 -0.2341 -0.2341 -0.1372 -0.1372 0.0278 0.0278 0.0454 0.0454 0.0886 0.0886 0.1309 0.1309 0.2100 0.2100 0.3527 0.3527 1.9663 1.9663 2.7805 2.7805 4.0743 4.0743 5.0644 5.0644 5.2629 5.2629 6.0503 6.0503 7.6084 7.6084 9.4780 9.4780 9.6094 9.6094 10.7756 10.7796 k = 0.4512 0.2605-0.0000 ( 4548 PWs) bands (ev): -34.2832 -34.2832 -15.5617 -15.5617 -15.1953 -15.1953 -15.1741 -15.1741 -2.4708 -2.4708 -2.1102 -2.1102 -0.2989 -0.2989 -0.2861 -0.2861 -0.2314 -0.2314 -0.1336 -0.1336 0.0290 0.0290 0.0433 0.0433 0.0890 0.0890 0.1354 0.1354 0.2214 0.2214 0.3429 0.3429 1.9307 1.9307 2.7504 2.7504 4.1105 4.1105 5.0540 5.0540 5.2093 5.2093 6.0368 6.0368 7.5927 7.5927 9.4827 9.4827 9.5970 9.5970 10.8210 10.8223 k = 0.4634 0.2676-0.0000 ( 4540 PWs) bands (ev): -34.2832 -34.2832 -15.5618 -15.5618 -15.1954 -15.1954 -15.1742 -15.1742 -2.4497 -2.4497 -2.1127 -2.1127 -0.2984 -0.2984 -0.2860 -0.2860 -0.2293 -0.2293 -0.1307 -0.1307 0.0303 0.0303 0.0413 0.0413 0.0893 0.0893 0.1388 0.1388 0.2349 0.2349 0.3309 0.3309 1.9033 1.9033 2.7255 2.7255 4.1432 4.1432 5.0468 5.0468 5.1632 5.1632 6.0263 6.0263 7.5804 7.5804 9.4869 9.4869 9.5865 9.5865 10.8558 10.8566 k = 0.4756 0.2746-0.0000 ( 4552 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1955 -15.1955 -15.1743 -15.1743 -2.4340 -2.4340 -2.1152 -2.1152 -0.2980 -0.2980 -0.2860 -0.2860 -0.2279 -0.2279 -0.1285 -0.1285 0.0317 0.0317 0.0392 0.0392 0.0894 0.0894 0.1411 0.1411 0.2497 0.2497 0.3171 0.3171 1.8838 1.8838 2.7070 2.7070 4.1693 4.1693 5.0429 5.0429 5.1266 5.1266 6.0187 6.0187 7.5716 7.5716 9.4903 9.4903 9.5783 9.5783 10.8812 10.8820 k = 0.4878 0.2816-0.0000 ( 4554 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4242 -2.4242 -2.1169 -2.1169 -0.2978 -0.2978 -0.2860 -0.2860 -0.2270 -0.2270 -0.1271 -0.1271 0.0331 0.0331 0.0375 0.0375 0.0896 0.0896 0.1425 0.1425 0.2649 0.2649 0.3026 0.3026 1.8723 1.8723 2.6955 2.6955 4.1864 4.1864 5.0420 5.0420 5.1020 5.1020 6.0142 6.0142 7.5663 7.5663 9.4926 9.4926 9.5730 9.5730 10.8966 10.8972 k = 0.5000 0.2887-0.0000 ( 4554 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4208 -2.4208 -2.1175 -2.1175 -0.2977 -0.2977 -0.2860 -0.2860 -0.2267 -0.2267 -0.1267 -0.1267 0.0339 0.0339 0.0365 0.0365 0.0896 0.0896 0.1429 0.1429 0.2748 0.2748 0.2930 0.2930 1.8684 1.8684 2.6917 2.6917 4.1923 4.1923 5.0423 5.0423 5.0930 5.0930 6.0127 6.0127 7.5645 7.5645 9.4935 9.4935 9.5712 9.5712 10.9020 10.9024 k = 0.5000 0.2887-0.0000 ( 4554 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4208 -2.4208 -2.1175 -2.1175 -0.2977 -0.2977 -0.2860 -0.2860 -0.2267 -0.2267 -0.1267 -0.1267 0.0339 0.0339 0.0365 0.0365 0.0896 0.0896 0.1429 0.1429 0.2748 0.2748 0.2930 0.2930 1.8684 1.8684 2.6917 2.6917 4.1923 4.1923 5.0423 5.0423 5.0930 5.0930 6.0127 6.0127 7.5645 7.5645 9.4935 9.4935 9.5712 9.5712 10.9020 10.9025 k = 0.4931 0.3007-0.0000 ( 4550 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4202 -2.4202 -2.1174 -2.1174 -0.2977 -0.2977 -0.2860 -0.2860 -0.2268 -0.2268 -0.1265 -0.1265 0.0337 0.0337 0.0368 0.0368 0.0896 0.0896 0.1429 0.1429 0.2744 0.2744 0.2938 0.2938 1.8696 1.8696 2.6912 2.6912 4.1933 4.1933 5.0271 5.0271 5.0964 5.0964 6.0077 6.0077 7.5791 7.5791 9.4939 9.4939 9.5750 9.5750 10.9029 10.9037 k = 0.4861 0.3127-0.0000 ( 4536 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1955 -15.1955 -15.1745 -15.1745 -2.4183 -2.4183 -2.1169 -2.1169 -0.2976 -0.2976 -0.2858 -0.2858 -0.2271 -0.2271 -0.1261 -0.1261 0.0332 0.0332 0.0377 0.0377 0.0896 0.0896 0.1428 0.1428 0.2733 0.2733 0.2961 0.2961 1.8730 1.8730 2.6899 2.6899 4.1962 4.1962 4.9876 4.9876 5.1013 5.1013 5.9926 5.9926 7.6218 7.6218 9.4953 9.4953 9.5861 9.5861 10.9048 10.9051 k = 0.4792 0.3248-0.0000 ( 4534 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1954 -15.1954 -15.1746 -15.1746 -2.4153 -2.4153 -2.1162 -2.1162 -0.2975 -0.2975 -0.2856 -0.2856 -0.2276 -0.2276 -0.1254 -0.1254 0.0327 0.0327 0.0387 0.0387 0.0896 0.0896 0.1425 0.1425 0.2719 0.2719 0.2995 0.2995 1.8788 1.8788 2.6877 2.6877 4.2010 4.2010 4.9295 4.9295 5.1047 5.1047 5.9681 5.9681 7.6904 7.6904 9.4978 9.4978 9.6033 9.6033 10.8861 10.8862 k = 0.4722 0.3368-0.0000 ( 4538 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1953 -15.1953 -15.1748 -15.1748 -2.4110 -2.4110 -2.1153 -2.1153 -0.2974 -0.2974 -0.2853 -0.2853 -0.2284 -0.2284 -0.1244 -0.1244 0.0324 0.0324 0.0398 0.0398 0.0895 0.0895 0.1421 0.1421 0.2705 0.2705 0.3036 0.3036 1.8869 1.8869 2.6846 2.6846 4.2075 4.2075 4.8560 4.8560 5.1066 5.1066 5.9349 5.9349 7.7812 7.7812 9.5014 9.5014 9.6252 9.6252 10.8185 10.8185 k = 0.4653 0.3488-0.0000 ( 4541 PWs) bands (ev): -34.2832 -34.2832 -15.5621 -15.5621 -15.1952 -15.1952 -15.1751 -15.1751 -2.4055 -2.4055 -2.1141 -2.1141 -0.2972 -0.2972 -0.2850 -0.2850 -0.2293 -0.2293 -0.1233 -0.1233 0.0322 0.0322 0.0409 0.0409 0.0895 0.0895 0.1416 0.1416 0.2692 0.2692 0.3084 0.3084 1.8972 1.8972 2.6805 2.6805 4.2153 4.2153 4.7706 4.7706 5.1076 5.1076 5.8941 5.8941 7.8906 7.8906 9.5061 9.5061 9.6499 9.6499 10.7330 10.7330 k = 0.4583 0.3608-0.0000 ( 4541 PWs) bands (ev): -34.2832 -34.2832 -15.5621 -15.5621 -15.1951 -15.1951 -15.1754 -15.1754 -2.3988 -2.3988 -2.1127 -2.1127 -0.2970 -0.2970 -0.2845 -0.2845 -0.2303 -0.2303 -0.1219 -0.1219 0.0322 0.0322 0.0421 0.0421 0.0894 0.0894 0.1409 0.1409 0.2682 0.2682 0.3136 0.3136 1.9096 1.9096 2.6753 2.6753 4.2235 4.2235 4.6773 4.6773 5.1076 5.1076 5.8469 5.8469 8.0148 8.0148 9.5119 9.5119 9.6758 9.6758 10.6385 10.6385 k = 0.4514 0.3729-0.0000 ( 4537 PWs) bands (ev): -34.2831 -34.2831 -15.5621 -15.5621 -15.1949 -15.1949 -15.1757 -15.1757 -2.3911 -2.3911 -2.1112 -2.1112 -0.2968 -0.2968 -0.2840 -0.2840 -0.2315 -0.2315 -0.1203 -0.1203 0.0324 0.0324 0.0434 0.0434 0.0894 0.0894 0.1401 0.1401 0.2674 0.2674 0.3194 0.3194 1.9243 1.9243 2.6691 2.6691 4.2304 4.2304 4.5809 4.5809 5.1068 5.1068 5.7945 5.7945 8.1505 8.1505 9.5184 9.5184 9.7011 9.7011 10.5394 10.5394 k = 0.4444 0.3849-0.0000 ( 4527 PWs) bands (ev): -34.2831 -34.2831 -15.5622 -15.5622 -15.1947 -15.1947 -15.1760 -15.1760 -2.3823 -2.3823 -2.1097 -2.1097 -0.2966 -0.2966 -0.2833 -0.2833 -0.2327 -0.2327 -0.1186 -0.1186 0.0328 0.0328 0.0447 0.0447 0.0893 0.0893 0.1391 0.1391 0.2669 0.2669 0.3256 0.3256 1.9410 1.9410 2.6617 2.6617 4.2309 4.2309 4.4887 4.4887 5.1050 5.1050 5.7384 5.7384 8.2944 8.2944 9.5256 9.5256 9.7243 9.7243 10.4391 10.4391 k = 0.4375 0.3969-0.0000 ( 4533 PWs) bands (ev): -34.2831 -34.2831 -15.5622 -15.5622 -15.1944 -15.1944 -15.1765 -15.1765 -2.3725 -2.3725 -2.1082 -2.1082 -0.2964 -0.2964 -0.2826 -0.2826 -0.2339 -0.2339 -0.1168 -0.1168 0.0333 0.0333 0.0460 0.0460 0.0892 0.0892 0.1379 0.1379 0.2667 0.2667 0.3320 0.3320 1.9598 1.9598 2.6531 2.6531 4.2114 4.2114 4.4164 4.4164 5.1021 5.1021 5.6799 5.6799 8.4439 8.4439 9.5329 9.5329 9.7445 9.7445 10.3404 10.3404 k = 0.4306 0.4090-0.0000 ( 4533 PWs) bands (ev): -34.2831 -34.2831 -15.5623 -15.5623 -15.1942 -15.1942 -15.1769 -15.1769 -2.3617 -2.3617 -2.1068 -2.1068 -0.2961 -0.2961 -0.2818 -0.2818 -0.2353 -0.2353 -0.1149 -0.1149 0.0340 0.0340 0.0475 0.0475 0.0890 0.0890 0.1365 0.1365 0.2667 0.2667 0.3388 0.3388 1.9804 1.9804 2.6432 2.6432 4.1540 4.1540 4.3837 4.3837 5.0976 5.0976 5.6202 5.6202 8.5964 8.5964 9.5399 9.5399 9.7609 9.7609 10.2456 10.2456 k = 0.4236 0.4210-0.0000 ( 4529 PWs) bands (ev): -34.2831 -34.2831 -15.5623 -15.5623 -15.1939 -15.1939 -15.1774 -15.1774 -2.3501 -2.3501 -2.1056 -2.1056 -0.2959 -0.2959 -0.2809 -0.2809 -0.2366 -0.2366 -0.1130 -0.1130 0.0347 0.0347 0.0491 0.0491 0.0889 0.0889 0.1349 0.1349 0.2671 0.2671 0.3457 0.3457 2.0028 2.0028 2.6320 2.6320 4.0673 4.0673 4.3836 4.3836 5.0915 5.0915 5.5605 5.5605 8.7490 8.7490 9.5458 9.5458 9.7736 9.7736 10.1576 10.1576 k = 0.4167 0.4330-0.0000 ( 4533 PWs) bands (ev): -34.2831 -34.2831 -15.5624 -15.5624 -15.1937 -15.1937 -15.1779 -15.1779 -2.3377 -2.3377 -2.1047 -2.1047 -0.2957 -0.2957 -0.2800 -0.2800 -0.2379 -0.2379 -0.1110 -0.1110 0.0355 0.0355 0.0509 0.0509 0.0887 0.0887 0.1332 0.1332 0.2678 0.2678 0.3526 0.3526 2.0268 2.0268 2.6194 2.6194 3.9699 3.9699 4.3986 4.3986 5.0833 5.0833 5.5020 5.5020 8.8989 8.8989 9.5498 9.5498 9.7827 9.7827 10.0791 10.0791 k = 0.4097 0.4450-0.0000 ( 4539 PWs) bands (ev): -34.2831 -34.2831 -15.5625 -15.5625 -15.1934 -15.1934 -15.1784 -15.1784 -2.3245 -2.3245 -2.1042 -2.1042 -0.2955 -0.2955 -0.2790 -0.2790 -0.2391 -0.2391 -0.1090 -0.1090 0.0362 0.0362 0.0530 0.0530 0.0885 0.0885 0.1314 0.1314 0.2688 0.2688 0.3594 0.3594 2.0522 2.0522 2.6054 2.6054 3.8708 3.8708 4.4209 4.4209 5.0727 5.0727 5.4456 5.4456 9.0422 9.0422 9.5506 9.5506 9.7885 9.7885 10.0142 10.0142 k = 0.4028 0.4571-0.0000 ( 4547 PWs) bands (ev): -34.2831 -34.2831 -15.5626 -15.5626 -15.1931 -15.1931 -15.1790 -15.1790 -2.3108 -2.3108 -2.1042 -2.1042 -0.2954 -0.2954 -0.2780 -0.2780 -0.2403 -0.2403 -0.1070 -0.1070 0.0369 0.0369 0.0553 0.0553 0.0882 0.0882 0.1294 0.1294 0.2700 0.2700 0.3661 0.3661 2.0787 2.0787 2.5900 2.5900 3.7738 3.7738 4.4476 4.4476 5.0595 5.0595 5.3921 5.3921 9.1733 9.1733 9.5482 9.5482 9.7913 9.7913 9.9678 9.9678 k = 0.3958 0.4691-0.0000 ( 4539 PWs) bands (ev): -34.2830 -34.2830 -15.5626 -15.5626 -15.1928 -15.1928 -15.1795 -15.1795 -2.2965 -2.2965 -2.1049 -2.1049 -0.2952 -0.2952 -0.2769 -0.2769 -0.2414 -0.2414 -0.1051 -0.1051 0.0375 0.0375 0.0579 0.0579 0.0880 0.0880 0.1274 0.1274 0.2717 0.2717 0.3724 0.3724 2.1061 2.1061 2.5733 2.5733 3.6811 3.6811 4.4775 4.4775 5.0436 5.0436 5.3421 5.3421 9.2822 9.2822 9.5465 9.5465 9.7913 9.7913 9.9455 9.9455 k = 0.3889 0.4811-0.0000 ( 4527 PWs) bands (ev): -34.2830 -34.2830 -15.5627 -15.5627 -15.1925 -15.1925 -15.1799 -15.1799 -2.2818 -2.2818 -2.1064 -2.1064 -0.2951 -0.2951 -0.2758 -0.2758 -0.2424 -0.2424 -0.1032 -0.1032 0.0379 0.0379 0.0608 0.0608 0.0877 0.0877 0.1254 0.1254 0.2737 0.2737 0.3782 0.3782 2.1340 2.1340 2.5554 2.5554 3.5942 3.5942 4.5100 4.5100 5.0250 5.0250 5.2961 5.2961 9.3505 9.3505 9.5583 9.5583 9.7887 9.7887 9.9519 9.9519 k = 0.3819 0.4932-0.0000 ( 4527 PWs) bands (ev): -34.2830 -34.2830 -15.5627 -15.5627 -15.1922 -15.1922 -15.1804 -15.1804 -2.2668 -2.2668 -2.1087 -2.1087 -0.2950 -0.2950 -0.2747 -0.2747 -0.2434 -0.2434 -0.1014 -0.1014 0.0383 0.0383 0.0638 0.0638 0.0874 0.0874 0.1233 0.1233 0.2759 0.2759 0.3834 0.3834 2.1619 2.1619 2.5366 2.5366 3.5143 3.5143 4.5447 4.5447 5.0040 5.0040 5.2539 5.2539 9.3671 9.3671 9.5925 9.5925 9.7846 9.7846 9.9878 9.9878 k = 0.3750 0.5052-0.0000 ( 4533 PWs) bands (ev): -34.2830 -34.2830 -15.5628 -15.5628 -15.1919 -15.1919 -15.1809 -15.1809 -2.2516 -2.2516 -2.1121 -2.1121 -0.2949 -0.2949 -0.2737 -0.2737 -0.2442 -0.2442 -0.0998 -0.0998 0.0385 0.0385 0.0668 0.0668 0.0870 0.0870 0.1212 0.1212 0.2784 0.2784 0.3878 0.3878 2.1893 2.1893 2.5172 2.5172 3.4425 3.4425 4.5812 4.5812 4.9812 4.9812 5.2155 5.2155 9.3521 9.3521 9.6316 9.6316 9.7802 9.7802 10.0491 10.0491 k = 0.3681 0.5172-0.0000 ( 4535 PWs) bands (ev): -34.2830 -34.2830 -15.5628 -15.5628 -15.1917 -15.1917 -15.1813 -15.1813 -2.2363 -2.2363 -2.1167 -2.1167 -0.2948 -0.2948 -0.2727 -0.2727 -0.2449 -0.2449 -0.0983 -0.0983 0.0386 0.0386 0.0698 0.0698 0.0867 0.0867 0.1193 0.1193 0.2811 0.2811 0.3913 0.3913 2.2154 2.2154 2.4976 2.4976 3.3800 3.3800 4.6193 4.6193 4.9571 4.9571 5.1806 5.1806 9.3266 9.3266 9.6625 9.6625 9.7762 9.7762 10.1270 10.1270 k = 0.3611 0.5292-0.0000 ( 4547 PWs) bands (ev): -34.2830 -34.2830 -15.5629 -15.5629 -15.1915 -15.1915 -15.1817 -15.1817 -2.2212 -2.2212 -2.1226 -2.1226 -0.2948 -0.2948 -0.2719 -0.2719 -0.2455 -0.2455 -0.0970 -0.0970 0.0386 0.0386 0.0725 0.0725 0.0864 0.0864 0.1175 0.1175 0.2838 0.2838 0.3939 0.3939 2.2395 2.2395 2.4785 2.4785 3.3275 3.3275 4.6584 4.6584 4.9323 4.9323 5.1491 5.1491 9.3003 9.3003 9.6843 9.6843 9.7731 9.7731 10.2123 10.2123 k = 0.3542 0.5413-0.0000 ( 4553 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1913 -15.1913 -15.1820 -15.1820 -2.2062 -2.2062 -2.1298 -2.1298 -0.2948 -0.2948 -0.2712 -0.2712 -0.2459 -0.2459 -0.0960 -0.0960 0.0385 0.0385 0.0749 0.0749 0.0862 0.0862 0.1160 0.1160 0.2865 0.2865 0.3955 0.3955 2.2604 2.2604 2.4608 2.4608 3.2861 3.2861 4.6980 4.6980 4.9067 4.9067 5.1216 5.1216 9.2773 9.2773 9.6989 9.6989 9.7713 9.7713 10.2987 10.2987 k = 0.3472 0.5533-0.0000 ( 4553 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1912 -15.1912 -15.1823 -15.1823 -2.1917 -2.1917 -2.1386 -2.1386 -0.2948 -0.2948 -0.2707 -0.2707 -0.2462 -0.2462 -0.0952 -0.0952 0.0385 0.0385 0.0766 0.0766 0.0862 0.0862 0.1149 0.1149 0.2889 0.2889 0.3964 0.3964 2.2769 2.2769 2.4460 2.4460 3.2563 3.2563 4.7372 4.7372 4.8803 4.8803 5.0992 5.0992 9.2598 9.2598 9.7078 9.7078 9.7710 9.7710 10.3823 10.3823 k = 0.3403 0.5653-0.0000 ( 4555 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1781 -2.1781 -2.1485 -2.1485 -0.2947 -0.2947 -0.2704 -0.2704 -0.2463 -0.2463 -0.0946 -0.0946 0.0385 0.0385 0.0776 0.0776 0.0863 0.0863 0.1141 0.1141 0.2907 0.2907 0.3966 0.3966 2.2874 2.2874 2.4360 2.4360 3.2384 3.2384 4.7737 4.7737 4.8533 4.8533 5.0839 5.0839 9.2489 9.2489 9.7122 9.7122 9.7715 9.7715 10.4603 10.4603 k = 0.3333 0.5774-0.0000 ( 4551 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1695 -2.1695 -2.1559 -2.1559 -0.2947 -0.2947 -0.2703 -0.2703 -0.2463 -0.2463 -0.0945 -0.0945 0.0384 0.0384 0.0779 0.0779 0.0864 0.0864 0.1139 0.1139 0.2914 0.2914 0.3966 0.3966 2.2910 2.2910 2.4324 2.4324 3.2326 3.2326 4.7955 4.7955 4.8351 4.8351 5.0783 5.0783 9.2451 9.2451 9.7134 9.7134 9.7719 9.7719 10.5146 10.5146 k = 0.3333 0.5774-0.0000 ( 4551 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1695 -2.1695 -2.1559 -2.1559 -0.2947 -0.2947 -0.2703 -0.2703 -0.2463 -0.2463 -0.0945 -0.0945 0.0384 0.0384 0.0779 0.0779 0.0864 0.0864 0.1139 0.1139 0.2914 0.2914 0.3966 0.3966 2.2910 2.2910 2.4324 2.4324 3.2326 3.2326 4.7955 4.7955 4.8351 4.8351 5.0783 5.0783 9.2451 9.2451 9.7134 9.7134 9.7719 9.7719 10.5145 10.5146 k = 0.3264 0.5653-0.0000 ( 4555 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1787 -2.1787 -2.1480 -2.1480 -0.2947 -0.2947 -0.2704 -0.2704 -0.2463 -0.2463 -0.0947 -0.0947 0.0385 0.0385 0.0777 0.0777 0.0862 0.0862 0.1141 0.1141 0.2905 0.2905 0.3968 0.3968 2.2879 2.2879 2.4359 2.4359 3.2382 3.2382 4.7734 4.7734 4.8530 4.8530 5.0846 5.0846 9.2489 9.2489 9.7124 9.7124 9.7712 9.7712 10.4840 10.4840 k = 0.3194 0.5533-0.0000 ( 4547 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1912 -15.1912 -15.1823 -15.1823 -2.1944 -2.1944 -2.1364 -2.1364 -0.2947 -0.2947 -0.2707 -0.2707 -0.2463 -0.2463 -0.0953 -0.0953 0.0386 0.0386 0.0771 0.0771 0.0857 0.0857 0.1148 0.1148 0.2878 0.2878 0.3975 0.3975 2.2805 2.2805 2.4455 2.4455 3.2546 3.2546 4.7350 4.7350 4.8780 4.8780 5.1040 5.1040 9.2603 9.2603 9.7094 9.7094 9.7689 9.7689 10.4464 10.4464 k = 0.3125 0.5413-0.0000 ( 4539 PWs) bands (ev): -34.2830 -34.2830 -15.5629 -15.5629 -15.1912 -15.1912 -15.1820 -15.1820 -2.2127 -2.2127 -2.1253 -2.1253 -0.2948 -0.2948 -0.2712 -0.2712 -0.2462 -0.2462 -0.0963 -0.0963 0.0388 0.0388 0.0762 0.0762 0.0849 0.0849 0.1156 0.1156 0.2829 0.2829 0.3989 0.3989 2.2714 2.2714 2.4601 2.4601 3.2806 3.2806 4.6913 4.6913 4.9006 4.9006 5.1354 5.1354 9.2791 9.2791 9.7039 9.7039 9.7652 9.7652 10.4098 10.4098 k = 0.3056 0.5292-0.0000 ( 4531 PWs) bands (ev): -34.2830 -34.2830 -15.5629 -15.5629 -15.1914 -15.1914 -15.1817 -15.1817 -2.2333 -2.2333 -2.1150 -2.1150 -0.2948 -0.2948 -0.2718 -0.2718 -0.2462 -0.2462 -0.0978 -0.0978 0.0391 0.0391 0.0751 0.0751 0.0838 0.0838 0.1166 0.1166 0.2759 0.2759 0.4012 0.4012 2.2626 2.2626 2.4790 2.4790 3.3149 3.3149 4.6441 4.6441 4.9217 4.9217 5.1765 5.1765 9.3050 9.3050 9.6946 9.6946 9.7612 9.7612 10.3753 10.3753 k = 0.2986 0.5172-0.0000 ( 4531 PWs) bands (ev): -34.2830 -34.2830 -15.5628 -15.5628 -15.1915 -15.1915 -15.1814 -15.1814 -2.2561 -2.2561 -2.1058 -2.1058 -0.2949 -0.2949 -0.2726 -0.2726 -0.2464 -0.2464 -0.0999 -0.0999 0.0395 0.0395 0.0737 0.0737 0.0826 0.0826 0.1175 0.1175 0.2672 0.2672 0.4040 0.4040 2.2558 2.2558 2.5020 2.5020 3.3564 3.3564 4.5945 4.5945 4.9430 4.9430 5.2247 5.2247 9.3376 9.3376 9.6803 9.6803 9.7584 9.7584 10.3431 10.3432 k = 0.2917 0.5052-0.0000 ( 4535 PWs) bands (ev): -34.2830 -34.2830 -15.5627 -15.5627 -15.1917 -15.1917 -15.1810 -15.1810 -2.2810 -2.2810 -2.0978 -2.0978 -0.2950 -0.2950 -0.2735 -0.2735 -0.2468 -0.2468 -0.1025 -0.1025 0.0401 0.0401 0.0720 0.0720 0.0813 0.0813 0.1182 0.1182 0.2571 0.2571 0.4070 0.4070 2.2522 2.2522 2.5290 2.5290 3.4038 3.4038 4.5435 4.5435 4.9659 4.9659 5.2780 5.2780 9.3760 9.3760 9.6609 9.6609 9.7575 9.7575 10.3134 10.3134 k = 0.2847 0.4932-0.0000 ( 4535 PWs) bands (ev): -34.2830 -34.2830 -15.5626 -15.5626 -15.1918 -15.1918 -15.1806 -15.1806 -2.3082 -2.3082 -2.0910 -2.0910 -0.2951 -0.2951 -0.2745 -0.2745 -0.2474 -0.2474 -0.1056 -0.1056 0.0408 0.0408 0.0700 0.0700 0.0801 0.0801 0.1186 0.1186 0.2463 0.2463 0.4099 0.4099 2.2527 2.2527 2.5600 2.5600 3.4557 3.4557 4.4923 4.4923 4.9913 4.9913 5.3350 5.3350 9.4183 9.4183 9.6381 9.6381 9.7586 9.7586 10.2855 10.2855 k = 0.2778 0.4811-0.0000 ( 4537 PWs) bands (ev): -34.2831 -34.2831 -15.5625 -15.5625 -15.1920 -15.1920 -15.1801 -15.1801 -2.3375 -2.3375 -2.0856 -2.0856 -0.2953 -0.2953 -0.2756 -0.2756 -0.2482 -0.2482 -0.1093 -0.1093 0.0415 0.0415 0.0678 0.0678 0.0789 0.0789 0.1186 0.1186 0.2353 0.2353 0.4123 0.4123 2.2580 2.2580 2.5949 2.5949 3.5109 3.5109 4.4421 4.4421 5.0197 5.0197 5.3950 5.3950 9.4595 9.4595 9.6174 9.6174 9.7613 9.7613 10.2585 10.2585 k = 0.2708 0.4691-0.0000 ( 4541 PWs) bands (ev): -34.2831 -34.2831 -15.5623 -15.5623 -15.1921 -15.1921 -15.1796 -15.1796 -2.3688 -2.3688 -2.0816 -2.0816 -0.2955 -0.2955 -0.2768 -0.2768 -0.2493 -0.2493 -0.1134 -0.1134 0.0423 0.0423 0.0654 0.0654 0.0777 0.0777 0.1182 0.1182 0.2245 0.2245 0.4138 0.4138 2.2687 2.2687 2.6334 2.6334 3.5680 3.5680 4.3945 4.3945 5.0511 5.0511 5.4574 5.4574 9.4839 9.4839 9.6149 9.6149 9.7653 9.7653 10.2307 10.2307 k = 0.2639 0.4571-0.0000 ( 4539 PWs) bands (ev): -34.2831 -34.2831 -15.5621 -15.5621 -15.1922 -15.1922 -15.1790 -15.1790 -2.4020 -2.4020 -2.0790 -2.0790 -0.2958 -0.2958 -0.2780 -0.2780 -0.2507 -0.2507 -0.1180 -0.1180 0.0431 0.0431 0.0630 0.0630 0.0766 0.0766 0.1173 0.1173 0.2144 0.2144 0.4143 0.4143 2.2853 2.2853 2.6750 2.6750 3.6254 3.6254 4.3515 4.3515 5.0857 5.0857 5.5217 5.5217 9.4739 9.4739 9.6486 9.6486 9.7701 9.7701 10.2002 10.2002 k = 0.2569 0.4450-0.0000 ( 4535 PWs) bands (ev): -34.2831 -34.2831 -15.5619 -15.5619 -15.1923 -15.1923 -15.1785 -15.1785 -2.4371 -2.4371 -2.0779 -2.0779 -0.2962 -0.2962 -0.2793 -0.2793 -0.2524 -0.2524 -0.1230 -0.1230 0.0436 0.0436 0.0607 0.0607 0.0753 0.0753 0.1161 0.1161 0.2054 0.2054 0.4136 0.4136 2.3081 2.3081 2.7190 2.7190 3.6808 3.6808 4.3158 4.3158 5.1235 5.1235 5.5878 5.5878 9.4421 9.4421 9.7061 9.7061 9.7756 9.7756 10.1663 10.1663 k = 0.2500 0.4330-0.0000 ( 4551 PWs) bands (ev): -34.2832 -34.2832 -15.5618 -15.5618 -15.1923 -15.1923 -15.1779 -15.1779 -2.4739 -2.4739 -2.0782 -2.0782 -0.2967 -0.2967 -0.2807 -0.2807 -0.2544 -0.2544 -0.1283 -0.1283 0.0436 0.0436 0.0587 0.0587 0.0740 0.0740 0.1144 0.1144 0.1976 0.1976 0.4115 0.4115 2.3374 2.3374 2.7644 2.7644 3.7315 3.7315 4.2909 4.2909 5.1643 5.1643 5.6554 5.6554 9.4021 9.4021 9.7693 9.7693 9.7857 9.7857 10.1301 10.1301 k = 0.2431 0.4210-0.0000 ( 4547 PWs) bands (ev): -34.2832 -34.2832 -15.5615 -15.5615 -15.1924 -15.1924 -15.1773 -15.1773 -2.5121 -2.5121 -2.0800 -2.0800 -0.2972 -0.2972 -0.2821 -0.2821 -0.2566 -0.2566 -0.1339 -0.1339 0.0428 0.0428 0.0574 0.0574 0.0726 0.0726 0.1126 0.1126 0.1911 0.1911 0.4080 0.4080 2.3732 2.3732 2.8101 2.8101 3.7745 3.7745 4.2810 4.2810 5.2082 5.2082 5.7242 5.7242 9.3586 9.3586 9.7830 9.7830 9.8500 9.8500 10.0928 10.0928 k = 0.2361 0.4090-0.0000 ( 4551 PWs) bands (ev): -34.2833 -34.2833 -15.5613 -15.5613 -15.1923 -15.1923 -15.1767 -15.1767 -2.5518 -2.5518 -2.0832 -2.0832 -0.2979 -0.2979 -0.2835 -0.2835 -0.2592 -0.2592 -0.1396 -0.1396 0.0411 0.0411 0.0568 0.0568 0.0711 0.0711 0.1108 0.1108 0.1858 0.1858 0.4033 0.4033 2.4156 2.4156 2.8543 2.8543 3.8077 3.8077 4.2898 4.2898 5.2549 5.2549 5.7941 5.7941 9.3137 9.3137 9.7865 9.7865 9.9247 9.9247 10.0562 10.0563 k = 0.2292 0.3969-0.0000 ( 4547 PWs) bands (ev): -34.2833 -34.2833 -15.5610 -15.5610 -15.1923 -15.1923 -15.1761 -15.1761 -2.5926 -2.5926 -2.0879 -2.0879 -0.2988 -0.2988 -0.2849 -0.2849 -0.2620 -0.2620 -0.1453 -0.1453 0.0387 0.0387 0.0565 0.0565 0.0698 0.0698 0.1092 0.1092 0.1817 0.1817 0.3973 0.3973 2.4645 2.4645 2.8949 2.8949 3.8318 3.8318 4.3183 4.3183 5.3045 5.3045 5.8650 5.8650 9.2684 9.2684 9.7874 9.7874 9.9849 9.9849 10.0341 10.0341 k = 0.2222 0.3849-0.0000 ( 4545 PWs) bands (ev): -34.2834 -34.2834 -15.5607 -15.5607 -15.1922 -15.1922 -15.1754 -15.1754 -2.6345 -2.6345 -2.0939 -2.0939 -0.2998 -0.2998 -0.2863 -0.2863 -0.2650 -0.2650 -0.1510 -0.1510 0.0358 0.0358 0.0561 0.0561 0.0688 0.0688 0.1079 0.1079 0.1784 0.1784 0.3902 0.3902 2.5196 2.5196 2.9298 2.9298 3.8514 3.8514 4.3643 4.3643 5.3567 5.3567 5.9368 5.9368 9.2234 9.2234 9.7842 9.7842 9.9705 9.9705 10.0630 10.0630 k = 0.2153 0.3729-0.0000 ( 4535 PWs) bands (ev): -34.2834 -34.2834 -15.5604 -15.5604 -15.1921 -15.1921 -15.1747 -15.1747 -2.6771 -2.6771 -2.1012 -2.1012 -0.3011 -0.3011 -0.2876 -0.2876 -0.2680 -0.2680 -0.1565 -0.1565 0.0327 0.0327 0.0550 0.0550 0.0686 0.0686 0.1071 0.1071 0.1759 0.1759 0.3822 0.3822 2.5806 2.5806 2.9567 2.9567 3.8727 3.8727 4.4237 4.4237 5.4115 5.4115 6.0092 6.0092 9.1793 9.1793 9.7747 9.7747 9.9399 9.9399 10.0484 10.0484 k = 0.2083 0.3608-0.0000 ( 4543 PWs) bands (ev): -34.2835 -34.2835 -15.5601 -15.5601 -15.1920 -15.1920 -15.1741 -15.1741 -2.7203 -2.7203 -2.1097 -2.1097 -0.3026 -0.3026 -0.2890 -0.2890 -0.2711 -0.2711 -0.1619 -0.1619 0.0295 0.0295 0.0532 0.0532 0.0690 0.0690 0.1067 0.1067 0.1739 0.1739 0.3734 0.3734 2.6468 2.6468 2.9739 2.9739 3.9014 3.9014 4.4925 4.4925 5.4688 5.4688 6.0821 6.0821 9.1366 9.1366 9.7562 9.7562 9.9137 9.9137 10.0218 10.0218 k = 0.2014 0.3488-0.0000 ( 4533 PWs) bands (ev): -34.2835 -34.2835 -15.5597 -15.5597 -15.1919 -15.1919 -15.1734 -15.1734 -2.7639 -2.7639 -2.1194 -2.1194 -0.3042 -0.3042 -0.2905 -0.2905 -0.2741 -0.2741 -0.1671 -0.1671 0.0264 0.0264 0.0508 0.0508 0.0700 0.0700 0.1069 0.1069 0.1724 0.1724 0.3640 0.3640 2.7169 2.7169 2.9815 2.9815 3.9414 3.9414 4.5679 4.5679 5.5284 5.5284 6.1553 6.1553 9.0955 9.0955 9.7270 9.7270 9.8944 9.8944 9.9926 9.9926 k = 0.1944 0.3368-0.0000 ( 4529 PWs) bands (ev): -34.2836 -34.2836 -15.5593 -15.5593 -15.1917 -15.1917 -15.1727 -15.1727 -2.8077 -2.8077 -2.1301 -2.1301 -0.3062 -0.3062 -0.2921 -0.2921 -0.2768 -0.2768 -0.1719 -0.1719 0.0233 0.0233 0.0480 0.0480 0.0713 0.0713 0.1074 0.1074 0.1711 0.1711 0.3542 0.3542 2.7874 2.7874 2.9831 2.9831 3.9944 3.9944 4.6475 4.6475 5.5903 5.5903 6.2288 6.2288 9.0565 9.0565 9.6884 9.6884 9.8810 9.8810 9.9622 9.9622 k = 0.1875 0.3248-0.0000 ( 4529 PWs) bands (ev): -34.2837 -34.2837 -15.5590 -15.5590 -15.1915 -15.1915 -15.1719 -15.1719 -2.8516 -2.8516 -2.1418 -2.1418 -0.3083 -0.3083 -0.2940 -0.2940 -0.2792 -0.2792 -0.1765 -0.1765 0.0204 0.0204 0.0452 0.0452 0.0726 0.0726 0.1084 0.1084 0.1700 0.1700 0.3442 0.3442 2.8465 2.8465 2.9914 2.9914 4.0602 4.0602 4.7301 4.7301 5.6543 5.6543 6.3024 6.3024 9.0197 9.0197 9.6426 9.6426 9.8709 9.8709 9.9308 9.9308 k = 0.1806 0.3127-0.0000 ( 4535 PWs) bands (ev): -34.2837 -34.2837 -15.5586 -15.5586 -15.1913 -15.1913 -15.1712 -15.1712 -2.8953 -2.8953 -2.1544 -2.1544 -0.3106 -0.3106 -0.2962 -0.2962 -0.2811 -0.2811 -0.1809 -0.1809 0.0176 0.0176 0.0422 0.0422 0.0739 0.0739 0.1098 0.1098 0.1691 0.1691 0.3340 0.3340 2.8677 2.8677 3.0345 3.0345 4.1379 4.1379 4.8143 4.8143 5.7204 5.7204 6.3758 6.3758 8.9855 8.9855 9.5913 9.5913 9.8621 9.8621 9.8990 9.8990 k = 0.1736 0.3007-0.0000 ( 4535 PWs) bands (ev): -34.2838 -34.2838 -15.5582 -15.5582 -15.1911 -15.1911 -15.1705 -15.1705 -2.9386 -2.9386 -2.1676 -2.1676 -0.3130 -0.3130 -0.2987 -0.2987 -0.2825 -0.2825 -0.1849 -0.1849 0.0151 0.0151 0.0393 0.0393 0.0752 0.0752 0.1115 0.1115 0.1682 0.1682 0.3239 0.3239 2.8527 2.8527 3.1123 3.1123 4.2258 4.2258 4.8996 4.8996 5.7883 5.7883 6.4490 6.4490 8.9541 8.9541 9.5358 9.5358 9.8521 9.8521 9.8683 9.8683 k = 0.1667 0.2887-0.0000 ( 4529 PWs) bands (ev): -34.2839 -34.2839 -15.5578 -15.5578 -15.1909 -15.1909 -15.1697 -15.1697 -2.9814 -2.9814 -2.1815 -2.1815 -0.3155 -0.3155 -0.3013 -0.3013 -0.2835 -0.2835 -0.1887 -0.1887 0.0128 0.0128 0.0364 0.0364 0.0762 0.0762 0.1136 0.1136 0.1675 0.1675 0.3139 0.3139 2.8221 2.8221 3.2059 3.2059 4.3227 4.3227 4.9851 4.9851 5.8581 5.8581 6.5216 6.5216 8.9256 8.9256 9.4764 9.4764 9.8296 9.8296 9.8499 9.8499 k = 0.1597 0.2766-0.0000 ( 4531 PWs) bands (ev): -34.2839 -34.2839 -15.5574 -15.5574 -15.1907 -15.1907 -15.1689 -15.1689 -3.0235 -3.0235 -2.1960 -2.1960 -0.3182 -0.3182 -0.3041 -0.3041 -0.2841 -0.2841 -0.1923 -0.1923 0.0107 0.0107 0.0337 0.0337 0.0771 0.0771 0.1159 0.1159 0.1667 0.1667 0.3042 0.3042 2.7846 2.7846 3.3078 3.3078 4.4271 4.4271 5.0704 5.0704 5.9295 5.9295 6.5936 6.5936 8.9002 8.9002 9.4134 9.4134 9.7978 9.7978 9.8406 9.8406 k = 0.1528 0.2646-0.0000 ( 4535 PWs) bands (ev): -34.2840 -34.2840 -15.5570 -15.5570 -15.1905 -15.1905 -15.1682 -15.1682 -3.0648 -3.0648 -2.2107 -2.2107 -0.3208 -0.3208 -0.3070 -0.3070 -0.2843 -0.2843 -0.1956 -0.1956 0.0088 0.0088 0.0310 0.0310 0.0778 0.0778 0.1184 0.1184 0.1659 0.1659 0.2949 0.2949 2.7435 2.7435 3.4154 3.4154 4.5380 4.5380 5.1549 5.1549 6.0024 6.0024 6.6648 6.6648 8.8780 8.8780 9.3467 9.3467 9.7651 9.7651 9.8324 9.8324 k = 0.1458 0.2526-0.0000 ( 4529 PWs) bands (ev): -34.2841 -34.2841 -15.5566 -15.5566 -15.1903 -15.1903 -15.1674 -15.1674 -3.1051 -3.1051 -2.2258 -2.2258 -0.3234 -0.3234 -0.3098 -0.3098 -0.2844 -0.2844 -0.1987 -0.1987 0.0072 0.0072 0.0285 0.0285 0.0783 0.0783 0.1212 0.1212 0.1652 0.1652 0.2860 0.2860 2.7005 2.7005 3.5279 3.5279 4.6545 4.6545 5.2382 5.2382 6.0768 6.0768 6.7349 6.7349 8.8589 8.8589 9.2763 9.2763 9.7325 9.7325 9.8248 9.8248 k = 0.1389 0.2406-0.0000 ( 4525 PWs) bands (ev): -34.2842 -34.2842 -15.5562 -15.5562 -15.1901 -15.1901 -15.1666 -15.1666 -3.1443 -3.1443 -2.2410 -2.2410 -0.3260 -0.3260 -0.3125 -0.3125 -0.2843 -0.2843 -0.2016 -0.2016 0.0057 0.0057 0.0261 0.0261 0.0785 0.0785 0.1240 0.1240 0.1644 0.1644 0.2775 0.2775 2.6568 2.6568 3.6447 3.6447 4.7757 4.7757 5.3200 5.3200 6.1524 6.1524 6.8038 6.8038 8.8430 8.8430 9.2022 9.2022 9.7003 9.7003 9.8181 9.8181 k = 0.1319 0.2285-0.0000 ( 4525 PWs) bands (ev): -34.2842 -34.2842 -15.5558 -15.5558 -15.1899 -15.1899 -15.1658 -15.1658 -3.1823 -3.1823 -2.2563 -2.2563 -0.3285 -0.3285 -0.3152 -0.3152 -0.2840 -0.2840 -0.2044 -0.2044 0.0044 0.0044 0.0238 0.0238 0.0786 0.0786 0.1269 0.1269 0.1637 0.1637 0.2697 0.2697 2.6130 2.6130 3.7653 3.7653 4.9009 4.9009 5.4001 5.4001 6.2292 6.2292 6.8712 6.8712 8.8299 8.8299 9.1242 9.1242 9.6687 9.6687 9.8127 9.8127 k = 0.1250 0.2165-0.0000 ( 4523 PWs) bands (ev): -34.2843 -34.2843 -15.5554 -15.5554 -15.1897 -15.1897 -15.1650 -15.1650 -3.2190 -3.2190 -2.2715 -2.2715 -0.3310 -0.3310 -0.3177 -0.3177 -0.2835 -0.2835 -0.2070 -0.2070 0.0033 0.0033 0.0217 0.0217 0.0784 0.0784 0.1297 0.1297 0.1630 0.1630 0.2624 0.2624 2.5697 2.5697 3.8894 3.8894 5.0292 5.0292 5.4783 5.4783 6.3069 6.3069 6.9371 6.9371 8.8193 8.8193 9.0426 9.0426 9.6378 9.6378 9.8089 9.8089 k = 0.1181 0.2045-0.0000 ( 4531 PWs) bands (ev): -34.2844 -34.2844 -15.5551 -15.5551 -15.1895 -15.1895 -15.1642 -15.1642 -3.2542 -3.2542 -2.2864 -2.2864 -0.3333 -0.3333 -0.3202 -0.3202 -0.2829 -0.2829 -0.2095 -0.2095 0.0024 0.0024 0.0196 0.0196 0.0780 0.0780 0.1324 0.1324 0.1625 0.1625 0.2557 0.2557 2.5274 2.5274 4.0166 4.0166 5.1595 5.1595 5.5547 5.5547 6.3855 6.3855 7.0011 7.0011 8.8100 8.8100 8.9580 8.9580 9.6078 9.6078 9.8070 9.8070 k = 0.1111 0.1925-0.0000 ( 4527 PWs) bands (ev): -34.2844 -34.2844 -15.5547 -15.5547 -15.1894 -15.1894 -15.1634 -15.1634 -3.2879 -3.2879 -2.3011 -2.3011 -0.3355 -0.3355 -0.3225 -0.3225 -0.2822 -0.2822 -0.2119 -0.2119 0.0016 0.0016 0.0178 0.0178 0.0774 0.0774 0.1349 0.1349 0.1621 0.1621 0.2496 0.2496 2.4863 2.4863 4.1468 4.1468 5.2906 5.2906 5.6302 5.6302 6.4646 6.4646 7.0633 7.0633 8.7973 8.7973 8.8749 8.8749 9.5788 9.5788 9.8073 9.8073 k = 0.1042 0.1804-0.0000 ( 4523 PWs) bands (ev): -34.2845 -34.2845 -15.5544 -15.5544 -15.1892 -15.1892 -15.1627 -15.1627 -3.3199 -3.3199 -2.3155 -2.3155 -0.3376 -0.3376 -0.3247 -0.3247 -0.2814 -0.2814 -0.2142 -0.2142 0.0009 0.0009 0.0162 0.0162 0.0766 0.0766 0.1371 0.1371 0.1621 0.1621 0.2442 0.2442 2.4467 2.4467 4.2795 4.2795 5.4198 5.4198 5.7062 5.7062 6.5443 6.5443 7.1234 7.1234 8.7494 8.7494 8.8245 8.8245 9.5509 9.5509 9.8101 9.8101 k = 0.0972 0.1684-0.0000 ( 4521 PWs) bands (ev): -34.2846 -34.2846 -15.5540 -15.5540 -15.1890 -15.1890 -15.1619 -15.1619 -3.3502 -3.3502 -2.3293 -2.3293 -0.3396 -0.3396 -0.3267 -0.3267 -0.2805 -0.2805 -0.2163 -0.2163 0.0002 0.0002 0.0147 0.0147 0.0756 0.0756 0.1387 0.1387 0.1624 0.1624 0.2393 0.2393 2.4090 2.4090 4.4144 4.4144 5.5431 5.5431 5.7862 5.7862 6.6242 6.6242 7.1815 7.1815 8.6589 8.6589 8.8136 8.8136 9.5242 9.5242 9.8152 9.8152 k = 0.0903 0.1564-0.0000 ( 4513 PWs) bands (ev): -34.2846 -34.2846 -15.5537 -15.5537 -15.1889 -15.1889 -15.1612 -15.1612 -3.3787 -3.3787 -2.3425 -2.3425 -0.3414 -0.3414 -0.3287 -0.3287 -0.2796 -0.2796 -0.2184 -0.2184 -0.0003 -0.0003 0.0135 0.0135 0.0745 0.0745 0.1399 0.1399 0.1633 0.1633 0.2351 0.2351 2.3732 2.3732 4.5512 4.5512 5.6534 5.6534 5.8765 5.8765 6.7042 6.7042 7.2374 7.2374 8.5576 8.5576 8.8102 8.8102 9.4986 9.4986 9.8225 9.8225 k = 0.0833 0.1443-0.0000 ( 4513 PWs) bands (ev): -34.2847 -34.2847 -15.5534 -15.5534 -15.1887 -15.1887 -15.1606 -15.1606 -3.4054 -3.4054 -2.3552 -2.3552 -0.3430 -0.3430 -0.3305 -0.3305 -0.2785 -0.2785 -0.2204 -0.2204 -0.0009 -0.0009 0.0126 0.0126 0.0731 0.0731 0.1404 0.1404 0.1645 0.1645 0.2314 0.2314 2.3395 2.3395 4.6894 4.6894 5.7444 5.7444 5.9825 5.9825 6.7843 6.7843 7.2911 7.2911 8.4509 8.4509 8.8083 8.8083 9.4743 9.4743 9.8313 9.8313 k = 0.0764 0.1323-0.0000 ( 4515 PWs) bands (ev): -34.2847 -34.2847 -15.5531 -15.5531 -15.1886 -15.1886 -15.1599 -15.1599 -3.4301 -3.4301 -2.3670 -2.3670 -0.3446 -0.3446 -0.3321 -0.3321 -0.2774 -0.2774 -0.2223 -0.2223 -0.0015 -0.0015 0.0119 0.0119 0.0717 0.0717 0.1405 0.1405 0.1661 0.1661 0.2282 0.2282 2.3080 2.3080 4.8284 4.8284 5.8164 5.8164 6.1029 6.1029 6.8644 6.8644 7.3427 7.3427 8.3401 8.3401 8.8064 8.8064 9.4510 9.4510 9.8401 9.8401 k = 0.0694 0.1203-0.0000 ( 4519 PWs) bands (ev): -34.2848 -34.2848 -15.5529 -15.5529 -15.1885 -15.1885 -15.1593 -15.1593 -3.4529 -3.4529 -2.3781 -2.3781 -0.3460 -0.3460 -0.3337 -0.3337 -0.2763 -0.2763 -0.2242 -0.2242 -0.0021 -0.0021 0.0115 0.0115 0.0701 0.0701 0.1403 0.1403 0.1679 0.1679 0.2255 0.2255 2.2790 2.2790 4.9677 4.9677 5.8746 5.8746 6.2312 6.2312 6.9447 6.9447 7.3923 7.3923 8.2259 8.2259 8.8038 8.8038 9.4287 9.4287 9.8454 9.8454 k = 0.0625 0.1083-0.0000 ( 4515 PWs) bands (ev): -34.2848 -34.2848 -15.5526 -15.5526 -15.1884 -15.1884 -15.1587 -15.1587 -3.4737 -3.4737 -2.3883 -2.3883 -0.3473 -0.3473 -0.3350 -0.3350 -0.2752 -0.2752 -0.2259 -0.2259 -0.0027 -0.0027 0.0113 0.0113 0.0684 0.0684 0.1399 0.1399 0.1698 0.1698 0.2232 0.2232 2.2524 2.2524 5.1063 5.1063 5.9237 5.9237 6.3613 6.3613 7.0257 7.0257 7.4399 7.4399 8.1090 8.1090 8.8000 8.8000 9.4070 9.4070 9.8390 9.8390 k = 0.0556 0.0962-0.0000 ( 4515 PWs) bands (ev): -34.2849 -34.2849 -15.5524 -15.5524 -15.1883 -15.1883 -15.1582 -15.1582 -3.4923 -3.4923 -2.3976 -2.3976 -0.3484 -0.3484 -0.3363 -0.3363 -0.2740 -0.2740 -0.2275 -0.2275 -0.0033 -0.0033 0.0113 0.0113 0.0667 0.0667 0.1394 0.1394 0.1716 0.1716 0.2213 0.2213 2.2284 2.2284 5.2431 5.2431 5.9664 5.9664 6.4882 6.4882 7.1081 7.1081 7.4853 7.4853 7.9902 7.9902 8.7944 8.7944 9.3855 9.3855 9.8087 9.8087 k = 0.0486 0.0842-0.0000 ( 4517 PWs) bands (ev): -34.2849 -34.2849 -15.5522 -15.5522 -15.1883 -15.1883 -15.1577 -15.1577 -3.5089 -3.5089 -2.4060 -2.4060 -0.3494 -0.3494 -0.3374 -0.3374 -0.2729 -0.2729 -0.2290 -0.2290 -0.0039 -0.0039 0.0115 0.0115 0.0650 0.0650 0.1388 0.1388 0.1734 0.1734 0.2198 0.2198 2.2071 2.2071 5.3765 5.3765 6.0048 6.0048 6.6073 6.6073 7.1933 7.1933 7.5283 7.5283 7.8711 7.8711 8.7867 8.7867 9.3630 9.3630 9.7543 9.7543 k = 0.0417 0.0722-0.0000 ( 4519 PWs) bands (ev): -34.2849 -34.2849 -15.5520 -15.5520 -15.1882 -15.1882 -15.1573 -15.1573 -3.5233 -3.5233 -2.4133 -2.4133 -0.3503 -0.3503 -0.3383 -0.3383 -0.2719 -0.2719 -0.2304 -0.2304 -0.0044 -0.0044 0.0118 0.0118 0.0634 0.0634 0.1383 0.1383 0.1750 0.1750 0.2186 0.2186 2.1884 2.1884 5.5039 5.5039 6.0407 6.0407 6.7143 6.7143 7.2826 7.2826 7.5673 7.5673 7.7543 7.7543 8.7761 8.7761 9.3379 9.3379 9.6898 9.6898 k = 0.0347 0.0601-0.0000 ( 4521 PWs) bands (ev): -34.2850 -34.2850 -15.5519 -15.5519 -15.1882 -15.1882 -15.1570 -15.1570 -3.5356 -3.5356 -2.4195 -2.4195 -0.3510 -0.3510 -0.3391 -0.3391 -0.2709 -0.2709 -0.2317 -0.2317 -0.0050 -0.0050 0.0121 0.0121 0.0619 0.0619 0.1378 0.1378 0.1764 0.1764 0.2176 0.2176 2.1725 2.1725 5.6217 5.6217 6.0763 6.0763 6.8052 6.8052 7.3758 7.3758 7.5899 7.5899 7.6546 7.6546 8.7616 8.7616 9.3072 9.3072 9.6259 9.6259 k = 0.0278 0.0481-0.0000 ( 4513 PWs) bands (ev): -34.2850 -34.2850 -15.5517 -15.5517 -15.1881 -15.1881 -15.1567 -15.1567 -3.5456 -3.5456 -2.4247 -2.4247 -0.3516 -0.3516 -0.3398 -0.3398 -0.2700 -0.2700 -0.2327 -0.2327 -0.0054 -0.0054 0.0126 0.0126 0.0606 0.0606 0.1373 0.1373 0.1775 0.1775 0.2169 0.2169 2.1595 2.1595 5.7248 5.7248 6.1139 6.1139 6.8777 6.8777 7.4647 7.4647 7.5241 7.5241 7.6526 7.6526 8.7423 8.7423 9.2673 9.2673 9.5685 9.5685 k = 0.0208 0.0361-0.0000 ( 4515 PWs) bands (ev): -34.2850 -34.2850 -15.5517 -15.5517 -15.1881 -15.1881 -15.1565 -15.1565 -3.5535 -3.5535 -2.4287 -2.4287 -0.3520 -0.3520 -0.3403 -0.3403 -0.2693 -0.2693 -0.2336 -0.2336 -0.0058 -0.0058 0.0129 0.0129 0.0595 0.0595 0.1370 0.1370 0.1784 0.1784 0.2164 0.2164 2.1493 2.1493 5.8070 5.8070 6.1552 6.1552 6.9308 6.9308 7.4157 7.4157 7.5715 7.5715 7.6789 7.6789 8.7173 8.7173 9.2190 9.2190 9.5158 9.5161 k = 0.0139 0.0241-0.0000 ( 4517 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1880 -15.1880 -15.1563 -15.1563 -3.5591 -3.5591 -2.4316 -2.4316 -0.3524 -0.3524 -0.3407 -0.3407 -0.2687 -0.2687 -0.2343 -0.2343 -0.0061 -0.0061 0.0132 0.0132 0.0587 0.0587 0.1367 0.1367 0.1791 0.1791 0.2161 0.2161 2.1420 2.1420 5.8642 5.8642 6.1977 6.1977 6.9653 6.9653 7.3384 7.3384 7.6495 7.6495 7.7032 7.7032 8.6888 8.6888 9.1718 9.1718 9.4724 9.4724 k = 0.0069 0.0120-0.0000 ( 4525 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1880 -15.1880 -15.1562 -15.1562 -3.5624 -3.5624 -2.4334 -2.4334 -0.3526 -0.3526 -0.3410 -0.3410 -0.2684 -0.2684 -0.2347 -0.2347 -0.0063 -0.0063 0.0134 0.0134 0.0582 0.0582 0.1366 0.1366 0.1795 0.1795 0.2159 0.2159 2.1376 2.1376 5.8964 5.8964 6.2319 6.2319 6.9832 6.9832 7.2866 7.2866 7.6947 7.6947 7.7297 7.7297 8.6641 8.6641 9.1386 9.1386 9.4488 9.4488 k = 0.0000 0.0000 0.0000 ( 4513 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.5636 -3.5636 -2.4339 -2.4339 -0.3526 -0.3526 -0.3410 -0.3410 -0.2683 -0.2683 -0.2348 -0.2348 -0.0063 -0.0063 0.0135 0.0135 0.0580 0.0580 0.1365 0.1365 0.1796 0.1796 0.2158 0.2158 2.1362 2.1362 5.9067 5.9067 6.2452 6.2452 6.9884 6.9884 7.2686 7.2686 7.7049 7.7049 7.7456 7.7456 8.6540 8.6540 9.1269 9.1269 9.4412 9.4412 k = 0.0000 0.0000 0.0000 ( 4513 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.5636 -3.5636 -2.4339 -2.4339 -0.3526 -0.3526 -0.3410 -0.3410 -0.2683 -0.2683 -0.2348 -0.2348 -0.0063 -0.0063 0.0135 0.0135 0.0580 0.0580 0.1365 0.1365 0.1796 0.1796 0.2158 0.2158 2.1362 2.1362 5.9067 5.9067 6.2452 6.2452 6.9884 6.9884 7.2686 7.2686 7.7049 7.7049 7.7456 7.7456 8.6540 8.6540 9.1269 9.1269 9.4412 9.4412 k = 0.0000 0.0000 0.0135 ( 4525 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1880 -15.1880 -15.1562 -15.1562 -3.5627 -3.5627 -2.4355 -2.4355 -0.3527 -0.3527 -0.3410 -0.3410 -0.2683 -0.2683 -0.2350 -0.2350 -0.0063 -0.0063 0.0129 0.0129 0.0580 0.0580 0.1366 0.1366 0.1796 0.1796 0.2154 0.2154 2.1411 2.1411 5.9079 5.9079 6.2464 6.2464 6.9802 6.9802 7.2685 7.2685 7.6863 7.6863 7.7417 7.7417 8.6773 8.6773 9.1268 9.1268 9.4431 9.4431 k = 0.0000 0.0000 0.0270 ( 4525 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1880 -15.1880 -15.1562 -15.1562 -3.5600 -3.5600 -2.4400 -2.4400 -0.3527 -0.3527 -0.3410 -0.3410 -0.2683 -0.2683 -0.2356 -0.2356 -0.0063 -0.0063 0.0112 0.0112 0.0580 0.0580 0.1367 0.1367 0.1796 0.1796 0.2141 0.2141 2.1559 2.1559 5.9113 5.9113 6.2501 6.2501 6.9551 6.9551 7.2681 7.2681 7.6369 7.6369 7.7303 7.7303 8.7415 8.7415 9.1267 9.1267 9.4486 9.4486 k = 0.0000 0.0000 0.0406 ( 4525 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1880 -15.1880 -15.1562 -15.1562 -3.5556 -3.5556 -2.4476 -2.4476 -0.3528 -0.3528 -0.3409 -0.3409 -0.2683 -0.2683 -0.2366 -0.2366 -0.0062 -0.0062 0.0083 0.0083 0.0581 0.0581 0.1369 0.1369 0.1795 0.1795 0.2122 0.2122 2.1803 2.1803 5.9171 5.9171 6.2563 6.2563 6.9125 6.9125 7.2669 7.2669 7.5700 7.5700 7.7116 7.7116 8.8331 8.8331 9.1280 9.1280 9.4572 9.4572 k = 0.0000 0.0000 0.0541 ( 4519 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.5495 -3.5495 -2.4580 -2.4580 -0.3529 -0.3529 -0.3409 -0.3409 -0.2684 -0.2684 -0.2380 -0.2380 -0.0062 -0.0062 0.0046 0.0046 0.0582 0.0582 0.1373 0.1373 0.1795 0.1795 0.2096 0.2096 2.2140 2.2140 5.9252 5.9252 6.2649 6.2649 6.8515 6.8515 7.2635 7.2635 7.4989 7.4989 7.6863 7.6863 8.9367 8.9367 9.1349 9.1349 9.4681 9.4681 k = 0.0000 0.0000 0.0676 ( 4507 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.5416 -3.5416 -2.4711 -2.4711 -0.3530 -0.3530 -0.3408 -0.3408 -0.2684 -0.2684 -0.2397 -0.2397 -0.0061 -0.0061 0.0000 0.0000 0.0583 0.0583 0.1377 0.1377 0.1794 0.1794 0.2067 0.2067 2.2565 2.2565 5.9355 5.9355 6.2759 6.2759 6.7722 6.7722 7.2550 7.2550 7.4345 7.4345 7.6551 7.6551 9.0254 9.0254 9.1666 9.1666 9.4802 9.4803 k = 0.0000 0.0000 0.0811 ( 4525 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1880 -15.1880 -15.1562 -15.1562 -3.5322 -3.5322 -2.4869 -2.4869 -0.3532 -0.3532 -0.3407 -0.3407 -0.2685 -0.2685 -0.2418 -0.2418 -0.0070 -0.0070 -0.0044 -0.0044 0.0584 0.0584 0.1381 0.1381 0.1792 0.1792 0.2033 0.2033 2.3072 2.3072 5.9480 5.9480 6.2893 6.2893 6.6762 6.6762 7.2359 7.2359 7.3858 7.3858 7.6186 7.6186 9.0620 9.0620 9.2548 9.2548 9.4924 9.4925 k = 0.0000 0.0000 0.0947 ( 4513 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.5211 -3.5211 -2.5050 -2.5050 -0.3534 -0.3534 -0.3405 -0.3405 -0.2685 -0.2685 -0.2442 -0.2442 -0.0119 -0.0119 -0.0052 -0.0052 0.0586 0.0586 0.1386 0.1386 0.1791 0.1791 0.1999 0.1999 2.3655 2.3655 5.9626 5.9626 6.3051 6.3051 6.5663 6.5663 7.2016 7.2016 7.3583 7.3583 7.5777 7.5777 9.0674 9.0674 9.3743 9.3743 9.5041 9.5041 k = 0.0000 0.0000 0.1082 ( 4513 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.5086 -3.5086 -2.5253 -2.5253 -0.3536 -0.3536 -0.3404 -0.3404 -0.2687 -0.2687 -0.2468 -0.2468 -0.0180 -0.0180 -0.0052 -0.0052 0.0587 0.0587 0.1391 0.1391 0.1789 0.1789 0.1966 0.1966 2.4308 2.4308 5.9792 5.9792 6.3234 6.3234 6.4463 6.4463 7.1561 7.1561 7.3471 7.3471 7.5331 7.5331 9.0636 9.0636 9.4904 9.4904 9.5242 9.5242 k = 0.0000 0.0000 0.1217 ( 4519 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.4947 -3.4947 -2.5475 -2.5475 -0.3538 -0.3538 -0.3402 -0.3402 -0.2689 -0.2689 -0.2497 -0.2497 -0.0244 -0.0244 -0.0051 -0.0051 0.0589 0.0589 0.1396 0.1396 0.1787 0.1787 0.1932 0.1932 2.5022 2.5022 5.9972 5.9972 6.3196 6.3196 6.3439 6.3439 7.1055 7.1055 7.3446 7.3446 7.4856 7.4856 9.0563 9.0563 9.5139 9.5139 9.5339 9.5339 k = 0.0000 0.0000 0.1352 ( 4506 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.4795 -3.4795 -2.5712 -2.5712 -0.3539 -0.3539 -0.3401 -0.3401 -0.2691 -0.2691 -0.2526 -0.2526 -0.0307 -0.0307 -0.0049 -0.0049 0.0591 0.0591 0.1402 0.1402 0.1786 0.1786 0.1902 0.1902 2.5791 2.5791 6.0147 6.0147 6.1912 6.1912 6.3668 6.3668 7.0533 7.0533 7.3464 7.3464 7.4357 7.4357 9.0470 9.0470 9.5180 9.5180 9.5346 9.5346 k = 0.0000 0.0000 0.1487 ( 4494 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1561 -15.1561 -3.4633 -3.4633 -2.5962 -2.5962 -0.3541 -0.3541 -0.3400 -0.3400 -0.2695 -0.2695 -0.2554 -0.2554 -0.0369 -0.0369 -0.0047 -0.0047 0.0592 0.0592 0.1407 0.1407 0.1785 0.1785 0.1873 0.1873 2.6606 2.6606 6.0083 6.0083 6.0865 6.0865 6.3920 6.3920 7.0006 7.0006 7.3504 7.3504 7.3840 7.3840 9.0366 9.0366 9.5186 9.5186 9.5325 9.5325 k = 0.0000 0.0000 0.1623 ( 4500 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1561 -15.1561 -3.4461 -3.4461 -2.6220 -2.6220 -0.3543 -0.3543 -0.3398 -0.3398 -0.2702 -0.2702 -0.2582 -0.2582 -0.0427 -0.0427 -0.0045 -0.0045 0.0594 0.0594 0.1412 0.1412 0.1783 0.1783 0.1847 0.1847 2.7458 2.7458 5.9027 5.9027 6.0827 6.0827 6.4195 6.4195 6.9479 6.9479 7.3311 7.3311 7.3556 7.3556 9.0254 9.0254 9.5167 9.5167 9.5284 9.5284 k = 0.0000 0.0000 0.1758 ( 4518 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1880 -15.1880 -15.1562 -15.1562 -3.4282 -3.4282 -2.6483 -2.6483 -0.3545 -0.3545 -0.3397 -0.3397 -0.2713 -0.2713 -0.2606 -0.2606 -0.0482 -0.0482 -0.0043 -0.0043 0.0595 0.0595 0.1417 0.1417 0.1781 0.1781 0.1822 0.1822 2.8337 2.8337 5.7727 5.7727 6.1066 6.1066 6.4491 6.4491 6.8952 6.8952 7.2774 7.2774 7.3614 7.3614 9.0138 9.0138 9.5129 9.5129 9.5227 9.5227 k = 0.0000 0.0000 0.1893 ( 4518 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1880 -15.1880 -15.1562 -15.1562 -3.4099 -3.4099 -2.6747 -2.6747 -0.3546 -0.3546 -0.3396 -0.3396 -0.2728 -0.2728 -0.2624 -0.2624 -0.0531 -0.0531 -0.0041 -0.0041 0.0597 0.0597 0.1422 0.1422 0.1779 0.1779 0.1801 0.1801 2.9231 2.9231 5.6428 5.6428 6.1352 6.1352 6.4810 6.4810 6.8429 6.8429 7.2232 7.2232 7.3675 7.3675 9.0022 9.0022 9.5081 9.5081 9.5162 9.5162 k = 0.0000 0.0000 0.2028 ( 4524 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1881 -15.1881 -15.1562 -15.1562 -3.3916 -3.3916 -2.7005 -2.7005 -0.3548 -0.3548 -0.3395 -0.3395 -0.2747 -0.2747 -0.2636 -0.2636 -0.0576 -0.0576 -0.0040 -0.0040 0.0598 0.0598 0.1427 0.1427 0.1777 0.1777 0.1782 0.1782 3.0126 3.0126 5.5167 5.5167 6.1665 6.1665 6.5149 6.5149 6.7909 6.7909 7.1689 7.1689 7.3735 7.3735 8.9910 8.9910 9.5026 9.5026 9.5094 9.5094 k = 0.0000 0.0000 0.2164 ( 4500 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1561 -15.1561 -3.3737 -3.3737 -2.7252 -2.7252 -0.3549 -0.3549 -0.3394 -0.3394 -0.2767 -0.2767 -0.2643 -0.2643 -0.0613 -0.0613 -0.0038 -0.0038 0.0600 0.0600 0.1432 0.1432 0.1766 0.1766 0.1777 0.1777 3.1005 3.1005 5.3967 5.3967 6.1999 6.1999 6.5509 6.5509 6.7396 6.7396 7.1149 7.1149 7.3792 7.3792 8.9804 8.9804 9.4970 9.4970 9.5028 9.5028 k = 0.0000 0.0000 0.2299 ( 4512 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.3567 -3.3567 -2.7482 -2.7482 -0.3551 -0.3551 -0.3394 -0.3394 -0.2788 -0.2788 -0.2648 -0.2648 -0.0646 -0.0646 -0.0037 -0.0037 0.0601 0.0601 0.1435 0.1435 0.1753 0.1753 0.1776 0.1776 3.1846 3.1846 5.2853 5.2853 6.2353 6.2353 6.5889 6.5889 6.6891 6.6891 7.0613 7.0613 7.3844 7.3844 8.9707 8.9707 9.4917 9.4917 9.4965 9.4965 k = 0.0000 0.0000 0.2434 ( 4506 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.3413 -3.3413 -2.7687 -2.7687 -0.3552 -0.3552 -0.3393 -0.3393 -0.2807 -0.2807 -0.2651 -0.2651 -0.0672 -0.0672 -0.0035 -0.0035 0.0602 0.0602 0.1439 0.1439 0.1741 0.1741 0.1775 0.1775 3.2619 3.2619 5.1856 5.1856 6.2723 6.2723 6.6289 6.6289 6.6395 6.6395 7.0085 7.0085 7.3889 7.3889 8.9624 8.9624 9.4870 9.4870 9.4911 9.4911 k = 0.0000 0.0000 0.2569 ( 4506 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1562 -15.1562 -3.3282 -3.3282 -2.7859 -2.7859 -0.3552 -0.3552 -0.3392 -0.3392 -0.2822 -0.2822 -0.2653 -0.2653 -0.0693 -0.0693 -0.0034 -0.0034 0.0603 0.0603 0.1441 0.1441 0.1733 0.1733 0.1774 0.1774 3.3289 3.3289 5.1010 5.1010 6.3106 6.3106 6.5915 6.5915 6.6706 6.6706 6.9565 6.9565 7.3926 7.3926 8.9556 8.9556 9.4830 9.4830 9.4867 9.4867 k = 0.0000 0.0000 0.2704 ( 4494 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1561 -15.1561 -3.3181 -3.3181 -2.7990 -2.7990 -0.3553 -0.3553 -0.3391 -0.3391 -0.2834 -0.2834 -0.2654 -0.2654 -0.0707 -0.0707 -0.0033 -0.0033 0.0604 0.0604 0.1444 0.1444 0.1727 0.1727 0.1773 0.1773 3.3814 3.3814 5.0359 5.0359 6.3494 6.3494 6.5457 6.5457 6.7140 6.7140 6.9058 6.9058 7.3953 7.3953 8.9506 8.9506 9.4801 9.4801 9.4834 9.4834 k = 0.0000 0.0000 0.2840 ( 4494 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1880 -15.1880 -15.1561 -15.1561 -3.3117 -3.3117 -2.8071 -2.8071 -0.3553 -0.3553 -0.3391 -0.3391 -0.2841 -0.2841 -0.2654 -0.2654 -0.0716 -0.0716 -0.0033 -0.0033 0.0604 0.0604 0.1445 0.1445 0.1723 0.1723 0.1773 0.1773 3.4152 3.4152 4.9946 4.9946 6.3860 6.3860 6.5049 6.5049 6.7587 6.7587 6.8566 6.8566 7.3970 7.3970 8.9475 8.9475 9.4783 9.4783 9.4814 9.4814 k = 0.0000 0.0000 0.2975 ( 4506 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1881 -15.1881 -15.1561 -15.1561 -3.3095 -3.3095 -2.8099 -2.8099 -0.3553 -0.3553 -0.3391 -0.3391 -0.2843 -0.2843 -0.2655 -0.2655 -0.0719 -0.0719 -0.0033 -0.0033 0.0604 0.0604 0.1444 0.1444 0.1722 0.1722 0.1773 0.1773 3.4269 3.4269 4.9804 4.9804 6.4060 6.4060 6.4834 6.4834 6.7958 6.7958 6.8181 6.8181 7.3975 7.3975 8.9465 8.9465 9.4777 9.4777 9.4807 9.4807 k = 0.0000 0.0000 0.2975 ( 4506 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1881 -15.1881 -15.1561 -15.1561 -3.3095 -3.3095 -2.8099 -2.8099 -0.3553 -0.3553 -0.3391 -0.3391 -0.2843 -0.2843 -0.2655 -0.2655 -0.0719 -0.0719 -0.0033 -0.0033 0.0604 0.0604 0.1444 0.1444 0.1722 0.1722 0.1773 0.1773 3.4269 3.4269 4.9804 4.9804 6.4060 6.4060 6.4834 6.4834 6.7958 6.7958 6.8181 6.8181 7.3975 7.3975 8.9465 8.9465 9.4777 9.4777 9.4807 9.4807 k = 0.0122 0.0070 0.2975 ( 4514 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1881 -15.1881 -15.1562 -15.1562 -3.3085 -3.3085 -2.8090 -2.8090 -0.3553 -0.3553 -0.3391 -0.3391 -0.2845 -0.2845 -0.2652 -0.2652 -0.0718 -0.0718 -0.0032 -0.0032 0.0604 0.0604 0.1444 0.1444 0.1722 0.1722 0.1772 0.1772 3.4270 3.4270 4.9810 4.9810 6.3886 6.3886 6.4772 6.4772 6.7732 6.7732 6.8138 6.8138 7.4325 7.4325 8.9513 8.9513 9.4830 9.4830 9.4862 9.4862 k = 0.0244 0.0141 0.2975 ( 4510 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1881 -15.1881 -15.1563 -15.1563 -3.3055 -3.3055 -2.8062 -2.8062 -0.3550 -0.3550 -0.3389 -0.3389 -0.2851 -0.2851 -0.2643 -0.2643 -0.0714 -0.0714 -0.0030 -0.0030 0.0606 0.0606 0.1445 0.1445 0.1722 0.1722 0.1768 0.1768 3.4273 3.4273 4.9830 4.9830 6.3354 6.3354 6.4580 6.4580 6.7226 6.7226 6.8018 6.8018 7.5207 7.5207 8.9656 8.9656 9.4967 9.4967 9.5045 9.5045 k = 0.0366 0.0211 0.2975 ( 4502 PWs) bands (ev): -34.2850 -34.2850 -15.5517 -15.5517 -15.1881 -15.1881 -15.1564 -15.1564 -3.3005 -3.3005 -2.8015 -2.8015 -0.3546 -0.3546 -0.3387 -0.3387 -0.2860 -0.2860 -0.2630 -0.2630 -0.0708 -0.0708 -0.0026 -0.0026 0.0608 0.0608 0.1446 0.1446 0.1721 0.1721 0.1764 0.1764 3.4277 3.4277 4.9861 4.9861 6.2469 6.2469 6.4266 6.4266 6.6674 6.6674 6.7855 6.7855 7.6354 7.6354 8.9888 8.9888 9.5181 9.5181 9.5360 9.5360 k = 0.0488 0.0282 0.2975 ( 4498 PWs) bands (ev): -34.2850 -34.2850 -15.5517 -15.5517 -15.1881 -15.1881 -15.1567 -15.1567 -3.2936 -3.2936 -2.7950 -2.7950 -0.3540 -0.3540 -0.3383 -0.3383 -0.2871 -0.2871 -0.2613 -0.2613 -0.0700 -0.0700 -0.0020 -0.0020 0.0611 0.0611 0.1447 0.1447 0.1719 0.1719 0.1758 0.1758 3.4282 3.4282 4.9900 4.9900 6.1303 6.1303 6.3850 6.3850 6.6131 6.6131 6.7683 6.7683 7.7594 7.7594 9.0205 9.0205 9.5473 9.5473 9.5795 9.5795 k = 0.0610 0.0352 0.2975 ( 4502 PWs) bands (ev): -34.2849 -34.2849 -15.5519 -15.5519 -15.1882 -15.1882 -15.1570 -15.1570 -3.2847 -3.2847 -2.7867 -2.7867 -0.3533 -0.3533 -0.3379 -0.3379 -0.2883 -0.2883 -0.2594 -0.2594 -0.0691 -0.0691 -0.0013 -0.0013 0.0616 0.0616 0.1449 0.1449 0.1713 0.1713 0.1755 0.1755 3.4287 3.4287 4.9940 4.9940 5.9964 5.9964 6.3345 6.3345 6.5564 6.5564 6.7523 6.7523 7.8825 7.8825 9.0605 9.0605 9.5836 9.5836 9.6339 9.6339 k = 0.0732 0.0422 0.2975 ( 4506 PWs) bands (ev): -34.2849 -34.2849 -15.5520 -15.5520 -15.1882 -15.1882 -15.1573 -15.1573 -3.2739 -3.2739 -2.7765 -2.7765 -0.3524 -0.3524 -0.3373 -0.3373 -0.2895 -0.2895 -0.2573 -0.2573 -0.0678 -0.0678 -0.0005 -0.0005 0.0620 0.0620 0.1451 0.1451 0.1703 0.1703 0.1754 0.1754 3.4290 3.4290 4.9970 4.9970 5.8545 5.8545 6.2758 6.2758 6.4956 6.4956 6.7377 6.7377 7.9982 7.9982 9.1094 9.1094 9.6262 9.6262 9.6971 9.6971 k = 0.0854 0.0493 0.2975 ( 4510 PWs) bands (ev): -34.2849 -34.2849 -15.5522 -15.5522 -15.1883 -15.1883 -15.1578 -15.1578 -3.2611 -3.2611 -2.7647 -2.7647 -0.3514 -0.3514 -0.3366 -0.3366 -0.2906 -0.2906 -0.2550 -0.2550 -0.0664 -0.0664 0.0006 0.0006 0.0626 0.0626 0.1454 0.1454 0.1688 0.1688 0.1756 0.1756 3.4289 3.4289 4.9970 4.9970 5.7112 5.7112 6.2092 6.2092 6.4316 6.4316 6.7238 6.7238 8.1014 8.1014 9.1676 9.1676 9.6743 9.6743 9.7662 9.7662 k = 0.0976 0.0563 0.2975 ( 4512 PWs) bands (ev): -34.2848 -34.2848 -15.5524 -15.5524 -15.1884 -15.1884 -15.1583 -15.1583 -3.2465 -3.2465 -2.7511 -2.7511 -0.3503 -0.3503 -0.3359 -0.3359 -0.2917 -0.2917 -0.2527 -0.2527 -0.0647 -0.0647 0.0017 0.0017 0.0633 0.0633 0.1457 0.1457 0.1670 0.1670 0.1761 0.1761 3.4282 3.4282 4.9898 4.9898 5.5736 5.5736 6.1351 6.1351 6.3658 6.3658 6.7095 6.7095 8.1889 8.1889 9.2340 9.2340 9.7269 9.7269 9.8356 9.8356 k = 0.1098 0.0634 0.2975 ( 4512 PWs) bands (ev): -34.2848 -34.2848 -15.5526 -15.5526 -15.1885 -15.1885 -15.1588 -15.1588 -3.2301 -3.2301 -2.7359 -2.7359 -0.3489 -0.3489 -0.3349 -0.3349 -0.2928 -0.2928 -0.2502 -0.2502 -0.0628 -0.0628 0.0031 0.0031 0.0641 0.0641 0.1461 0.1461 0.1650 0.1650 0.1767 0.1767 3.4268 3.4268 4.9675 4.9675 5.4512 5.4512 6.0547 6.0547 6.2997 6.2997 6.6945 6.6945 8.2590 8.2590 9.3037 9.3037 9.7825 9.7825 9.8654 9.8654 k = 0.1220 0.0704 0.2975 ( 4516 PWs) bands (ev): -34.2848 -34.2848 -15.5529 -15.5529 -15.1886 -15.1886 -15.1594 -15.1594 -3.2118 -3.2118 -2.7190 -2.7190 -0.3475 -0.3475 -0.3339 -0.3339 -0.2937 -0.2937 -0.2477 -0.2477 -0.0608 -0.0608 0.0045 0.0045 0.0649 0.0649 0.1465 0.1465 0.1628 0.1628 0.1775 0.1775 3.4242 3.4242 4.9178 4.9178 5.3573 5.3573 5.9693 5.9693 6.2338 6.2338 6.6783 6.6783 8.3118 8.3118 9.3649 9.3649 9.8132 9.8132 9.8458 9.8458 k = 0.1341 0.0774 0.2975 ( 4518 PWs) bands (ev): -34.2847 -34.2847 -15.5532 -15.5532 -15.1887 -15.1887 -15.1600 -15.1600 -3.1918 -3.1918 -2.7007 -2.7007 -0.3459 -0.3459 -0.3327 -0.3327 -0.2944 -0.2944 -0.2451 -0.2451 -0.0585 -0.0585 0.0061 0.0061 0.0658 0.0658 0.1467 0.1467 0.1607 0.1607 0.1784 0.1784 3.4201 3.4201 4.8319 4.8319 5.3014 5.3014 5.8809 5.8809 6.1685 6.1685 6.6609 6.6609 8.3491 8.3491 9.3955 9.3955 9.7920 9.7920 9.9034 9.9034 k = 0.1463 0.0845 0.2975 ( 4520 PWs) bands (ev): -34.2847 -34.2847 -15.5535 -15.5535 -15.1888 -15.1888 -15.1607 -15.1607 -3.1701 -3.1701 -2.6810 -2.6810 -0.3443 -0.3443 -0.3313 -0.3313 -0.2951 -0.2951 -0.2425 -0.2425 -0.0560 -0.0560 0.0079 0.0079 0.0668 0.0668 0.1468 0.1468 0.1588 0.1588 0.1794 0.1794 3.4141 3.4141 4.7156 4.7156 5.2776 5.2776 5.7914 5.7914 6.1040 6.1040 6.6422 6.6422 8.3733 8.3733 9.3791 9.3791 9.8107 9.8107 9.9635 9.9635 k = 0.1585 0.0915 0.2975 ( 4512 PWs) bands (ev): -34.2846 -34.2846 -15.5538 -15.5538 -15.1889 -15.1889 -15.1613 -15.1613 -3.1468 -3.1468 -2.6598 -2.6598 -0.3426 -0.3426 -0.3296 -0.3296 -0.2956 -0.2956 -0.2397 -0.2397 -0.0533 -0.0533 0.0098 0.0098 0.0678 0.0678 0.1462 0.1462 0.1575 0.1575 0.1808 0.1808 3.4058 3.4058 4.5816 4.5816 5.2731 5.2731 5.7032 5.7032 6.0403 6.0403 6.6223 6.6223 8.3868 8.3868 9.3270 9.3270 9.8506 9.8506 10.0230 10.0230 k = 0.1707 0.0986 0.2975 ( 4530 PWs) bands (ev): -34.2845 -34.2845 -15.5541 -15.5541 -15.1891 -15.1891 -15.1621 -15.1621 -3.1219 -3.1219 -2.6375 -2.6375 -0.3409 -0.3409 -0.3277 -0.3277 -0.2960 -0.2960 -0.2371 -0.2371 -0.0504 -0.0504 0.0118 0.0118 0.0687 0.0687 0.1447 0.1447 0.1571 0.1571 0.1823 0.1823 3.3946 3.3946 4.4392 4.4392 5.2773 5.2773 5.6189 5.6189 5.9775 5.9775 6.6013 6.6013 8.3919 8.3919 9.2583 9.2583 9.8836 9.8836 10.0806 10.0806 k = 0.1829 0.1056 0.2975 ( 4532 PWs) bands (ev): -34.2845 -34.2845 -15.5545 -15.5545 -15.1893 -15.1893 -15.1628 -15.1628 -3.0955 -3.0955 -2.6140 -2.6140 -0.3392 -0.3392 -0.3255 -0.3255 -0.2962 -0.2962 -0.2343 -0.2343 -0.0474 -0.0474 0.0140 0.0140 0.0698 0.0698 0.1425 0.1425 0.1576 0.1576 0.1842 0.1842 3.3799 3.3799 4.2933 4.2933 5.2823 5.2823 5.5433 5.5433 5.9157 5.9157 6.5795 6.5795 8.3903 8.3903 9.1838 9.1838 9.8976 9.8976 10.1351 10.1351 k = 0.1951 0.1127 0.2975 ( 4522 PWs) bands (ev): -34.2844 -34.2844 -15.5548 -15.5548 -15.1895 -15.1895 -15.1635 -15.1635 -3.0677 -3.0677 -2.5894 -2.5894 -0.3375 -0.3375 -0.3229 -0.3229 -0.2963 -0.2963 -0.2314 -0.2314 -0.0441 -0.0441 0.0162 0.0162 0.0708 0.0708 0.1397 0.1397 0.1587 0.1587 0.1866 0.1866 3.3612 3.3612 4.1467 4.1467 5.2779 5.2779 5.4851 5.4851 5.8553 5.8553 6.5570 6.5570 8.3836 8.3836 9.1086 9.1086 9.8935 9.8935 10.1842 10.1842 k = 0.2073 0.1197 0.2975 ( 4530 PWs) bands (ev): -34.2843 -34.2843 -15.5552 -15.5552 -15.1897 -15.1897 -15.1643 -15.1643 -3.0386 -3.0386 -2.5640 -2.5640 -0.3359 -0.3359 -0.3201 -0.3201 -0.2962 -0.2962 -0.2285 -0.2285 -0.0407 -0.0407 0.0186 0.0186 0.0717 0.0717 0.1366 0.1366 0.1601 0.1601 0.1894 0.1894 3.3377 3.3377 4.0010 4.0010 5.2518 5.2518 5.4558 5.4558 5.7964 5.7964 6.5339 6.5339 8.3730 8.3730 9.0351 9.0351 9.8757 9.8757 10.2249 10.2249 k = 0.2195 0.1267 0.2975 ( 4534 PWs) bands (ev): -34.2843 -34.2843 -15.5556 -15.5556 -15.1899 -15.1899 -15.1651 -15.1651 -3.0083 -3.0083 -2.5378 -2.5378 -0.3342 -0.3342 -0.3168 -0.3168 -0.2961 -0.2961 -0.2256 -0.2256 -0.0372 -0.0372 0.0210 0.0210 0.0726 0.0726 0.1334 0.1334 0.1616 0.1616 0.1929 0.1929 3.3088 3.3088 3.8573 3.8573 5.2047 5.2047 5.4546 5.4546 5.7398 5.7398 6.5105 6.5105 8.3593 8.3593 8.9646 8.9646 9.8475 9.8475 10.2300 10.2300 k = 0.2317 0.1338 0.2975 ( 4538 PWs) bands (ev): -34.2842 -34.2842 -15.5560 -15.5560 -15.1902 -15.1902 -15.1658 -15.1658 -2.9769 -2.9769 -2.5109 -2.5109 -0.3326 -0.3326 -0.3133 -0.3133 -0.2958 -0.2958 -0.2225 -0.2225 -0.0335 -0.0335 0.0235 0.0235 0.0734 0.0734 0.1300 0.1300 0.1633 0.1633 0.1971 0.1971 3.2738 3.2738 3.7167 3.7167 5.1488 5.1488 5.4684 5.4684 5.6863 5.6863 6.4870 6.4870 8.3434 8.3434 8.8978 8.8978 9.8104 9.8104 10.1419 10.1419 k = 0.2439 0.1408 0.2975 ( 4542 PWs) bands (ev): -34.2841 -34.2841 -15.5564 -15.5564 -15.1904 -15.1904 -15.1666 -15.1666 -2.9445 -2.9445 -2.4836 -2.4836 -0.3311 -0.3311 -0.3095 -0.3095 -0.2954 -0.2954 -0.2194 -0.2194 -0.0297 -0.0297 0.0261 0.0261 0.0740 0.0740 0.1267 0.1267 0.1649 0.1649 0.2020 0.2020 3.2317 3.2317 3.5802 3.5802 5.0930 5.0930 5.4860 5.4860 5.6386 5.6386 6.4636 6.4636 8.3260 8.3260 8.8352 8.8352 9.7645 9.7645 10.0529 10.0529 k = 0.2561 0.1479 0.2975 ( 4538 PWs) bands (ev): -34.2841 -34.2841 -15.5568 -15.5568 -15.1907 -15.1907 -15.1673 -15.1673 -2.9114 -2.9114 -2.4560 -2.4560 -0.3294 -0.3294 -0.3054 -0.3054 -0.2948 -0.2948 -0.2160 -0.2160 -0.0258 -0.0258 0.0288 0.0288 0.0745 0.0745 0.1235 0.1235 0.1665 0.1665 0.2079 0.2079 3.1814 3.1814 3.4494 3.4494 5.0411 5.0411 5.4954 5.4954 5.6052 5.6052 6.4406 6.4406 8.3077 8.3077 8.7770 8.7770 9.7090 9.7090 9.9691 9.9691 k = 0.2683 0.1549 0.2975 ( 4540 PWs) bands (ev): -34.2840 -34.2840 -15.5572 -15.5572 -15.1910 -15.1910 -15.1680 -15.1680 -2.8776 -2.8776 -2.4282 -2.4282 -0.3278 -0.3278 -0.3012 -0.3012 -0.2939 -0.2939 -0.2126 -0.2126 -0.0219 -0.0219 0.0315 0.0315 0.0749 0.0749 0.1204 0.1204 0.1680 0.1680 0.2146 0.2146 3.1207 3.1207 3.3269 3.3269 4.9946 4.9946 5.4797 5.4797 5.6012 5.6012 6.4180 6.4180 8.2890 8.2890 8.7234 8.7234 9.6431 9.6431 9.8937 9.8937 k = 0.2805 0.1619 0.2975 ( 4532 PWs) bands (ev): -34.2839 -34.2839 -15.5576 -15.5576 -15.1912 -15.1912 -15.1686 -15.1686 -2.8432 -2.8432 -2.4004 -2.4004 -0.3261 -0.3261 -0.2975 -0.2975 -0.2923 -0.2923 -0.2089 -0.2089 -0.0179 -0.0179 0.0343 0.0343 0.0751 0.0751 0.1177 0.1177 0.1696 0.1696 0.2221 0.2221 3.0466 3.0466 3.2162 3.2162 4.9541 4.9541 5.4440 5.4440 5.6206 5.6206 6.3963 6.3963 8.2705 8.2705 8.6744 8.6744 9.5676 9.5676 9.8274 9.8274 k = 0.2927 0.1690 0.2975 ( 4528 PWs) bands (ev): -34.2839 -34.2839 -15.5579 -15.5579 -15.1915 -15.1915 -15.1692 -15.1692 -2.8086 -2.8086 -2.3729 -2.3729 -0.3244 -0.3244 -0.2952 -0.2952 -0.2890 -0.2890 -0.2050 -0.2050 -0.0138 -0.0138 0.0372 0.0372 0.0752 0.0752 0.1151 0.1151 0.1711 0.1711 0.2304 0.2304 2.9574 2.9574 3.1199 3.1199 4.9198 4.9198 5.4026 5.4026 5.6486 5.6486 6.3755 6.3755 8.2526 8.2526 8.6300 8.6300 9.4851 9.4851 9.7685 9.7685 k = 0.3049 0.1760 0.2975 ( 4520 PWs) bands (ev): -34.2838 -34.2838 -15.5583 -15.5583 -15.1918 -15.1918 -15.1698 -15.1698 -2.7739 -2.7739 -2.3457 -2.3457 -0.3227 -0.3227 -0.2940 -0.2940 -0.2845 -0.2845 -0.2009 -0.2009 -0.0099 -0.0099 0.0401 0.0401 0.0751 0.0751 0.1130 0.1130 0.1727 0.1727 0.2395 0.2395 2.8568 2.8568 3.0353 3.0353 4.8911 4.8911 5.3609 5.3609 5.6793 5.6793 6.3560 6.3560 8.2358 8.2358 8.5900 8.5900 9.3989 9.3989 9.7148 9.7148 k = 0.3171 0.1831 0.2975 ( 4514 PWs) bands (ev): -34.2837 -34.2837 -15.5587 -15.5587 -15.1921 -15.1921 -15.1704 -15.1704 -2.7392 -2.7392 -2.3192 -2.3192 -0.3209 -0.3209 -0.2932 -0.2932 -0.2795 -0.2795 -0.1965 -0.1965 -0.0061 -0.0061 0.0430 0.0430 0.0748 0.0748 0.1114 0.1114 0.1744 0.1744 0.2490 0.2490 2.7515 2.7515 2.9567 2.9567 4.8678 4.8678 5.3206 5.3206 5.7106 5.7106 6.3380 6.3380 8.2204 8.2204 8.5543 8.5543 9.3117 9.3117 9.6641 9.6641 k = 0.3293 0.1901 0.2975 ( 4524 PWs) bands (ev): -34.2837 -34.2837 -15.5591 -15.5591 -15.1925 -15.1925 -15.1709 -15.1709 -2.7049 -2.7049 -2.2934 -2.2934 -0.3191 -0.3191 -0.2925 -0.2925 -0.2744 -0.2744 -0.1918 -0.1918 -0.0024 -0.0024 0.0457 0.0457 0.0745 0.0745 0.1105 0.1105 0.1763 0.1763 0.2590 0.2590 2.6466 2.6466 2.8804 2.8804 4.8492 4.8492 5.2825 5.2825 5.7416 5.7416 6.3218 6.3218 8.2066 8.2066 8.5226 8.5226 9.2256 9.2256 9.6152 9.6152 k = 0.3415 0.1971 0.2975 ( 4520 PWs) bands (ev): -34.2836 -34.2836 -15.5594 -15.5594 -15.1928 -15.1928 -15.1714 -15.1714 -2.6711 -2.6711 -2.2685 -2.2685 -0.3173 -0.3173 -0.2920 -0.2920 -0.2693 -0.2693 -0.1867 -0.1867 0.0010 0.0010 0.0482 0.0482 0.0743 0.0743 0.1102 0.1102 0.1784 0.1784 0.2693 0.2693 2.5447 2.5447 2.8050 2.8050 4.8345 4.8345 5.2469 5.2469 5.7713 5.7713 6.3076 6.3076 8.1947 8.1947 8.4948 8.4948 9.1423 9.1423 9.5672 9.5672 k = 0.3537 0.2042 0.2975 ( 4524 PWs) bands (ev): -34.2835 -34.2835 -15.5598 -15.5598 -15.1932 -15.1932 -15.1719 -15.1719 -2.6382 -2.6382 -2.2448 -2.2448 -0.3155 -0.3155 -0.2915 -0.2915 -0.2643 -0.2643 -0.1813 -0.1813 0.0041 0.0041 0.0501 0.0501 0.0743 0.0743 0.1108 0.1108 0.1808 0.1808 0.2795 0.2795 2.4474 2.4474 2.7302 2.7302 4.8230 4.8230 5.2141 5.2141 5.7993 5.7993 6.2957 6.2957 8.1848 8.1848 8.4705 8.4705 9.0629 9.0629 9.5196 9.5196 k = 0.3659 0.2112 0.2975 ( 4530 PWs) bands (ev): -34.2835 -34.2835 -15.5601 -15.5601 -15.1935 -15.1935 -15.1723 -15.1723 -2.6064 -2.6064 -2.2225 -2.2225 -0.3137 -0.3137 -0.2912 -0.2912 -0.2595 -0.2595 -0.1757 -0.1757 0.0068 0.0068 0.0512 0.0512 0.0748 0.0748 0.1124 0.1124 0.1838 0.1838 0.2894 0.2894 2.3557 2.3557 2.6564 2.6564 4.8142 4.8142 5.1843 5.1843 5.8249 5.8249 6.2864 6.2864 8.1768 8.1768 8.4492 8.4492 8.9887 8.9887 9.4722 9.4722 k = 0.3780 0.2183 0.2975 ( 4532 PWs) bands (ev): -34.2834 -34.2834 -15.5604 -15.5604 -15.1938 -15.1938 -15.1727 -15.1727 -2.5759 -2.5759 -2.2016 -2.2016 -0.3119 -0.3119 -0.2909 -0.2909 -0.2550 -0.2550 -0.1698 -0.1698 0.0093 0.0093 0.0512 0.0512 0.0759 0.0759 0.1148 0.1148 0.1875 0.1875 0.2988 0.2988 2.2706 2.2706 2.5841 2.5841 4.8074 4.8074 5.1575 5.1575 5.8478 5.8478 6.2799 6.2799 8.1706 8.1706 8.4304 8.4304 8.9210 8.9210 9.4249 9.4249 k = 0.3902 0.2253 0.2975 ( 4540 PWs) bands (ev): -34.2834 -34.2834 -15.5607 -15.5607 -15.1941 -15.1941 -15.1730 -15.1730 -2.5471 -2.5471 -2.1823 -2.1823 -0.3101 -0.3101 -0.2907 -0.2907 -0.2509 -0.2509 -0.1638 -0.1638 0.0115 0.0115 0.0504 0.0504 0.0772 0.0772 0.1181 0.1181 0.1921 0.1921 0.3071 0.3071 2.1926 2.1926 2.5141 2.5141 4.8020 4.8020 5.1339 5.1339 5.8677 5.8677 6.2760 6.2760 8.1662 8.1662 8.4131 8.4131 8.8612 8.8612 9.3779 9.3779 k = 0.4024 0.2323 0.2975 ( 4538 PWs) bands (ev): -34.2834 -34.2834 -15.5610 -15.5610 -15.1944 -15.1944 -15.1733 -15.1733 -2.5203 -2.5203 -2.1648 -2.1648 -0.3083 -0.3083 -0.2907 -0.2907 -0.2471 -0.2471 -0.1578 -0.1578 0.0134 0.0134 0.0490 0.0490 0.0786 0.0786 0.1220 0.1220 0.1978 0.1978 0.3141 0.3141 2.1223 2.1223 2.4473 2.4473 4.7977 4.7977 5.1135 5.1135 5.8843 5.8843 6.2749 6.2749 8.1636 8.1636 8.3962 8.3962 8.8107 8.8107 9.3313 9.3313 k = 0.4146 0.2394 0.2975 ( 4538 PWs) bands (ev): -34.2833 -34.2833 -15.5612 -15.5612 -15.1947 -15.1947 -15.1736 -15.1736 -2.4957 -2.4957 -2.1491 -2.1491 -0.3066 -0.3066 -0.2907 -0.2907 -0.2437 -0.2437 -0.1519 -0.1519 0.0152 0.0152 0.0471 0.0471 0.0798 0.0798 0.1262 0.1262 0.2051 0.2051 0.3194 0.3194 2.0603 2.0603 2.3844 2.3844 4.7940 4.7940 5.0962 5.0962 5.8977 5.8977 6.2761 6.2761 8.1625 8.1625 8.3785 8.3785 8.7708 8.7708 9.2855 9.2855 k = 0.4268 0.2464 0.2975 ( 4534 PWs) bands (ev): -34.2833 -34.2833 -15.5614 -15.5614 -15.1949 -15.1949 -15.1738 -15.1738 -2.4736 -2.4736 -2.1354 -2.1354 -0.3050 -0.3050 -0.2909 -0.2909 -0.2408 -0.2408 -0.1463 -0.1463 0.0167 0.0167 0.0449 0.0449 0.0809 0.0809 0.1302 0.1302 0.2139 0.2139 0.3226 0.3226 2.0069 2.0069 2.3264 2.3264 4.7908 4.7908 5.0819 5.0819 5.9081 5.9081 6.2792 6.2792 8.1631 8.1631 8.3591 8.3591 8.7424 8.7424 9.2411 9.2411 k = 0.4390 0.2535 0.2975 ( 4534 PWs) bands (ev): -34.2833 -34.2833 -15.5616 -15.5616 -15.1951 -15.1951 -15.1739 -15.1739 -2.4544 -2.4544 -2.1238 -2.1238 -0.3035 -0.3035 -0.2912 -0.2912 -0.2383 -0.2383 -0.1412 -0.1412 0.0182 0.0182 0.0427 0.0427 0.0817 0.0817 0.1339 0.1339 0.2243 0.2243 0.3233 0.3233 1.9624 1.9624 2.2744 2.2744 4.7880 4.7880 5.0703 5.0703 5.9158 5.9158 6.2835 6.2835 8.1654 8.1654 8.3378 8.3378 8.7250 8.7250 9.1991 9.1991 k = 0.4512 0.2605 0.2975 ( 4530 PWs) bands (ev): -34.2832 -34.2832 -15.5617 -15.5617 -15.1953 -15.1953 -15.1741 -15.1741 -2.4383 -2.4383 -2.1142 -2.1142 -0.3020 -0.3020 -0.2916 -0.2916 -0.2363 -0.2363 -0.1368 -0.1368 0.0195 0.0195 0.0406 0.0406 0.0824 0.0824 0.1369 0.1369 0.2361 0.2361 0.3215 0.3215 1.9267 1.9267 2.2295 2.2295 4.7856 4.7856 5.0613 5.0613 5.9214 5.9214 6.2883 6.2883 8.1694 8.1694 8.3153 8.3153 8.7172 8.7172 9.1604 9.1604 k = 0.4634 0.2676 0.2975 ( 4538 PWs) bands (ev): -34.2832 -34.2832 -15.5618 -15.5618 -15.1954 -15.1954 -15.1742 -15.1742 -2.4255 -2.4255 -2.1067 -2.1067 -0.3008 -0.3008 -0.2920 -0.2920 -0.2347 -0.2347 -0.1331 -0.1331 0.0207 0.0207 0.0386 0.0386 0.0829 0.0829 0.1391 0.1391 0.2488 0.2488 0.3170 0.3170 1.8996 1.8996 2.1928 2.1928 4.7835 4.7835 5.0547 5.0547 5.9252 5.9252 6.2928 6.2928 8.1750 8.1750 8.2932 8.2932 8.7164 8.7164 9.1267 9.1267 k = 0.4756 0.2746 0.2975 ( 4538 PWs) bands (ev): -34.2832 -34.2832 -15.5619 -15.5619 -15.1955 -15.1955 -15.1743 -15.1743 -2.4162 -2.4162 -2.1013 -2.1013 -0.2997 -0.2997 -0.2925 -0.2925 -0.2336 -0.2336 -0.1305 -0.1305 0.0217 0.0217 0.0369 0.0369 0.0832 0.0832 0.1407 0.1407 0.2620 0.2620 0.3101 0.3101 1.8808 1.8808 2.1655 2.1655 4.7820 4.7820 5.0501 5.0501 5.9276 5.9276 6.2966 6.2966 8.1820 8.1820 8.2732 8.2732 8.7194 8.7194 9.1001 9.1001 k = 0.4878 0.2816 0.2975 ( 4536 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1743 -15.1743 -2.4105 -2.4105 -2.0981 -2.0981 -0.2990 -0.2990 -0.2929 -0.2929 -0.2329 -0.2329 -0.1288 -0.1288 0.0225 0.0225 0.0358 0.0358 0.0834 0.0834 0.1417 0.1417 0.2747 0.2747 0.3013 0.3013 1.8698 1.8698 2.1486 2.1486 4.7810 4.7810 5.0474 5.0474 5.9289 5.9289 6.2990 6.2990 8.1888 8.1888 8.2581 8.2581 8.7230 8.7230 9.0828 9.0828 k = 0.5000 0.2887 0.2975 ( 4544 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4087 -2.4087 -2.0971 -2.0971 -0.2988 -0.2988 -0.2930 -0.2930 -0.2327 -0.2327 -0.1283 -0.1283 0.0227 0.0227 0.0353 0.0353 0.0835 0.0835 0.1420 0.1420 0.2827 0.2827 0.2946 0.2946 1.8662 1.8662 2.1429 2.1429 4.7807 4.7807 5.0466 5.0466 5.9293 5.9293 6.2999 6.2999 8.1919 8.1919 8.2521 8.2521 8.7245 8.7245 9.0767 9.0767 k = 0.5000 0.2887 0.2975 ( 4544 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4087 -2.4087 -2.0971 -2.0971 -0.2988 -0.2988 -0.2930 -0.2930 -0.2327 -0.2327 -0.1283 -0.1283 0.0227 0.0227 0.0353 0.0353 0.0835 0.0835 0.1420 0.1420 0.2827 0.2827 0.2946 0.2946 1.8662 1.8662 2.1429 2.1429 4.7807 4.7807 5.0466 5.0466 5.9293 5.9293 6.2999 6.2999 8.1919 8.1919 8.2521 8.2521 8.7245 8.7245 9.0767 9.0767 k = 0.4931 0.3007 0.2975 ( 4536 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4080 -2.4080 -2.0970 -2.0970 -0.2987 -0.2987 -0.2929 -0.2929 -0.2327 -0.2327 -0.1282 -0.1282 0.0228 0.0228 0.0354 0.0354 0.0835 0.0835 0.1419 0.1419 0.2819 0.2819 0.2957 0.2957 1.8669 1.8669 2.1434 2.1434 4.7786 4.7786 5.0411 5.0411 5.9245 5.9245 6.2933 6.2933 8.1956 8.1956 8.2603 8.2603 8.7361 8.7361 9.0787 9.0787 k = 0.4861 0.3127 0.2975 ( 4542 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1955 -15.1955 -15.1745 -15.1745 -2.4060 -2.4060 -2.0968 -2.0968 -0.2987 -0.2987 -0.2927 -0.2927 -0.2330 -0.2330 -0.1280 -0.1280 0.0230 0.0230 0.0357 0.0357 0.0834 0.0834 0.1418 0.1418 0.2801 0.2801 0.2986 0.2986 1.8691 1.8691 2.1448 2.1448 4.7718 4.7718 5.0257 5.0257 5.9094 5.9094 6.2748 6.2748 8.2060 8.2060 8.2839 8.2839 8.7705 8.7705 9.0849 9.0849 k = 0.4792 0.3248 0.2975 ( 4542 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1955 -15.1955 -15.1746 -15.1746 -2.4027 -2.4027 -2.0964 -2.0964 -0.2987 -0.2987 -0.2923 -0.2923 -0.2334 -0.2334 -0.1276 -0.1276 0.0233 0.0233 0.0361 0.0361 0.0834 0.0834 0.1416 0.1416 0.2781 0.2781 0.3024 0.3024 1.8727 1.8727 2.1472 2.1472 4.7582 4.7582 5.0031 5.0031 5.8834 5.8834 6.2476 6.2476 8.2216 8.2216 8.3208 8.3208 8.8272 8.8272 9.0966 9.0966 k = 0.4722 0.3368 0.2975 ( 4540 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1954 -15.1954 -15.1748 -15.1748 -2.3981 -2.3981 -2.0959 -2.0959 -0.2986 -0.2986 -0.2917 -0.2917 -0.2339 -0.2339 -0.1271 -0.1271 0.0238 0.0238 0.0367 0.0367 0.0833 0.0833 0.1412 0.1412 0.2761 0.2761 0.3069 0.3069 1.8776 1.8776 2.1505 2.1505 4.7349 4.7349 4.9778 4.9778 5.8456 5.8456 6.2158 6.2158 8.2406 8.2406 8.3675 8.3675 8.9047 8.9047 9.1157 9.1157 k = 0.4653 0.3488 0.2975 ( 4546 PWs) bands (ev): -34.2832 -34.2832 -15.5621 -15.5621 -15.1952 -15.1952 -15.1751 -15.1751 -2.3922 -2.3922 -2.0954 -2.0954 -0.2985 -0.2985 -0.2910 -0.2910 -0.2345 -0.2345 -0.1265 -0.1265 0.0244 0.0244 0.0374 0.0374 0.0833 0.0833 0.1407 0.1407 0.2744 0.2744 0.3118 0.3118 1.8839 1.8839 2.1546 2.1546 4.6987 4.6987 4.9543 4.9543 5.7962 5.7962 6.1834 6.1834 8.2615 8.2615 8.4196 8.4196 9.0007 9.0007 9.1451 9.1451 k = 0.4583 0.3608 0.2975 ( 4544 PWs) bands (ev): -34.2832 -34.2832 -15.5621 -15.5621 -15.1951 -15.1951 -15.1753 -15.1753 -2.3852 -2.3852 -2.0947 -2.0947 -0.2984 -0.2984 -0.2902 -0.2902 -0.2353 -0.2353 -0.1257 -0.1257 0.0251 0.0251 0.0383 0.0383 0.0832 0.0832 0.1401 0.1401 0.2729 0.2729 0.3171 0.3171 1.8914 1.8914 2.1595 2.1595 4.6483 4.6483 4.9352 4.9352 5.7368 5.7368 6.1524 6.1524 8.2837 8.2837 8.4718 8.4718 9.1117 9.1117 9.1883 9.1883 k = 0.4514 0.3729 0.2975 ( 4548 PWs) bands (ev): -34.2832 -34.2832 -15.5622 -15.5622 -15.1949 -15.1949 -15.1757 -15.1757 -2.3769 -2.3769 -2.0941 -2.0941 -0.2983 -0.2983 -0.2892 -0.2892 -0.2362 -0.2362 -0.1247 -0.1247 0.0260 0.0260 0.0393 0.0393 0.0830 0.0830 0.1393 0.1393 0.2718 0.2718 0.3228 0.3228 1.9001 1.9001 2.1649 2.1649 4.5854 4.5854 4.9200 4.9200 5.6709 5.6709 6.1236 6.1236 8.3069 8.3069 8.5194 8.5194 9.2295 9.2295 9.2533 9.2533 k = 0.4444 0.3849 0.2975 ( 4548 PWs) bands (ev): -34.2831 -34.2831 -15.5622 -15.5622 -15.1947 -15.1947 -15.1761 -15.1761 -2.3675 -2.3675 -2.0934 -2.0934 -0.2981 -0.2981 -0.2881 -0.2881 -0.2371 -0.2371 -0.1237 -0.1237 0.0270 0.0270 0.0404 0.0404 0.0829 0.0829 0.1383 0.1383 0.2710 0.2710 0.3289 0.3289 1.9098 1.9098 2.1708 2.1708 4.5131 4.5131 4.9060 4.9060 5.6027 5.6027 6.0965 6.0965 8.3310 8.3310 8.5588 8.5588 9.3189 9.3189 9.3740 9.3740 k = 0.4375 0.3969 0.2975 ( 4548 PWs) bands (ev): -34.2831 -34.2831 -15.5623 -15.5623 -15.1945 -15.1945 -15.1765 -15.1765 -2.3571 -2.3571 -2.0929 -2.0929 -0.2980 -0.2980 -0.2869 -0.2869 -0.2382 -0.2382 -0.1224 -0.1224 0.0281 0.0281 0.0418 0.0418 0.0828 0.0828 0.1372 0.1372 0.2705 0.2705 0.3351 0.3351 1.9205 1.9205 2.1770 2.1770 4.4347 4.4347 4.8897 4.8897 5.5371 5.5371 6.0706 6.0706 8.3559 8.3559 8.5886 8.5886 9.4131 9.4131 9.5133 9.5133 k = 0.4306 0.4090 0.2975 ( 4552 PWs) bands (ev): -34.2831 -34.2831 -15.5623 -15.5623 -15.1943 -15.1943 -15.1769 -15.1769 -2.3457 -2.3457 -2.0925 -2.0925 -0.2978 -0.2978 -0.2856 -0.2856 -0.2392 -0.2392 -0.1211 -0.1211 0.0291 0.0291 0.0433 0.0433 0.0826 0.0826 0.1358 0.1358 0.2703 0.2703 0.3416 0.3416 1.9320 1.9320 2.1834 2.1834 4.3528 4.3528 4.8681 4.8681 5.4787 5.4787 6.0450 6.0450 8.3818 8.3818 8.6095 8.6095 9.5208 9.5208 9.6573 9.6573 k = 0.4236 0.4210 0.2975 ( 4544 PWs) bands (ev): -34.2831 -34.2831 -15.5624 -15.5624 -15.1940 -15.1940 -15.1774 -15.1774 -2.3335 -2.3335 -2.0923 -2.0923 -0.2976 -0.2976 -0.2842 -0.2842 -0.2403 -0.2403 -0.1196 -0.1196 0.0302 0.0302 0.0451 0.0451 0.0825 0.0825 0.1343 0.1343 0.2705 0.2705 0.3482 0.3482 1.9441 1.9441 2.1897 2.1897 4.2696 4.2696 4.8384 4.8384 5.4314 5.4314 6.0194 6.0194 8.4085 8.4085 8.6232 8.6232 9.6387 9.6387 9.8025 9.8025 k = 0.4167 0.4330 0.2975 ( 4544 PWs) bands (ev): -34.2831 -34.2831 -15.5624 -15.5624 -15.1937 -15.1937 -15.1779 -15.1779 -2.3204 -2.3204 -2.0924 -2.0924 -0.2975 -0.2975 -0.2827 -0.2827 -0.2415 -0.2415 -0.1180 -0.1180 0.0312 0.0312 0.0471 0.0471 0.0823 0.0823 0.1326 0.1326 0.2710 0.2710 0.3549 0.3549 1.9567 1.9567 2.1956 2.1956 4.1868 4.1868 4.7994 4.7994 5.3979 5.3979 5.9935 5.9935 8.4359 8.4359 8.6315 8.6315 9.7629 9.7629 9.9457 9.9457 k = 0.4097 0.4450 0.2975 ( 4550 PWs) bands (ev): -34.2831 -34.2831 -15.5625 -15.5625 -15.1935 -15.1935 -15.1784 -15.1784 -2.3067 -2.3067 -2.0929 -2.0929 -0.2974 -0.2974 -0.2812 -0.2812 -0.2426 -0.2426 -0.1163 -0.1163 0.0320 0.0320 0.0494 0.0494 0.0821 0.0821 0.1307 0.1307 0.2718 0.2718 0.3615 0.3615 1.9695 1.9695 2.2010 2.2010 4.1059 4.1059 4.7518 4.7518 5.3784 5.3784 5.9668 5.9668 8.4637 8.4637 8.6360 8.6360 9.8899 9.8899 10.0826 10.0826 k = 0.4028 0.4571 0.2975 ( 4560 PWs) bands (ev): -34.2831 -34.2831 -15.5626 -15.5626 -15.1932 -15.1932 -15.1790 -15.1790 -2.2924 -2.2924 -2.0938 -2.0938 -0.2972 -0.2972 -0.2797 -0.2797 -0.2437 -0.2437 -0.1146 -0.1146 0.0327 0.0327 0.0519 0.0519 0.0818 0.0818 0.1288 0.1288 0.2730 0.2730 0.3679 0.3679 1.9824 1.9824 2.2056 2.2056 4.0282 4.0282 4.6979 4.6979 5.3716 5.3716 5.9395 5.9395 8.4915 8.4915 8.6380 8.6380 10.0163 10.0163 10.2069 10.2069 k = 0.3958 0.4691 0.2975 ( 4556 PWs) bands (ev): -34.2831 -34.2831 -15.5627 -15.5627 -15.1929 -15.1929 -15.1795 -15.1795 -2.2776 -2.2776 -2.0953 -2.0953 -0.2971 -0.2971 -0.2781 -0.2781 -0.2448 -0.2448 -0.1128 -0.1128 0.0333 0.0333 0.0547 0.0547 0.0815 0.0815 0.1268 0.1268 0.2745 0.2745 0.3741 0.3741 1.9950 1.9950 2.2091 2.2091 3.9549 3.9549 4.6409 4.6409 5.3752 5.3752 5.9113 5.9113 8.5190 8.5190 8.6386 8.6386 10.1395 10.1395 10.3078 10.3078 k = 0.3889 0.4811 0.2975 ( 4556 PWs) bands (ev): -34.2830 -34.2830 -15.5627 -15.5627 -15.1926 -15.1926 -15.1800 -15.1800 -2.2626 -2.2626 -2.0974 -2.0974 -0.2970 -0.2970 -0.2766 -0.2766 -0.2458 -0.2458 -0.1111 -0.1111 0.0337 0.0337 0.0577 0.0577 0.0813 0.0813 0.1247 0.1247 0.2763 0.2763 0.3798 0.3798 2.0073 2.0073 2.2113 2.2113 3.8868 3.8868 4.5838 4.5838 5.3868 5.3868 5.8824 5.8824 8.5456 8.5456 8.6383 8.6383 10.2575 10.2575 10.3707 10.3707 k = 0.3819 0.4932 0.2975 ( 4560 PWs) bands (ev): -34.2830 -34.2830 -15.5628 -15.5628 -15.1923 -15.1923 -15.1805 -15.1805 -2.2474 -2.2474 -2.1002 -2.1002 -0.2969 -0.2969 -0.2751 -0.2751 -0.2468 -0.2468 -0.1093 -0.1093 0.0340 0.0340 0.0607 0.0607 0.0810 0.0810 0.1226 0.1226 0.2783 0.2783 0.3851 0.3851 2.0190 2.0190 2.2120 2.2120 3.8250 3.8250 4.5292 4.5292 5.4046 5.4046 5.8526 5.8526 8.5707 8.5707 8.6379 8.6379 10.3662 10.3662 10.3943 10.3943 k = 0.3750 0.5052 0.2975 ( 4566 PWs) bands (ev): -34.2830 -34.2830 -15.5629 -15.5629 -15.1920 -15.1920 -15.1810 -15.1810 -2.2322 -2.2322 -2.1038 -2.1038 -0.2968 -0.2968 -0.2736 -0.2736 -0.2477 -0.2477 -0.1077 -0.1077 0.0342 0.0342 0.0637 0.0637 0.0807 0.0807 0.1206 0.1206 0.2805 0.2805 0.3897 0.3897 2.0298 2.0298 2.2112 2.2112 3.7701 3.7701 4.4790 4.4790 5.4271 5.4271 5.8223 5.8223 8.5936 8.5936 8.6377 8.6377 10.3820 10.3820 10.4765 10.4765 k = 0.3681 0.5172 0.2975 ( 4570 PWs) bands (ev): -34.2830 -34.2830 -15.5629 -15.5629 -15.1918 -15.1918 -15.1814 -15.1814 -2.2171 -2.2171 -2.1084 -2.1084 -0.2968 -0.2968 -0.2723 -0.2723 -0.2486 -0.2486 -0.1061 -0.1061 0.0342 0.0342 0.0666 0.0666 0.0804 0.0804 0.1187 0.1187 0.2829 0.2829 0.3936 0.3936 2.0396 2.0396 2.2088 2.2088 3.7229 3.7229 4.4348 4.4348 5.4529 5.4529 5.7913 5.7913 8.6135 8.6135 8.6381 8.6381 10.3644 10.3644 10.5733 10.5733 k = 0.3611 0.5292 0.2975 ( 4566 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1916 -15.1916 -15.1817 -15.1817 -2.2024 -2.2024 -2.1139 -2.1139 -0.2967 -0.2967 -0.2711 -0.2711 -0.2493 -0.2493 -0.1047 -0.1047 0.0343 0.0343 0.0693 0.0693 0.0801 0.0801 0.1170 0.1170 0.2854 0.2854 0.3968 0.3968 2.0482 2.0482 2.2050 2.2050 3.6838 3.6838 4.3976 4.3976 5.4811 5.4811 5.7601 5.7601 8.6288 8.6288 8.6402 8.6402 10.3437 10.3437 10.6623 10.6623 k = 0.3542 0.5413 0.2975 ( 4562 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1914 -15.1914 -15.1820 -15.1820 -2.1883 -2.1883 -2.1204 -2.1204 -0.2966 -0.2966 -0.2701 -0.2701 -0.2498 -0.2498 -0.1035 -0.1035 0.0342 0.0342 0.0715 0.0715 0.0800 0.0800 0.1156 0.1156 0.2877 0.2877 0.3991 0.3991 2.0554 2.0554 2.2004 2.2004 3.6533 3.6533 4.3682 4.3682 5.5107 5.5107 5.7290 5.7290 8.6370 8.6370 8.6462 8.6462 10.3248 10.3248 10.7420 10.7420 k = 0.3472 0.5533 0.2975 ( 4562 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1912 -15.1912 -15.1823 -15.1823 -2.1749 -2.1749 -2.1281 -2.1281 -0.2966 -0.2966 -0.2694 -0.2694 -0.2502 -0.2502 -0.1026 -0.1026 0.0342 0.0342 0.0731 0.0731 0.0799 0.0799 0.1145 0.1145 0.2898 0.2898 0.4006 0.4006 2.0609 2.0609 2.1956 2.1956 3.6316 3.6316 4.3471 4.3471 5.5402 5.5402 5.6989 5.6989 8.6410 8.6410 8.6524 8.6524 10.3100 10.3100 10.8102 10.8102 k = 0.3403 0.5653 0.2975 ( 4562 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1629 -2.1629 -2.1364 -2.1364 -0.2965 -0.2965 -0.2689 -0.2689 -0.2504 -0.2504 -0.1021 -0.1021 0.0341 0.0341 0.0741 0.0741 0.0800 0.0800 0.1139 0.1139 0.2912 0.2912 0.4014 0.4014 2.0644 2.0644 2.1918 2.1918 3.6186 3.6186 4.3344 4.3344 5.5663 5.5663 5.6727 5.6727 8.6451 8.6451 8.6545 8.6545 10.3008 10.3008 10.8621 10.8621 k = 0.3333 0.5774 0.2975 ( 4554 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1559 -2.1559 -2.1421 -2.1421 -0.2965 -0.2965 -0.2687 -0.2687 -0.2505 -0.2505 -0.1019 -0.1019 0.0341 0.0341 0.0744 0.0744 0.0801 0.0801 0.1137 0.1137 0.2917 0.2917 0.4017 0.4017 2.0656 2.0656 2.1903 2.1903 3.6144 3.6144 4.3302 4.3302 5.5788 5.5788 5.6603 5.6603 8.6488 8.6488 8.6528 8.6528 10.2977 10.2977 10.8840 10.8840 k = 0.3333 0.5774 0.2975 ( 4554 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1559 -2.1559 -2.1421 -2.1421 -0.2965 -0.2965 -0.2687 -0.2687 -0.2505 -0.2505 -0.1019 -0.1019 0.0341 0.0341 0.0744 0.0744 0.0801 0.0801 0.1137 0.1137 0.2917 0.2917 0.4017 0.4017 2.0656 2.0656 2.1903 2.1903 3.6144 3.6144 4.3302 4.3302 5.5788 5.5788 5.6603 5.6603 8.6488 8.6488 8.6528 8.6528 10.2977 10.2977 10.8840 10.8840 k = 0.3264 0.5653 0.2975 ( 4564 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1631 -2.1631 -2.1363 -2.1363 -0.2966 -0.2966 -0.2689 -0.2689 -0.2505 -0.2505 -0.1021 -0.1021 0.0341 0.0341 0.0741 0.0741 0.0800 0.0800 0.1139 0.1139 0.2911 0.2911 0.4015 0.4015 2.0645 2.0645 2.1922 2.1922 3.6185 3.6185 4.3343 4.3343 5.5662 5.5662 5.6727 5.6727 8.6421 8.6421 8.6575 8.6575 10.3006 10.3006 10.8665 10.8665 k = 0.3194 0.5533 0.2975 ( 4572 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1912 -15.1912 -15.1823 -15.1823 -2.1758 -2.1758 -2.1278 -2.1278 -0.2966 -0.2966 -0.2693 -0.2693 -0.2503 -0.2503 -0.1028 -0.1028 0.0342 0.0342 0.0734 0.0734 0.0796 0.0796 0.1144 0.1144 0.2889 0.2889 0.4010 0.4010 2.0616 2.0616 2.1983 2.1983 3.6307 3.6307 4.3465 4.3465 5.5394 5.5394 5.6987 5.6987 8.6291 8.6291 8.6653 8.6653 10.3084 10.3084 10.8324 10.8324 k = 0.3125 0.5413 0.2975 ( 4572 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1913 -15.1913 -15.1821 -15.1821 -2.1907 -2.1907 -2.1201 -2.1201 -0.2967 -0.2967 -0.2700 -0.2700 -0.2502 -0.2502 -0.1040 -0.1040 0.0344 0.0344 0.0724 0.0724 0.0791 0.0791 0.1151 0.1151 0.2851 0.2851 0.4004 0.4004 2.0579 2.0579 2.2090 2.2090 3.6504 3.6504 4.3663 4.3663 5.5083 5.5083 5.7282 5.7282 8.6119 8.6119 8.6745 8.6745 10.3190 10.3190 10.7951 10.7951 k = 0.3056 0.5292 0.2975 ( 4568 PWs) bands (ev): -34.2830 -34.2830 -15.5629 -15.5629 -15.1915 -15.1915 -15.1818 -15.1818 -2.2074 -2.2074 -2.1139 -2.1139 -0.2968 -0.2968 -0.2709 -0.2709 -0.2500 -0.2500 -0.1057 -0.1057 0.0348 0.0348 0.0711 0.0711 0.0786 0.0786 0.1160 0.1160 0.2795 0.2795 0.3996 0.3996 2.0549 2.0549 2.2241 2.2241 3.6772 3.6772 4.3933 4.3933 5.4759 5.4759 5.7578 5.7578 8.5915 8.5915 8.6853 8.6853 10.3292 10.3292 10.7613 10.7613 k = 0.2986 0.5172 0.2975 ( 4560 PWs) bands (ev): -34.2830 -34.2830 -15.5629 -15.5629 -15.1916 -15.1916 -15.1814 -15.1814 -2.2258 -2.2258 -2.1094 -2.1094 -0.2969 -0.2969 -0.2720 -0.2720 -0.2500 -0.2500 -0.1080 -0.1080 0.0353 0.0353 0.0693 0.0693 0.0780 0.0780 0.1168 0.1168 0.2724 0.2724 0.3984 0.3984 2.0540 2.0540 2.2434 2.2434 3.7105 3.7105 4.4271 4.4271 5.4430 5.4430 5.7862 5.7862 8.5689 8.5689 8.6976 8.6976 10.3344 10.3344 10.7364 10.7364 k = 0.2917 0.5052 0.2975 ( 4556 PWs) bands (ev): -34.2830 -34.2830 -15.5628 -15.5628 -15.1918 -15.1918 -15.1810 -15.1810 -2.2459 -2.2459 -2.1067 -2.1067 -0.2970 -0.2970 -0.2732 -0.2732 -0.2501 -0.2501 -0.1108 -0.1108 0.0359 0.0359 0.0672 0.0672 0.0775 0.0775 0.1175 0.1175 0.2639 0.2639 0.3967 0.3967 2.0566 2.0566 2.2669 2.2669 3.7497 3.7497 4.4671 4.4671 5.4101 5.4101 5.8127 5.8127 8.5453 8.5453 8.7114 8.7114 10.3297 10.3297 10.7255 10.7255 k = 0.2847 0.4932 0.2975 ( 4552 PWs) bands (ev): -34.2830 -34.2830 -15.5626 -15.5626 -15.1919 -15.1919 -15.1806 -15.1806 -2.2677 -2.2677 -2.1060 -2.1060 -0.2973 -0.2973 -0.2746 -0.2746 -0.2504 -0.2504 -0.1143 -0.1143 0.0365 0.0365 0.0649 0.0649 0.0771 0.0771 0.1180 0.1180 0.2545 0.2545 0.3942 0.3942 2.0637 2.0637 2.2943 2.2943 3.7945 3.7945 4.5128 4.5128 5.3777 5.3777 5.8367 5.8367 8.5216 8.5216 8.7269 8.7269 10.3123 10.3123 10.7308 10.7308 k = 0.2778 0.4811 0.2975 ( 4554 PWs) bands (ev): -34.2831 -34.2831 -15.5625 -15.5625 -15.1920 -15.1920 -15.1801 -15.1801 -2.2912 -2.2912 -2.1072 -2.1072 -0.2976 -0.2976 -0.2761 -0.2761 -0.2509 -0.2509 -0.1183 -0.1183 0.0372 0.0372 0.0623 0.0623 0.0767 0.0767 0.1183 0.1183 0.2444 0.2444 0.3906 0.3906 2.0761 2.0761 2.3256 2.3256 3.8442 3.8442 4.5637 4.5637 5.3460 5.3460 5.8576 5.8576 8.4988 8.4988 8.7441 8.7441 10.2834 10.2834 10.7496 10.7496 k = 0.2708 0.4691 0.2975 ( 4538 PWs) bands (ev): -34.2831 -34.2831 -15.5623 -15.5623 -15.1921 -15.1921 -15.1796 -15.1796 -2.3162 -2.3162 -2.1106 -2.1106 -0.2979 -0.2979 -0.2776 -0.2776 -0.2517 -0.2517 -0.1227 -0.1227 0.0379 0.0379 0.0597 0.0597 0.0763 0.0763 0.1183 0.1183 0.2343 0.2343 0.3858 0.3858 2.0947 2.0947 2.3606 2.3606 3.8984 3.8984 4.6192 4.6192 5.3151 5.3151 5.8750 5.8750 8.4778 8.4778 8.7629 8.7629 10.2461 10.2461 10.7602 10.7602 k = 0.2639 0.4571 0.2975 ( 4530 PWs) bands (ev): -34.2831 -34.2831 -15.5621 -15.5621 -15.1922 -15.1922 -15.1790 -15.1790 -2.3429 -2.3429 -2.1161 -2.1161 -0.2983 -0.2983 -0.2793 -0.2793 -0.2527 -0.2527 -0.1277 -0.1277 0.0383 0.0383 0.0571 0.0571 0.0759 0.0759 0.1179 0.1179 0.2243 0.2243 0.3797 0.3797 2.1199 2.1199 2.3991 2.3991 3.9569 3.9569 4.6790 4.6790 5.2855 5.2855 5.8886 5.8886 8.4592 8.4592 8.7835 8.7835 10.2040 10.2040 10.7422 10.7422 k = 0.2569 0.4450 0.2975 ( 4526 PWs) bands (ev): -34.2831 -34.2831 -15.5619 -15.5619 -15.1923 -15.1923 -15.1784 -15.1784 -2.3710 -2.3710 -2.1237 -2.1237 -0.2988 -0.2988 -0.2810 -0.2810 -0.2540 -0.2540 -0.1330 -0.1330 0.0381 0.0381 0.0550 0.0550 0.0754 0.0754 0.1173 0.1173 0.2149 0.2149 0.3722 0.3722 2.1521 2.1521 2.4409 2.4409 4.0190 4.0190 4.7424 4.7424 5.2574 5.2574 5.8981 5.8981 8.4437 8.4437 8.8058 8.8058 10.1597 10.1597 10.7232 10.7232 k = 0.2500 0.4330 0.2975 ( 4530 PWs) bands (ev): -34.2832 -34.2832 -15.5617 -15.5617 -15.1923 -15.1923 -15.1779 -15.1779 -2.4005 -2.4005 -2.1335 -2.1335 -0.2994 -0.2994 -0.2829 -0.2829 -0.2557 -0.2557 -0.1388 -0.1388 0.0371 0.0371 0.0534 0.0534 0.0748 0.0748 0.1163 0.1163 0.2063 0.2063 0.3635 0.3635 2.1913 2.1913 2.4858 2.4858 4.0846 4.0846 4.8088 4.8088 5.2312 5.2312 5.9033 5.9033 8.4316 8.4316 8.8300 8.8300 10.1153 10.1153 10.7066 10.7066 k = 0.2431 0.4210 0.2975 ( 4526 PWs) bands (ev): -34.2832 -34.2832 -15.5615 -15.5615 -15.1923 -15.1923 -15.1773 -15.1773 -2.4313 -2.4313 -2.1453 -2.1453 -0.3001 -0.3001 -0.2847 -0.2847 -0.2576 -0.2576 -0.1447 -0.1447 0.0349 0.0349 0.0527 0.0527 0.0740 0.0740 0.1152 0.1152 0.1988 0.1988 0.3536 0.3536 2.2377 2.2377 2.5335 2.5335 4.1532 4.1532 4.8774 4.8774 5.2077 5.2077 5.9042 5.9042 8.4232 8.4232 8.8560 8.8560 10.0719 10.0719 10.6924 10.6924 k = 0.2361 0.4090 0.2975 ( 4516 PWs) bands (ev): -34.2833 -34.2833 -15.5612 -15.5612 -15.1923 -15.1923 -15.1766 -15.1766 -2.4633 -2.4633 -2.1592 -2.1592 -0.3009 -0.3009 -0.2867 -0.2867 -0.2598 -0.2598 -0.1509 -0.1509 0.0319 0.0319 0.0527 0.0527 0.0732 0.0732 0.1140 0.1140 0.1923 0.1923 0.3429 0.3429 2.2911 2.2911 2.5837 2.5837 4.2247 4.2247 4.9467 4.9467 5.1882 5.1882 5.9008 5.9008 8.4183 8.4183 8.8838 8.8838 10.0304 10.0304 10.6805 10.6805 k = 0.2292 0.3969 0.2975 ( 4504 PWs) bands (ev): -34.2833 -34.2833 -15.5609 -15.5609 -15.1922 -15.1922 -15.1760 -15.1760 -2.4963 -2.4963 -2.1750 -2.1750 -0.3017 -0.3017 -0.2887 -0.2887 -0.2622 -0.2622 -0.1571 -0.1571 0.0281 0.0281 0.0530 0.0530 0.0722 0.0722 0.1129 0.1129 0.1870 0.1870 0.3314 0.3314 2.3514 2.3514 2.6361 2.6361 4.2985 4.2985 5.0133 5.0133 5.1759 5.1759 5.8934 5.8934 8.4170 8.4170 8.9136 8.9136 9.9914 9.9914 10.6701 10.6702 k = 0.2222 0.3849 0.2975 ( 4518 PWs) bands (ev): -34.2834 -34.2834 -15.5606 -15.5606 -15.1922 -15.1922 -15.1754 -15.1754 -2.5302 -2.5302 -2.1927 -2.1927 -0.3027 -0.3027 -0.2908 -0.2908 -0.2649 -0.2649 -0.1633 -0.1633 0.0239 0.0239 0.0530 0.0530 0.0713 0.0713 0.1120 0.1120 0.1825 0.1825 0.3194 0.3194 2.4184 2.4184 2.6903 2.6903 4.3744 4.3744 5.0662 5.0662 5.1818 5.1818 5.8823 5.8823 8.4190 8.4190 8.9453 8.9453 9.9552 9.9552 10.6592 10.6592 k = 0.2153 0.3729 0.2975 ( 4518 PWs) bands (ev): -34.2834 -34.2834 -15.5603 -15.5603 -15.1921 -15.1921 -15.1747 -15.1747 -2.5648 -2.5648 -2.2121 -2.2121 -0.3038 -0.3038 -0.2930 -0.2930 -0.2678 -0.2678 -0.1694 -0.1694 0.0194 0.0194 0.0528 0.0528 0.0706 0.0706 0.1115 0.1115 0.1789 0.1789 0.3072 0.3072 2.4917 2.4917 2.7460 2.7460 4.4521 4.4521 5.0881 5.0881 5.2230 5.2230 5.8681 5.8681 8.4238 8.4238 8.9790 8.9790 9.9220 9.9220 10.6401 10.6402 k = 0.2083 0.3608 0.2975 ( 4518 PWs) bands (ev): -34.2835 -34.2835 -15.5600 -15.5600 -15.1920 -15.1920 -15.1740 -15.1740 -2.6001 -2.6001 -2.2330 -2.2330 -0.3051 -0.3051 -0.2952 -0.2952 -0.2708 -0.2708 -0.1753 -0.1753 0.0147 0.0147 0.0519 0.0519 0.0702 0.0702 0.1115 0.1115 0.1760 0.1760 0.2949 0.2949 2.5709 2.5709 2.8027 2.8027 4.5310 4.5310 5.0903 5.0903 5.2879 5.2879 5.8515 5.8515 8.4310 8.4310 9.0146 9.0146 9.8916 9.8916 10.5967 10.5967 k = 0.2014 0.3488 0.2975 ( 4522 PWs) bands (ev): -34.2835 -34.2835 -15.5597 -15.5597 -15.1918 -15.1918 -15.1734 -15.1734 -2.6358 -2.6358 -2.2554 -2.2554 -0.3064 -0.3064 -0.2975 -0.2975 -0.2739 -0.2739 -0.1810 -0.1810 0.0099 0.0099 0.0503 0.0503 0.0703 0.0703 0.1119 0.1119 0.1736 0.1736 0.2828 0.2828 2.6556 2.6556 2.8603 2.8603 4.6106 4.6106 5.0894 5.0894 5.3596 5.3596 5.8338 5.8338 8.4402 8.4402 9.0522 9.0522 9.8637 9.8637 10.5512 10.5512 k = 0.1944 0.3368 0.2975 ( 4526 PWs) bands (ev): -34.2836 -34.2836 -15.5593 -15.5593 -15.1917 -15.1917 -15.1727 -15.1727 -2.6718 -2.6718 -2.2790 -2.2790 -0.3079 -0.3079 -0.2999 -0.2999 -0.2769 -0.2769 -0.1864 -0.1864 0.0050 0.0050 0.0481 0.0481 0.0707 0.0707 0.1127 0.1127 0.1716 0.1716 0.2711 0.2711 2.7451 2.7451 2.9187 2.9187 4.6901 4.6901 5.0917 5.0917 5.4309 5.4309 5.8169 5.8169 8.4510 8.4510 9.0919 9.0919 9.8379 9.8379 10.5088 10.5088 k = 0.1875 0.3248 0.2975 ( 4526 PWs) bands (ev): -34.2837 -34.2837 -15.5590 -15.5590 -15.1915 -15.1915 -15.1719 -15.1719 -2.7079 -2.7079 -2.3037 -2.3037 -0.3095 -0.3095 -0.3024 -0.3024 -0.2799 -0.2799 -0.1915 -0.1915 0.0002 0.0002 0.0456 0.0456 0.0712 0.0712 0.1140 0.1140 0.1699 0.1699 0.2598 0.2598 2.8381 2.8381 2.9782 2.9782 4.7682 4.7682 5.1001 5.1001 5.4968 5.4968 5.8045 5.8045 8.4629 8.4629 9.1335 9.1335 9.8135 9.8135 10.4631 10.4632 k = 0.1806 0.3127 0.2975 ( 4534 PWs) bands (ev): -34.2837 -34.2837 -15.5586 -15.5586 -15.1913 -15.1913 -15.1712 -15.1712 -2.7440 -2.7440 -2.3292 -2.3292 -0.3112 -0.3112 -0.3049 -0.3049 -0.2827 -0.2827 -0.1963 -0.1963 -0.0045 -0.0045 0.0428 0.0428 0.0718 0.0718 0.1157 0.1157 0.1684 0.1684 0.2491 0.2491 2.9316 2.9316 3.0410 3.0410 4.8429 4.8429 5.1172 5.1172 5.5497 5.5497 5.8037 5.8037 8.4756 8.4756 9.1771 9.1771 9.7898 9.7898 10.4050 10.4050 k = 0.1736 0.3007 0.2975 ( 4522 PWs) bands (ev): -34.2838 -34.2838 -15.5582 -15.5582 -15.1911 -15.1911 -15.1704 -15.1704 -2.7799 -2.7799 -2.3555 -2.3555 -0.3130 -0.3130 -0.3075 -0.3075 -0.2853 -0.2853 -0.2008 -0.2008 -0.0091 -0.0091 0.0401 0.0401 0.0724 0.0724 0.1177 0.1177 0.1670 0.1670 0.2392 0.2392 3.0182 3.0182 3.1137 3.1137 4.9115 4.9115 5.1463 5.1463 5.5799 5.5799 5.8241 5.8241 8.4888 8.4888 9.2226 9.2226 9.7663 9.7663 10.3392 10.3392 k = 0.1667 0.2887 0.2975 ( 4526 PWs) bands (ev): -34.2839 -34.2839 -15.5578 -15.5578 -15.1909 -15.1909 -15.1697 -15.1697 -2.8155 -2.8155 -2.3824 -2.3824 -0.3150 -0.3150 -0.3101 -0.3101 -0.2876 -0.2876 -0.2051 -0.2051 -0.0137 -0.0137 0.0371 0.0371 0.0729 0.0729 0.1200 0.1200 0.1657 0.1657 0.2300 0.2300 3.0887 3.0887 3.2046 3.2046 4.9714 4.9714 5.1901 5.1901 5.5853 5.5853 5.8678 5.8678 8.5024 8.5024 9.2700 9.2700 9.7427 9.7427 10.2703 10.2703 k = 0.1597 0.2766 0.2975 ( 4530 PWs) bands (ev): -34.2839 -34.2839 -15.5574 -15.5574 -15.1908 -15.1908 -15.1689 -15.1689 -2.8507 -2.8507 -2.4095 -2.4095 -0.3173 -0.3173 -0.3126 -0.3126 -0.2896 -0.2896 -0.2090 -0.2090 -0.0181 -0.0181 0.0342 0.0342 0.0731 0.0731 0.1225 0.1225 0.1644 0.1644 0.2217 0.2217 3.1449 3.1449 3.3112 3.3112 5.0226 5.0226 5.2484 5.2484 5.5747 5.5747 5.9265 5.9265 8.5162 8.5162 9.3190 9.3190 9.7190 9.7190 10.2004 10.2004 k = 0.1528 0.2646 0.2975 ( 4534 PWs) bands (ev): -34.2840 -34.2840 -15.5570 -15.5570 -15.1906 -15.1906 -15.1681 -15.1681 -2.8852 -2.8852 -2.4369 -2.4369 -0.3197 -0.3197 -0.3151 -0.3151 -0.2912 -0.2912 -0.2128 -0.2128 -0.0224 -0.0224 0.0314 0.0314 0.0732 0.0732 0.1253 0.1253 0.1630 0.1630 0.2142 0.2142 3.1925 3.1925 3.4272 3.4272 5.0682 5.0682 5.3168 5.3168 5.5575 5.5575 5.9916 5.9916 8.5300 8.5300 9.3695 9.3695 9.6959 9.6959 10.1302 10.1302 k = 0.1458 0.2526 0.2975 ( 4526 PWs) bands (ev): -34.2841 -34.2841 -15.5566 -15.5566 -15.1903 -15.1903 -15.1673 -15.1673 -2.9191 -2.9191 -2.4642 -2.4642 -0.3222 -0.3222 -0.3173 -0.3173 -0.2926 -0.2926 -0.2163 -0.2163 -0.0265 -0.0265 0.0286 0.0286 0.0732 0.0732 0.1282 0.1282 0.1617 0.1617 0.2076 0.2076 3.2341 3.2341 3.5491 3.5491 5.1122 5.1122 5.3883 5.3883 5.5419 5.5419 6.0583 6.0583 8.5434 8.5434 9.4211 9.4211 9.6740 9.6740 10.0608 10.0608 k = 0.1389 0.2406 0.2975 ( 4530 PWs) bands (ev): -34.2842 -34.2842 -15.5562 -15.5562 -15.1901 -15.1901 -15.1666 -15.1666 -2.9521 -2.9521 -2.4913 -2.4913 -0.3250 -0.3250 -0.3194 -0.3194 -0.2937 -0.2937 -0.2197 -0.2197 -0.0305 -0.0305 0.0259 0.0259 0.0729 0.0729 0.1312 0.1312 0.1602 0.1602 0.2019 0.2019 3.2706 3.2706 3.6758 3.6758 5.1564 5.1564 5.4454 5.4454 5.5455 5.5455 6.1242 6.1242 8.5560 8.5560 9.4730 9.4730 9.6545 9.6545 9.9928 9.9928 k = 0.1319 0.2285 0.2975 ( 4530 PWs) bands (ev): -34.2842 -34.2842 -15.5559 -15.5559 -15.1899 -15.1899 -15.1658 -15.1658 -2.9841 -2.9841 -2.5181 -2.5181 -0.3277 -0.3277 -0.3213 -0.3213 -0.2946 -0.2946 -0.2229 -0.2229 -0.0343 -0.0343 0.0232 0.0232 0.0725 0.0725 0.1343 0.1343 0.1588 0.1588 0.1971 0.1971 3.3023 3.3023 3.8062 3.8062 5.2007 5.2007 5.4606 5.4606 5.5971 5.5971 6.1879 6.1879 8.5672 8.5672 9.5237 9.5237 9.6389 9.6389 9.9278 9.9278 k = 0.1250 0.2165 0.2975 ( 4526 PWs) bands (ev): -34.2843 -34.2843 -15.5555 -15.5555 -15.1897 -15.1897 -15.1650 -15.1650 -3.0151 -3.0151 -2.5444 -2.5444 -0.3304 -0.3304 -0.3231 -0.3231 -0.2952 -0.2952 -0.2260 -0.2260 -0.0380 -0.0380 0.0207 0.0207 0.0719 0.0719 0.1375 0.1375 0.1573 0.1573 0.1930 0.1930 3.3295 3.3295 3.9399 3.9399 5.2414 5.2414 5.4603 5.4603 5.6744 5.6744 6.2485 6.2485 8.5759 8.5759 9.5691 9.5691 9.6296 9.6296 9.8686 9.8686 k = 0.1181 0.2045 0.2975 ( 4526 PWs) bands (ev): -34.2844 -34.2844 -15.5551 -15.5551 -15.1896 -15.1896 -15.1642 -15.1642 -3.0450 -3.0450 -2.5701 -2.5701 -0.3330 -0.3330 -0.3248 -0.3248 -0.2956 -0.2956 -0.2290 -0.2290 -0.0415 -0.0415 0.0182 0.0182 0.0712 0.0712 0.1405 0.1405 0.1559 0.1559 0.1896 0.1896 3.3526 3.3526 4.0761 4.0761 5.2713 5.2713 5.4716 5.4716 5.7577 5.7577 6.3054 6.3054 8.5809 8.5809 9.5982 9.5982 9.6310 9.6310 9.8232 9.8232 k = 0.1111 0.1925 0.2975 ( 4518 PWs) bands (ev): -34.2844 -34.2844 -15.5547 -15.5547 -15.1894 -15.1894 -15.1634 -15.1634 -3.0735 -3.0735 -2.5949 -2.5949 -0.3355 -0.3355 -0.3264 -0.3264 -0.2958 -0.2958 -0.2319 -0.2319 -0.0448 -0.0448 0.0159 0.0159 0.0703 0.0703 0.1435 0.1435 0.1547 0.1547 0.1868 0.1868 3.3716 3.3716 4.2142 4.2142 5.2841 5.2841 5.5053 5.5053 5.8424 5.8424 6.3583 6.3583 8.5805 8.5805 9.6021 9.6021 9.6355 9.6355 9.8086 9.8086 k = 0.1042 0.1804 0.2975 ( 4514 PWs) bands (ev): -34.2845 -34.2845 -15.5544 -15.5544 -15.1892 -15.1892 -15.1627 -15.1627 -3.1008 -3.1008 -2.6189 -2.6189 -0.3379 -0.3379 -0.3280 -0.3280 -0.2959 -0.2959 -0.2347 -0.2347 -0.0480 -0.0480 0.0137 0.0137 0.0694 0.0694 0.1461 0.1461 0.1539 0.1539 0.1844 0.1844 3.3871 3.3871 4.3531 4.3531 5.2836 5.2836 5.5593 5.5593 5.9268 5.9268 6.4070 6.4070 8.5732 8.5732 9.5772 9.5772 9.6415 9.6415 9.8298 9.8298 k = 0.0972 0.1684 0.2975 ( 4506 PWs) bands (ev): -34.2845 -34.2845 -15.5540 -15.5540 -15.1890 -15.1890 -15.1619 -15.1619 -3.1266 -3.1266 -2.6419 -2.6419 -0.3401 -0.3401 -0.3294 -0.3294 -0.2957 -0.2957 -0.2375 -0.2375 -0.0509 -0.0509 0.0116 0.0116 0.0685 0.0685 0.1478 0.1478 0.1541 0.1541 0.1825 0.1825 3.3995 3.3995 4.4910 4.4910 5.2786 5.2786 5.6265 5.6265 6.0100 6.0100 6.4515 6.4515 8.5572 8.5572 9.5292 9.5292 9.6620 9.6620 9.8671 9.8671 k = 0.0903 0.1564 0.2975 ( 4502 PWs) bands (ev): -34.2846 -34.2846 -15.5537 -15.5537 -15.1889 -15.1889 -15.1612 -15.1612 -3.1509 -3.1509 -2.6637 -2.6637 -0.3422 -0.3422 -0.3307 -0.3307 -0.2954 -0.2954 -0.2402 -0.2402 -0.0537 -0.0537 0.0096 0.0096 0.0676 0.0676 0.1482 0.1482 0.1556 0.1556 0.1809 0.1809 3.4090 3.4090 4.6251 4.6251 5.2765 5.2765 5.7015 5.7015 6.0914 6.0914 6.4920 6.4920 8.5310 8.5310 9.4733 9.4733 9.6944 9.6944 9.9035 9.9035 k = 0.0833 0.1443 0.2975 ( 4506 PWs) bands (ev): -34.2847 -34.2847 -15.5534 -15.5534 -15.1888 -15.1888 -15.1605 -15.1605 -3.1737 -3.1737 -2.6843 -2.6843 -0.3441 -0.3441 -0.3319 -0.3319 -0.2949 -0.2949 -0.2428 -0.2428 -0.0564 -0.0564 0.0077 0.0077 0.0666 0.0666 0.1478 0.1478 0.1579 0.1579 0.1796 0.1796 3.4162 3.4162 4.7497 4.7497 5.2848 5.2848 5.7812 5.7812 6.1702 6.1702 6.5286 6.5286 8.4932 8.4932 9.4152 9.4152 9.7372 9.7372 9.9270 9.9270 k = 0.0764 0.1323 0.2975 ( 4502 PWs) bands (ev): -34.2847 -34.2847 -15.5531 -15.5531 -15.1886 -15.1886 -15.1599 -15.1599 -3.1949 -3.1949 -2.7036 -2.7036 -0.3459 -0.3459 -0.3331 -0.3331 -0.2943 -0.2943 -0.2454 -0.2454 -0.0588 -0.0588 0.0060 0.0060 0.0657 0.0657 0.1473 0.1473 0.1603 0.1603 0.1785 0.1785 3.4214 3.4214 4.8555 4.8555 5.3141 5.3141 5.8636 5.8636 6.2458 6.2458 6.5618 6.5618 8.4430 8.4430 9.3572 9.3572 9.7890 9.7890 9.9274 9.9274 k = 0.0694 0.1203 0.2975 ( 4502 PWs) bands (ev): -34.2848 -34.2848 -15.5528 -15.5528 -15.1885 -15.1885 -15.1593 -15.1593 -3.2144 -3.2144 -2.7214 -2.7214 -0.3475 -0.3475 -0.3341 -0.3341 -0.2935 -0.2935 -0.2480 -0.2480 -0.0610 -0.0610 0.0044 0.0044 0.0648 0.0648 0.1467 0.1467 0.1627 0.1627 0.1775 0.1775 3.4249 3.4249 4.9308 4.9308 5.3760 5.3760 5.9470 5.9470 6.3175 6.3175 6.5923 6.5923 8.3796 8.3796 9.3002 9.3002 9.8449 9.8449 9.9036 9.9036 k = 0.0625 0.1083 0.2975 ( 4502 PWs) bands (ev): -34.2848 -34.2848 -15.5526 -15.5526 -15.1884 -15.1884 -15.1587 -15.1587 -3.2322 -3.2322 -2.7378 -2.7378 -0.3490 -0.3490 -0.3351 -0.3351 -0.2926 -0.2926 -0.2505 -0.2505 -0.0631 -0.0631 0.0029 0.0029 0.0640 0.0640 0.1462 0.1462 0.1650 0.1650 0.1767 0.1767 3.4272 3.4272 4.9731 4.9731 5.4729 5.4729 6.0299 6.0299 6.3845 6.3845 6.6206 6.6206 8.3028 8.3028 9.2450 9.2450 9.8404 9.8404 9.8741 9.8741 k = 0.0556 0.0962 0.2975 ( 4500 PWs) bands (ev): -34.2848 -34.2848 -15.5524 -15.5524 -15.1883 -15.1883 -15.1582 -15.1582 -3.2482 -3.2482 -2.7526 -2.7526 -0.3503 -0.3503 -0.3359 -0.3359 -0.2916 -0.2916 -0.2529 -0.2529 -0.0649 -0.0649 0.0016 0.0016 0.0633 0.0633 0.1458 0.1458 0.1671 0.1671 0.1761 0.1761 3.4284 3.4284 4.9917 4.9917 5.5949 5.5949 6.1108 6.1108 6.4459 6.4459 6.6478 6.6478 8.2130 8.2130 9.1921 9.1921 9.7736 9.7736 9.8040 9.8040 k = 0.0486 0.0842 0.2975 ( 4512 PWs) bands (ev): -34.2849 -34.2849 -15.5522 -15.5522 -15.1883 -15.1883 -15.1577 -15.1577 -3.2624 -3.2624 -2.7659 -2.7659 -0.3515 -0.3515 -0.3367 -0.3367 -0.2905 -0.2905 -0.2552 -0.2552 -0.0665 -0.0665 0.0004 0.0004 0.0626 0.0626 0.1454 0.1454 0.1689 0.1689 0.1757 0.1757 3.4289 3.4289 4.9974 4.9974 5.7301 5.7301 6.1880 6.1880 6.5008 6.5008 6.6748 6.6748 8.1110 8.1110 9.1421 9.1421 9.7036 9.7036 9.7398 9.7398 k = 0.0417 0.0722 0.2975 ( 4516 PWs) bands (ev): -34.2849 -34.2849 -15.5520 -15.5520 -15.1882 -15.1882 -15.1573 -15.1573 -3.2748 -3.2748 -2.7774 -2.7774 -0.3525 -0.3525 -0.3374 -0.3374 -0.2894 -0.2894 -0.2575 -0.2575 -0.0679 -0.0679 -0.0006 -0.0006 0.0620 0.0620 0.1451 0.1451 0.1703 0.1703 0.1754 0.1754 3.4290 3.4290 4.9969 4.9969 5.8702 5.8702 6.2599 6.2599 6.5490 6.5490 6.7023 6.7023 7.9986 7.9986 9.0958 9.0958 9.6420 9.6420 9.6787 9.6787 k = 0.0347 0.0601 0.2975 ( 4508 PWs) bands (ev): -34.2849 -34.2849 -15.5519 -15.5519 -15.1882 -15.1882 -15.1570 -15.1570 -3.2854 -3.2854 -2.7873 -2.7873 -0.3534 -0.3534 -0.3379 -0.3379 -0.2882 -0.2882 -0.2595 -0.2595 -0.0691 -0.0691 -0.0014 -0.0014 0.0615 0.0615 0.1449 0.1449 0.1714 0.1714 0.1755 0.1755 3.4287 3.4287 4.9938 4.9938 6.0086 6.0086 6.3247 6.3247 6.5916 6.5916 6.7303 6.7303 7.8784 7.8784 9.0539 9.0539 9.5907 9.5907 9.6225 9.6225 k = 0.0278 0.0481 0.2975 ( 4506 PWs) bands (ev): -34.2850 -34.2850 -15.5518 -15.5518 -15.1881 -15.1881 -15.1567 -15.1567 -3.2940 -3.2940 -2.7954 -2.7954 -0.3541 -0.3541 -0.3384 -0.3384 -0.2871 -0.2871 -0.2614 -0.2614 -0.0701 -0.0701 -0.0021 -0.0021 0.0611 0.0611 0.1447 0.1447 0.1719 0.1719 0.1759 0.1759 3.4282 3.4282 4.9898 4.9898 6.1388 6.1388 6.3807 6.3807 6.6318 6.6318 6.7577 6.7577 7.7540 7.7540 9.0175 9.0175 9.5496 9.5496 9.5734 9.5734 k = 0.0208 0.0361 0.2975 ( 4506 PWs) bands (ev): -34.2850 -34.2850 -15.5517 -15.5517 -15.1881 -15.1881 -15.1564 -15.1564 -3.3008 -3.3008 -2.8018 -2.8018 -0.3546 -0.3546 -0.3387 -0.3387 -0.2860 -0.2860 -0.2631 -0.2631 -0.0709 -0.0709 -0.0026 -0.0026 0.0608 0.0608 0.1446 0.1446 0.1721 0.1721 0.1764 0.1764 3.4277 3.4277 4.9860 4.9860 6.2518 6.2518 6.4258 6.4258 6.6750 6.6750 6.7821 6.7821 7.6308 7.6308 8.9875 8.9875 9.5184 9.5184 9.5332 9.5332 k = 0.0139 0.0241 0.2975 ( 4514 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1881 -15.1881 -15.1563 -15.1563 -3.3056 -3.3056 -2.8063 -2.8063 -0.3550 -0.3550 -0.3390 -0.3390 -0.2851 -0.2851 -0.2644 -0.2644 -0.0715 -0.0715 -0.0030 -0.0030 0.0606 0.0606 0.1445 0.1445 0.1722 0.1722 0.1769 0.1769 3.4273 3.4273 4.9830 4.9830 6.3375 6.3375 6.4584 6.4584 6.7251 6.7251 6.8015 6.8015 7.5179 7.5179 8.9651 8.9651 9.4965 9.4965 9.5036 9.5036 k = 0.0069 0.0120 0.2975 ( 4518 PWs) bands (ev): -34.2850 -34.2850 -15.5516 -15.5516 -15.1881 -15.1881 -15.1562 -15.1562 -3.3085 -3.3085 -2.8090 -2.8090 -0.3553 -0.3553 -0.3391 -0.3391 -0.2845 -0.2845 -0.2652 -0.2652 -0.0718 -0.0718 -0.0033 -0.0033 0.0604 0.0604 0.1444 0.1444 0.1722 0.1722 0.1772 0.1772 3.4270 3.4270 4.9810 4.9810 6.3891 6.3891 6.4773 6.4773 6.7738 6.7738 6.8138 6.8138 7.4316 7.4316 8.9512 8.9512 9.4829 9.4829 9.4860 9.4860 k = 0.0000 0.0000 0.2975 ( 4506 PWs) bands (ev): -34.2850 -34.2850 -15.5515 -15.5515 -15.1881 -15.1881 -15.1561 -15.1561 -3.3095 -3.3095 -2.8099 -2.8099 -0.3553 -0.3553 -0.3391 -0.3391 -0.2843 -0.2843 -0.2655 -0.2655 -0.0719 -0.0719 -0.0033 -0.0033 0.0604 0.0604 0.1444 0.1444 0.1722 0.1722 0.1773 0.1773 3.4269 3.4269 4.9804 4.9804 6.4060 6.4060 6.4834 6.4834 6.7958 6.7958 6.8181 6.8181 7.3975 7.3975 8.9465 8.9465 9.4777 9.4777 9.4807 9.4807 k = 0.5000 0.2887 0.2975 ( 4544 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4087 -2.4087 -2.0971 -2.0971 -0.2988 -0.2988 -0.2930 -0.2930 -0.2327 -0.2327 -0.1283 -0.1283 0.0227 0.0227 0.0353 0.0353 0.0835 0.0835 0.1420 0.1420 0.2827 0.2827 0.2946 0.2946 1.8662 1.8662 2.1429 2.1429 4.7807 4.7807 5.0466 5.0466 5.9293 5.9293 6.2999 6.2999 8.1919 8.1919 8.2521 8.2521 8.7245 8.7245 9.0767 9.0767 k = 0.5000 0.2887 0.2840 ( 4540 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4087 -2.4087 -2.0972 -2.0972 -0.2988 -0.2988 -0.2930 -0.2930 -0.2326 -0.2326 -0.1282 -0.1282 0.0228 0.0228 0.0354 0.0354 0.0835 0.0835 0.1420 0.1420 0.2826 0.2826 0.2946 0.2946 1.8651 1.8651 2.1464 2.1464 4.7781 4.7781 5.0453 5.0453 5.9268 5.9268 6.2966 6.2966 8.1721 8.1721 8.2705 8.2705 8.7242 8.7242 9.0948 9.0948 k = 0.5000 0.2887 0.2704 ( 4538 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1743 -15.1743 -2.4089 -2.4089 -2.0975 -2.0975 -0.2988 -0.2988 -0.2928 -0.2928 -0.2325 -0.2325 -0.1282 -0.1282 0.0229 0.0229 0.0354 0.0354 0.0836 0.0836 0.1420 0.1420 0.2824 0.2824 0.2948 0.2948 1.8619 1.8619 2.1566 2.1566 4.7701 4.7701 5.0419 5.0419 5.9190 5.9190 6.2870 6.2870 8.1354 8.1354 8.3031 8.3031 8.7270 8.7270 9.1450 9.1450 k = 0.5000 0.2887 0.2569 ( 4530 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1743 -15.1743 -2.4092 -2.4092 -2.0980 -2.0980 -0.2988 -0.2988 -0.2925 -0.2925 -0.2324 -0.2324 -0.1282 -0.1282 0.0231 0.0231 0.0356 0.0356 0.0837 0.0837 0.1421 0.1421 0.2820 0.2820 0.2950 0.2950 1.8573 1.8573 2.1728 2.1728 4.7566 4.7566 5.0370 5.0370 5.9056 5.9056 6.2719 6.2719 8.0940 8.0940 8.3381 8.3381 8.7391 8.7391 9.2194 9.2194 k = 0.5000 0.2887 0.2434 ( 4536 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1743 -15.1743 -2.4096 -2.4096 -2.0987 -2.0987 -0.2988 -0.2988 -0.2922 -0.2922 -0.2322 -0.2322 -0.1281 -0.1281 0.0233 0.0233 0.0358 0.0358 0.0839 0.0839 0.1421 0.1421 0.2815 0.2815 0.2952 0.2952 1.8519 1.8519 2.1943 2.1943 4.7372 4.7372 5.0313 5.0313 5.8861 5.8861 6.2524 6.2524 8.0501 8.0501 8.3751 8.3751 8.7646 8.7646 9.3109 9.3109 k = 0.5000 0.2887 0.2299 ( 4528 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1743 -15.1743 -2.4102 -2.4102 -2.0996 -2.0996 -0.2988 -0.2988 -0.2918 -0.2918 -0.2319 -0.2319 -0.1280 -0.1280 0.0237 0.0237 0.0361 0.0361 0.0842 0.0842 0.1422 0.1422 0.2810 0.2810 0.2954 0.2954 1.8466 1.8466 2.2200 2.2200 4.7122 4.7122 5.0260 5.0260 5.8597 5.8597 6.2301 6.2301 8.0049 8.0049 8.4150 8.4150 8.8038 8.8038 9.4146 9.4146 k = 0.5000 0.2887 0.2164 ( 4524 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1955 -15.1955 -15.1743 -15.1743 -2.4108 -2.4108 -2.1006 -2.1006 -0.2988 -0.2988 -0.2914 -0.2914 -0.2316 -0.2316 -0.1279 -0.1279 0.0241 0.0241 0.0364 0.0364 0.0845 0.0845 0.1423 0.1423 0.2804 0.2804 0.2956 0.2956 1.8418 1.8418 2.2492 2.2492 4.6816 4.6816 5.0214 5.0214 5.8261 5.8261 6.2066 6.2066 7.9594 7.9594 8.4594 8.4594 8.8551 8.8551 9.5269 9.5269 k = 0.5000 0.2887 0.2028 ( 4528 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1743 -15.1743 -2.4115 -2.4115 -2.1018 -2.1018 -0.2988 -0.2988 -0.2909 -0.2909 -0.2313 -0.2313 -0.1278 -0.1278 0.0245 0.0245 0.0366 0.0366 0.0847 0.0847 0.1423 0.1423 0.2798 0.2798 0.2958 0.2958 1.8378 1.8378 2.2811 2.2811 4.6464 4.6464 5.0181 5.0181 5.7851 5.7851 6.1832 6.1832 7.9146 7.9146 8.5093 8.5093 8.9161 8.9161 9.6453 9.6453 k = 0.5000 0.2887 0.1893 ( 4526 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1955 -15.1955 -15.1743 -15.1743 -2.4123 -2.4123 -2.1031 -2.1031 -0.2988 -0.2988 -0.2904 -0.2904 -0.2309 -0.2309 -0.1277 -0.1277 0.0251 0.0251 0.0369 0.0369 0.0851 0.0851 0.1424 0.1424 0.2792 0.2792 0.2959 0.2959 1.8351 1.8351 2.3153 2.3153 4.6073 4.6073 5.0162 5.0162 5.7372 5.7372 6.1609 6.1609 7.8713 7.8713 8.5650 8.5650 8.9843 8.9843 9.7675 9.7675 k = 0.5000 0.2887 0.1758 ( 4524 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1955 -15.1955 -15.1743 -15.1743 -2.4131 -2.4131 -2.1044 -2.1044 -0.2987 -0.2987 -0.2899 -0.2899 -0.2305 -0.2305 -0.1276 -0.1276 0.0256 0.0256 0.0372 0.0372 0.0855 0.0855 0.1425 0.1425 0.2786 0.2786 0.2959 0.2959 1.8336 1.8336 2.3510 2.3510 4.5655 4.5655 5.0155 5.0155 5.6833 5.6833 6.1403 6.1403 7.8301 7.8301 8.6261 8.6261 9.0576 9.0576 9.8916 9.8916 k = 0.5000 0.2887 0.1623 ( 4524 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1955 -15.1955 -15.1743 -15.1743 -2.4139 -2.4139 -2.1059 -2.1059 -0.2986 -0.2986 -0.2894 -0.2894 -0.2301 -0.2301 -0.1275 -0.1275 0.0263 0.0263 0.0374 0.0374 0.0859 0.0859 0.1426 0.1426 0.2780 0.2780 0.2959 0.2959 1.8334 1.8334 2.3877 2.3877 4.5222 4.5222 5.0159 5.0159 5.6248 5.6248 6.1214 6.1214 7.7914 7.7914 8.6922 8.6922 9.1340 9.1340 10.0155 10.0155 k = 0.5000 0.2887 0.1487 ( 4522 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1955 -15.1955 -15.1743 -15.1743 -2.4148 -2.4148 -2.1073 -2.1073 -0.2985 -0.2985 -0.2889 -0.2889 -0.2297 -0.2297 -0.1274 -0.1274 0.0269 0.0269 0.0376 0.0376 0.0864 0.0864 0.1426 0.1426 0.2775 0.2775 0.2957 0.2957 1.8344 1.8344 2.4249 2.4249 4.4784 4.4784 5.0171 5.0171 5.5632 5.5632 6.1043 6.1043 7.7555 7.7555 8.7625 8.7625 9.2115 9.2115 10.1374 10.1374 k = 0.5000 0.2887 0.1352 ( 4526 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1743 -15.1743 -2.4157 -2.4157 -2.1088 -2.1088 -0.2984 -0.2984 -0.2884 -0.2884 -0.2292 -0.2292 -0.1273 -0.1273 0.0277 0.0277 0.0378 0.0378 0.0868 0.0868 0.1427 0.1427 0.2770 0.2770 0.2955 0.2955 1.8365 1.8365 2.4620 2.4620 4.4353 4.4353 5.0191 5.0191 5.5002 5.5002 6.0888 6.0888 7.7224 7.7224 8.8360 8.8360 9.2880 9.2880 10.2552 10.2552 k = 0.5000 0.2887 0.1217 ( 4534 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4165 -2.4165 -2.1102 -2.1102 -0.2983 -0.2983 -0.2880 -0.2880 -0.2288 -0.2288 -0.1272 -0.1272 0.0284 0.0284 0.0379 0.0379 0.0872 0.0872 0.1428 0.1428 0.2765 0.2765 0.2953 0.2953 1.8396 1.8396 2.4984 2.4984 4.3936 4.3936 5.0215 5.0215 5.4373 5.4373 6.0748 6.0748 7.6925 7.6925 8.9119 8.9119 9.3614 9.3614 10.3672 10.3672 k = 0.5000 0.2887 0.1082 ( 4536 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4173 -2.4173 -2.1116 -2.1116 -0.2982 -0.2982 -0.2876 -0.2876 -0.2284 -0.2284 -0.1271 -0.1271 0.0291 0.0291 0.0379 0.0379 0.0877 0.0877 0.1428 0.1428 0.2761 0.2761 0.2949 0.2949 1.8434 1.8434 2.5335 2.5335 4.3544 4.3544 5.0242 5.0242 5.3759 5.3759 6.0622 6.0622 7.6656 7.6656 8.9892 8.9892 9.4293 9.4293 10.4716 10.4716 k = 0.5000 0.2887 0.0947 ( 4532 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4181 -2.4181 -2.1129 -2.1129 -0.2981 -0.2981 -0.2872 -0.2872 -0.2280 -0.2280 -0.1270 -0.1270 0.0299 0.0299 0.0379 0.0379 0.0881 0.0881 0.1429 0.1429 0.2758 0.2758 0.2946 0.2946 1.8476 1.8476 2.5667 2.5667 4.3183 4.3183 5.0271 5.0271 5.3176 5.3176 6.0509 6.0509 7.6419 7.6419 9.0669 9.0669 9.4892 9.4892 10.5669 10.5669 k = 0.5000 0.2887 0.0811 ( 4522 PWs) bands (ev): -34.2832 -34.2832 -15.5619 -15.5619 -15.1955 -15.1955 -15.1743 -15.1743 -2.4188 -2.4188 -2.1140 -2.1140 -0.2980 -0.2980 -0.2869 -0.2869 -0.2277 -0.2277 -0.1269 -0.1269 0.0307 0.0307 0.0378 0.0378 0.0885 0.0885 0.1429 0.1429 0.2755 0.2755 0.2943 0.2943 1.8520 1.8520 2.5972 2.5972 4.2860 4.2860 5.0300 5.0300 5.2637 5.2637 6.0411 6.0411 7.6214 7.6214 9.1440 9.1440 9.5387 9.5387 10.6520 10.6520 k = 0.5000 0.2887 0.0676 ( 4528 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1955 -15.1955 -15.1743 -15.1743 -2.4194 -2.4194 -2.1150 -2.1150 -0.2979 -0.2979 -0.2866 -0.2866 -0.2274 -0.2274 -0.1268 -0.1268 0.0315 0.0315 0.0377 0.0377 0.0888 0.0888 0.1429 0.1429 0.2753 0.2753 0.2940 0.2940 1.8563 1.8563 2.6244 2.6244 4.2580 4.2580 5.0327 5.0327 5.2152 5.2152 6.0326 6.0326 7.6040 7.6040 9.2194 9.2194 9.5756 9.5756 10.7262 10.7262 k = 0.5000 0.2887 0.0541 ( 4528 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1955 -15.1955 -15.1743 -15.1743 -2.4199 -2.4199 -2.1159 -2.1159 -0.2978 -0.2978 -0.2864 -0.2864 -0.2271 -0.2271 -0.1267 -0.1267 0.0322 0.0322 0.0374 0.0374 0.0891 0.0891 0.1430 0.1430 0.2751 0.2751 0.2937 0.2937 1.8603 1.8603 2.6477 2.6477 4.2346 4.2346 5.0354 5.0354 5.1736 5.1736 6.0255 6.0255 7.5898 7.5898 9.2918 9.2918 9.5983 9.5983 10.7886 10.7886 k = 0.5000 0.2887 0.0406 ( 4540 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4203 -2.4203 -2.1166 -2.1166 -0.2978 -0.2978 -0.2862 -0.2862 -0.2269 -0.2269 -0.1267 -0.1267 0.0328 0.0328 0.0371 0.0371 0.0893 0.0893 0.1429 0.1429 0.2749 0.2749 0.2934 0.2934 1.8637 1.8637 2.6665 2.6665 4.2162 4.2162 5.0378 5.0378 5.1396 5.1396 6.0200 6.0200 7.5787 7.5787 9.3595 9.3595 9.6062 9.6062 10.8382 10.8382 k = 0.5000 0.2887 0.0270 ( 4542 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4206 -2.4206 -2.1171 -2.1171 -0.2977 -0.2977 -0.2861 -0.2861 -0.2268 -0.2268 -0.1267 -0.1267 0.0334 0.0334 0.0368 0.0368 0.0895 0.0895 0.1430 0.1430 0.2748 0.2748 0.2932 0.2932 1.8663 1.8663 2.6804 2.6804 4.2029 4.2029 5.0399 5.0399 5.1143 5.1143 6.0160 6.0160 7.5708 7.5708 9.4203 9.4203 9.6001 9.6001 10.8740 10.8740 k = 0.5000 0.2887 0.0135 ( 4550 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4208 -2.4208 -2.1174 -2.1174 -0.2977 -0.2977 -0.2860 -0.2860 -0.2267 -0.2267 -0.1267 -0.1267 0.0338 0.0338 0.0366 0.0366 0.0896 0.0896 0.1429 0.1429 0.2748 0.2748 0.2931 0.2931 1.8679 1.8679 2.6888 2.6888 4.1950 4.1950 5.0416 5.0416 5.0984 5.0984 6.0135 6.0135 7.5661 7.5661 9.4700 9.4700 9.5836 9.5836 10.8951 10.8958 k = 0.5000 0.2887-0.0000 ( 4554 PWs) bands (ev): -34.2832 -34.2832 -15.5620 -15.5620 -15.1956 -15.1956 -15.1744 -15.1744 -2.4208 -2.4208 -2.1175 -2.1175 -0.2977 -0.2977 -0.2860 -0.2860 -0.2267 -0.2267 -0.1267 -0.1267 0.0339 0.0339 0.0365 0.0365 0.0896 0.0896 0.1429 0.1429 0.2748 0.2748 0.2930 0.2930 1.8684 1.8684 2.6917 2.6917 4.1923 4.1923 5.0423 5.0423 5.0930 5.0930 6.0127 6.0127 7.5645 7.5645 9.4935 9.4935 9.5712 9.5712 10.9020 10.9024 k = 0.3333 0.5774-0.0000 ( 4551 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1695 -2.1695 -2.1559 -2.1559 -0.2947 -0.2947 -0.2703 -0.2703 -0.2463 -0.2463 -0.0945 -0.0945 0.0384 0.0384 0.0779 0.0779 0.0864 0.0864 0.1139 0.1139 0.2914 0.2914 0.3966 0.3966 2.2910 2.2910 2.4324 2.4324 3.2326 3.2326 4.7955 4.7955 4.8351 4.8351 5.0783 5.0783 9.2451 9.2451 9.7134 9.7134 9.7719 9.7719 10.5146 10.5146 k = 0.3333 0.5774 0.0135 ( 4557 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1825 -15.1825 -2.1694 -2.1694 -2.1558 -2.1558 -0.2947 -0.2947 -0.2703 -0.2703 -0.2464 -0.2464 -0.0945 -0.0945 0.0384 0.0384 0.0779 0.0779 0.0864 0.0864 0.1139 0.1139 0.2914 0.2914 0.3966 0.3966 2.2896 2.2896 2.4310 2.4310 3.2339 3.2339 4.7976 4.7976 4.8386 4.8386 5.0768 5.0768 9.2503 9.2503 9.7073 9.7073 9.7655 9.7655 10.5180 10.5180 k = 0.3333 0.5774 0.0270 ( 4551 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1825 -15.1825 -2.1692 -2.1692 -2.1556 -2.1556 -0.2948 -0.2948 -0.2703 -0.2703 -0.2464 -0.2464 -0.0946 -0.0946 0.0384 0.0384 0.0778 0.0778 0.0863 0.0863 0.1139 0.1139 0.2914 0.2914 0.3967 0.3967 2.2857 2.2857 2.4266 2.4266 3.2378 3.2378 4.8034 4.8034 4.8488 4.8488 5.0729 5.0729 9.2655 9.2655 9.6892 9.6892 9.7465 9.7465 10.5280 10.5280 k = 0.3333 0.5774 0.0406 ( 4536 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1910 -15.1910 -15.1824 -15.1824 -2.1688 -2.1688 -2.1553 -2.1553 -0.2948 -0.2948 -0.2702 -0.2702 -0.2465 -0.2465 -0.0948 -0.0948 0.0383 0.0383 0.0778 0.0778 0.0862 0.0862 0.1139 0.1139 0.2914 0.2914 0.3969 0.3969 2.2792 2.2792 2.4196 2.4196 3.2444 3.2444 4.8116 4.8116 4.8656 4.8656 5.0677 5.0677 9.2907 9.2907 9.6600 9.6600 9.7160 9.7160 10.5434 10.5436 k = 0.3333 0.5774 0.0541 ( 4536 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1910 -15.1910 -15.1824 -15.1824 -2.1684 -2.1684 -2.1548 -2.1548 -0.2948 -0.2948 -0.2701 -0.2701 -0.2466 -0.2466 -0.0950 -0.0950 0.0382 0.0382 0.0776 0.0776 0.0860 0.0860 0.1139 0.1139 0.2914 0.2914 0.3970 0.3970 2.2705 2.2705 2.4100 2.4100 3.2535 3.2535 4.8199 4.8199 4.8888 4.8888 5.0636 5.0636 9.3254 9.3254 9.6210 9.6210 9.6753 9.6753 10.5434 10.5435 k = 0.3333 0.5774 0.0676 ( 4554 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1825 -15.1825 -2.1678 -2.1678 -2.1542 -2.1542 -0.2949 -0.2949 -0.2701 -0.2701 -0.2468 -0.2468 -0.0954 -0.0954 0.0380 0.0380 0.0774 0.0774 0.0856 0.0856 0.1139 0.1139 0.2914 0.2914 0.3972 0.3972 2.2597 2.2597 2.3982 2.3982 3.2651 3.2651 4.8247 4.8247 4.9179 4.9179 5.0640 5.0640 9.3691 9.3691 9.5734 9.5734 9.6258 9.6258 10.5489 10.5489 k = 0.3333 0.5774 0.0811 ( 4548 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1671 -2.1671 -2.1535 -2.1535 -0.2950 -0.2950 -0.2700 -0.2700 -0.2470 -0.2470 -0.0957 -0.0957 0.0378 0.0378 0.0772 0.0772 0.0853 0.0853 0.1139 0.1139 0.2914 0.2914 0.3975 0.3975 2.2471 2.2471 2.3846 2.3846 3.2791 3.2791 4.8220 4.8220 4.9523 4.9523 5.0730 5.0730 9.4208 9.4208 9.5188 9.5188 9.5692 9.5692 10.5558 10.5559 k = 0.3333 0.5774 0.0947 ( 4545 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1910 -15.1910 -15.1824 -15.1824 -2.1664 -2.1664 -2.1528 -2.1528 -0.2951 -0.2951 -0.2699 -0.2699 -0.2472 -0.2472 -0.0961 -0.0961 0.0376 0.0376 0.0770 0.0770 0.0850 0.0850 0.1139 0.1139 0.2915 0.2915 0.3978 0.3978 2.2332 2.2332 2.3694 2.3694 3.2955 3.2955 4.8095 4.8095 4.9917 4.9917 5.0929 5.0929 9.4581 9.4581 9.4746 9.4746 9.5119 9.5119 10.5643 10.5643 k = 0.3333 0.5774 0.1082 ( 4551 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1655 -2.1655 -2.1519 -2.1519 -0.2953 -0.2953 -0.2698 -0.2698 -0.2475 -0.2475 -0.0966 -0.0966 0.0373 0.0373 0.0768 0.0768 0.0846 0.0846 0.1139 0.1139 0.2915 0.2915 0.3981 0.3981 2.2181 2.2181 2.3532 2.3532 3.3140 3.3140 4.7873 4.7873 5.0352 5.0352 5.1232 5.1232 9.3928 9.3928 9.4337 9.4337 9.5511 9.5511 10.5745 10.5745 k = 0.3333 0.5774 0.1217 ( 4548 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1646 -2.1646 -2.1510 -2.1510 -0.2954 -0.2954 -0.2697 -0.2697 -0.2478 -0.2478 -0.0971 -0.0971 0.0370 0.0370 0.0765 0.0765 0.0842 0.0842 0.1138 0.1138 0.2915 0.2915 0.3984 0.3984 2.2024 2.2024 2.3362 2.3362 3.3347 3.3347 4.7573 4.7573 5.0821 5.0821 5.1619 5.1619 9.3238 9.3238 9.3626 9.3626 9.6225 9.6225 10.5869 10.5869 k = 0.3333 0.5774 0.1352 ( 4548 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1637 -2.1637 -2.1500 -2.1500 -0.2955 -0.2955 -0.2696 -0.2696 -0.2481 -0.2481 -0.0976 -0.0976 0.0367 0.0367 0.0763 0.0763 0.0837 0.0837 0.1138 0.1138 0.2915 0.2915 0.3988 0.3988 2.1864 2.1864 2.3189 2.3189 3.3572 3.3572 4.7217 4.7217 5.1318 5.1318 5.2067 5.2067 9.2524 9.2524 9.2880 9.2880 9.6991 9.6991 10.6019 10.6019 k = 0.3333 0.5774 0.1487 ( 4548 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1627 -2.1627 -2.1490 -2.1490 -0.2956 -0.2956 -0.2695 -0.2695 -0.2483 -0.2483 -0.0981 -0.0981 0.0364 0.0364 0.0760 0.0760 0.0833 0.0833 0.1138 0.1138 0.2915 0.2915 0.3991 0.3991 2.1703 2.1703 2.3017 2.3017 3.3815 3.3815 4.6823 4.6823 5.1832 5.1832 5.2557 5.2557 9.1796 9.1796 9.2118 9.2118 9.7788 9.7788 10.6202 10.6202 k = 0.3333 0.5774 0.1623 ( 4554 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1618 -2.1618 -2.1481 -2.1481 -0.2957 -0.2957 -0.2694 -0.2694 -0.2487 -0.2487 -0.0987 -0.0987 0.0361 0.0361 0.0758 0.0758 0.0828 0.0828 0.1138 0.1138 0.2915 0.2915 0.3995 0.3995 2.1546 2.1546 2.2848 2.2848 3.4071 3.4071 4.6403 4.6403 5.2356 5.2356 5.3071 5.3071 9.1066 9.1066 9.1352 9.1352 9.8596 9.8596 10.6428 10.6428 k = 0.3333 0.5774 0.1758 ( 4560 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1825 -15.1825 -2.1608 -2.1608 -2.1471 -2.1471 -0.2959 -0.2959 -0.2693 -0.2693 -0.2490 -0.2490 -0.0992 -0.0992 0.0358 0.0358 0.0755 0.0755 0.0824 0.0824 0.1138 0.1138 0.2916 0.2916 0.3998 0.3998 2.1395 2.1395 2.2687 2.2687 3.4338 3.4338 4.5971 4.5971 5.2878 5.2878 5.3595 5.3595 9.0347 9.0347 9.0597 9.0597 9.9393 9.9393 10.6709 10.6709 k = 0.3333 0.5774 0.1893 ( 4554 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1825 -15.1825 -2.1599 -2.1599 -2.1462 -2.1462 -0.2960 -0.2960 -0.2692 -0.2692 -0.2492 -0.2492 -0.0997 -0.0997 0.0355 0.0355 0.0753 0.0753 0.0820 0.0820 0.1138 0.1138 0.2916 0.2916 0.4001 0.4001 2.1252 2.1252 2.2535 2.2535 3.4612 3.4612 4.5537 4.5537 5.3390 5.3390 5.4114 5.4114 8.9651 8.9651 8.9866 8.9866 10.0154 10.0154 10.7061 10.7061 k = 0.3333 0.5774 0.2028 ( 4560 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1825 -15.1825 -2.1591 -2.1591 -2.1453 -2.1453 -0.2961 -0.2961 -0.2691 -0.2691 -0.2495 -0.2495 -0.1002 -0.1002 0.0352 0.0352 0.0751 0.0751 0.0815 0.0815 0.1137 0.1137 0.2916 0.2916 0.4005 0.4005 2.1121 2.1121 2.2395 2.2395 3.4888 3.4888 4.5110 4.5110 5.3880 5.3880 5.4617 5.4617 8.8993 8.8993 8.9173 8.9173 10.0849 10.0849 10.7495 10.7495 k = 0.3333 0.5774 0.2164 ( 4560 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1825 -15.1825 -2.1583 -2.1583 -2.1445 -2.1445 -0.2962 -0.2962 -0.2690 -0.2690 -0.2497 -0.2497 -0.1006 -0.1006 0.0349 0.0349 0.0749 0.0749 0.0812 0.0812 0.1137 0.1137 0.2916 0.2916 0.4008 0.4008 2.1003 2.1003 2.2270 2.2270 3.5158 3.5158 4.4701 4.4701 5.4337 5.4337 5.5088 5.5088 8.8384 8.8384 8.8532 8.8532 10.1455 10.1455 10.8018 10.8018 k = 0.3333 0.5774 0.2299 ( 4566 PWs) bands (ev): -34.2830 -34.2830 -15.5631 -15.5631 -15.1911 -15.1911 -15.1825 -15.1825 -2.1576 -2.1576 -2.1438 -2.1438 -0.2963 -0.2963 -0.2689 -0.2689 -0.2500 -0.2500 -0.1010 -0.1010 0.0347 0.0347 0.0747 0.0747 0.0808 0.0808 0.1137 0.1137 0.2917 0.2917 0.4010 0.4010 2.0900 2.0900 2.2161 2.2161 3.5416 3.5416 4.4321 4.4321 5.4750 5.4750 5.5517 5.5517 8.7840 8.7840 8.7958 8.7958 10.1955 10.1955 10.8579 10.8592 k = 0.3333 0.5774 0.2434 ( 4566 PWs) bands (ev): -34.2830 -34.2830 -15.5631 -15.5631 -15.1911 -15.1911 -15.1825 -15.1825 -2.1570 -2.1570 -2.1432 -2.1432 -0.2964 -0.2964 -0.2689 -0.2689 -0.2502 -0.2502 -0.1013 -0.1013 0.0345 0.0345 0.0745 0.0745 0.0805 0.0805 0.1137 0.1137 0.2917 0.2917 0.4012 0.4012 2.0814 2.0814 2.2070 2.2070 3.5652 3.5652 4.3983 4.3983 5.5107 5.5107 5.5888 5.5888 8.7373 8.7373 8.7464 8.7464 10.2346 10.2346 10.8667 10.8702 k = 0.3333 0.5774 0.2569 ( 4566 PWs) bands (ev): -34.2830 -34.2830 -15.5631 -15.5631 -15.1911 -15.1911 -15.1825 -15.1825 -2.1565 -2.1565 -2.1428 -2.1428 -0.2965 -0.2965 -0.2688 -0.2688 -0.2503 -0.2503 -0.1015 -0.1015 0.0343 0.0343 0.0745 0.0745 0.0804 0.0804 0.1137 0.1137 0.2917 0.2917 0.4014 0.4014 2.0746 2.0746 2.1997 2.1997 3.5854 3.5854 4.3699 4.3699 5.5397 5.5397 5.6192 5.6192 8.6994 8.6994 8.7064 8.7064 10.2634 10.2634 10.8744 10.8744 k = 0.3333 0.5774 0.2704 ( 4566 PWs) bands (ev): -34.2830 -34.2830 -15.5631 -15.5631 -15.1911 -15.1911 -15.1825 -15.1825 -2.1562 -2.1562 -2.1424 -2.1424 -0.2965 -0.2965 -0.2688 -0.2688 -0.2504 -0.2504 -0.1017 -0.1017 0.0342 0.0342 0.0744 0.0744 0.0802 0.0802 0.1137 0.1137 0.2917 0.2917 0.4015 0.4015 2.0696 2.0696 2.1945 2.1945 3.6010 3.6010 4.3483 4.3483 5.5612 5.5612 5.6417 5.6417 8.6716 8.6716 8.6769 8.6769 10.2829 10.2829 10.8797 10.8797 k = 0.3333 0.5774 0.2840 ( 4560 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1560 -2.1560 -2.1422 -2.1422 -0.2965 -0.2965 -0.2687 -0.2687 -0.2505 -0.2505 -0.1018 -0.1018 0.0341 0.0341 0.0744 0.0744 0.0801 0.0801 0.1137 0.1137 0.2917 0.2917 0.4016 0.4016 2.0666 2.0666 2.1913 2.1913 3.6109 3.6109 4.3348 4.3348 5.5744 5.5744 5.6556 5.6556 8.6546 8.6546 8.6588 8.6588 10.2941 10.2941 10.8829 10.8829 k = 0.3333 0.5774 0.2975 ( 4554 PWs) bands (ev): -34.2830 -34.2830 -15.5630 -15.5630 -15.1911 -15.1911 -15.1824 -15.1824 -2.1559 -2.1559 -2.1421 -2.1421 -0.2965 -0.2965 -0.2687 -0.2687 -0.2505 -0.2505 -0.1019 -0.1019 0.0341 0.0341 0.0744 0.0744 0.0801 0.0801 0.1137 0.1137 0.2917 0.2917 0.4017 0.4017 2.0656 2.0656 2.1903 2.1903 3.6144 3.6144 4.3302 4.3302 5.5788 5.5788 5.6603 5.6603 8.6488 8.6488 8.6528 8.6528 10.2977 10.2977 10.8840 10.8840 Writing output data file CaxZnSbx2.save init_run : 0.33s CPU 0.89s WALL ( 1 calls) electrons : 256.54s CPU 261.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.18s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 256.53s CPU 261.55s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 301 calls) cegterg : 242.84s CPU 246.26s WALL ( 912 calls) Called by sum_band: Called by *egterg: h_psi : 113.83s CPU 115.82s WALL ( 16535 calls) s_psi : 9.80s CPU 9.89s WALL ( 16535 calls) g_psi : 0.40s CPU 0.35s WALL ( 15322 calls) cdiaghg : 100.64s CPU 102.13s WALL ( 15623 calls) cegterg:over : 8.65s CPU 9.01s WALL ( 15322 calls) cegterg:upda : 9.82s CPU 9.77s WALL ( 15322 calls) cegterg:last : 4.58s CPU 4.60s WALL ( 1812 calls) cdiaghg:chol : 5.56s CPU 5.66s WALL ( 15623 calls) cdiaghg:inve : 3.81s CPU 3.73s WALL ( 15623 calls) cdiaghg:para : 5.58s CPU 5.78s WALL ( 31246 calls) Called by h_psi: h_psi:vloc : 91.96s CPU 93.73s WALL ( 16535 calls) h_psi:vnl : 21.57s CPU 21.74s WALL ( 16535 calls) add_vuspsi : 11.20s CPU 11.35s WALL ( 16535 calls) General routines calbec : 10.29s CPU 10.35s WALL ( 16535 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 85.38s CPU 87.11s WALL ( 1109948 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.21s WALL ( 602 calls) Parallel routines fft_scatter : 33.02s CPU 33.17s WALL ( 1109971 calls) PWSCF : 4m33.01s CPU 5m 1.67s WALL This run was terminated on: 16:32:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=