Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:18:32 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: ./K2PtC2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 77 29 8 3381 780 124 Max 78 30 9 3386 798 131 Sum 2791 1069 313 121775 28409 4569 bravais-lattice index = 14 lattice parameter (alat) = 9.6815 a.u. unit-cell volume = 800.4340 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.681482 celldm(2)= 1.000000 celldm(3)= 1.018520 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 1.018520 ) 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 0.981817 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) Pt 10.00 195.08400 Pt( 1.00) C 4.00 12.01070 C( 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= 298 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0138889 0.0080188 -0.0000000), wk = 0.0033557 k( 3) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0033557 k( 4) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0033557 k( 5) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0033557 k( 6) = ( 0.0694444 0.0400938 -0.0000000), wk = 0.0033557 k( 7) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033557 k( 8) = ( 0.0972222 0.0561313 -0.0000000), wk = 0.0033557 k( 9) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0033557 k( 10) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033557 k( 11) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0033557 k( 12) = ( 0.1527778 0.0882063 -0.0000000), wk = 0.0033557 k( 13) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033557 k( 14) = ( 0.1805556 0.1042438 -0.0000000), wk = 0.0033557 k( 15) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0033557 k( 16) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0033557 k( 17) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0033557 k( 18) = ( 0.2361111 0.1363188 -0.0000000), wk = 0.0033557 k( 19) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033557 k( 20) = ( 0.2638889 0.1523563 -0.0000000), wk = 0.0033557 k( 21) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0033557 k( 22) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0033557 k( 23) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0033557 k( 24) = ( 0.3194444 0.1844313 -0.0000000), wk = 0.0033557 k( 25) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033557 k( 26) = ( 0.3472222 0.2004688 -0.0000000), wk = 0.0033557 k( 27) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0033557 k( 28) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033557 k( 29) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0033557 k( 30) = ( 0.4027778 0.2325439 -0.0000000), wk = 0.0033557 k( 31) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033557 k( 32) = ( 0.4305556 0.2485814 -0.0000000), wk = 0.0033557 k( 33) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0033557 k( 34) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0033557 k( 35) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0033557 k( 36) = ( 0.4861111 0.2806564 -0.0000000), wk = 0.0033557 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 39) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0033557 k( 40) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0033557 k( 41) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0033557 k( 42) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0033557 k( 43) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0033557 k( 44) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0033557 k( 45) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033557 k( 46) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0033557 k( 47) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0033557 k( 48) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0033557 k( 49) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0033557 k( 50) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0033557 k( 51) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0033557 k( 52) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033557 k( 53) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0033557 k( 54) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0033557 k( 55) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0033557 k( 56) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0033557 k( 57) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0033557 k( 58) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0033557 k( 59) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 60) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 61) = ( 0.3252032 0.5632686 -0.0000000), wk = 0.0033557 k( 62) = ( 0.3170732 0.5491868 -0.0000000), wk = 0.0033557 k( 63) = ( 0.3089431 0.5351051 -0.0000000), wk = 0.0033557 k( 64) = ( 0.3008130 0.5210234 -0.0000000), wk = 0.0033557 k( 65) = ( 0.2926829 0.5069417 -0.0000000), wk = 0.0033557 k( 66) = ( 0.2845529 0.4928600 -0.0000000), wk = 0.0033557 k( 67) = ( 0.2764228 0.4787783 -0.0000000), wk = 0.0033557 k( 68) = ( 0.2682927 0.4646966 -0.0000000), wk = 0.0033557 k( 69) = ( 0.2601626 0.4506148 -0.0000000), wk = 0.0033557 k( 70) = ( 0.2520325 0.4365331 -0.0000000), wk = 0.0033557 k( 71) = ( 0.2439024 0.4224514 -0.0000000), wk = 0.0033557 k( 72) = ( 0.2357724 0.4083697 -0.0000000), wk = 0.0033557 k( 73) = ( 0.2276423 0.3942880 -0.0000000), wk = 0.0033557 k( 74) = ( 0.2195122 0.3802063 -0.0000000), wk = 0.0033557 k( 75) = ( 0.2113821 0.3661246 -0.0000000), wk = 0.0033557 k( 76) = ( 0.2032520 0.3520428 -0.0000000), wk = 0.0033557 k( 77) = ( 0.1951219 0.3379611 -0.0000000), wk = 0.0033557 k( 78) = ( 0.1869919 0.3238794 -0.0000000), wk = 0.0033557 k( 79) = ( 0.1788618 0.3097977 -0.0000000), wk = 0.0033557 k( 80) = ( 0.1707317 0.2957160 -0.0000000), wk = 0.0033557 k( 81) = ( 0.1626016 0.2816343 -0.0000000), wk = 0.0033557 k( 82) = ( 0.1544715 0.2675526 -0.0000000), wk = 0.0033557 k( 83) = ( 0.1463415 0.2534708 -0.0000000), wk = 0.0033557 k( 84) = ( 0.1382114 0.2393891 -0.0000000), wk = 0.0033557 k( 85) = ( 0.1300813 0.2253074 -0.0000000), wk = 0.0033557 k( 86) = ( 0.1219512 0.2112257 -0.0000000), wk = 0.0033557 k( 87) = ( 0.1138211 0.1971440 -0.0000000), wk = 0.0033557 k( 88) = ( 0.1056911 0.1830623 -0.0000000), wk = 0.0033557 k( 89) = ( 0.0975610 0.1689806 -0.0000000), wk = 0.0033557 k( 90) = ( 0.0894309 0.1548988 -0.0000000), wk = 0.0033557 k( 91) = ( 0.0813008 0.1408171 -0.0000000), wk = 0.0033557 k( 92) = ( 0.0731707 0.1267354 -0.0000000), wk = 0.0033557 k( 93) = ( 0.0650407 0.1126537 -0.0000000), wk = 0.0033557 k( 94) = ( 0.0569106 0.0985720 -0.0000000), wk = 0.0033557 k( 95) = ( 0.0487805 0.0844903 -0.0000000), wk = 0.0033557 k( 96) = ( 0.0406504 0.0704086 -0.0000000), wk = 0.0033557 k( 97) = ( 0.0325203 0.0563269 -0.0000000), wk = 0.0033557 k( 98) = ( 0.0243902 0.0422451 -0.0000000), wk = 0.0033557 k( 99) = ( 0.0162602 0.0281634 -0.0000000), wk = 0.0033557 k( 100) = ( 0.0081301 0.0140817 -0.0000000), wk = 0.0033557 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 103) = ( 0.0000000 0.0000000 0.0158358), wk = 0.0033557 k( 104) = ( 0.0000000 0.0000000 0.0316715), wk = 0.0033557 k( 105) = ( 0.0000000 0.0000000 0.0475073), wk = 0.0033557 k( 106) = ( 0.0000000 0.0000000 0.0633430), wk = 0.0033557 k( 107) = ( 0.0000000 0.0000000 0.0791788), wk = 0.0033557 k( 108) = ( 0.0000000 0.0000000 0.0950146), wk = 0.0033557 k( 109) = ( 0.0000000 0.0000000 0.1108503), wk = 0.0033557 k( 110) = ( 0.0000000 0.0000000 0.1266861), wk = 0.0033557 k( 111) = ( 0.0000000 0.0000000 0.1425218), wk = 0.0033557 k( 112) = ( 0.0000000 0.0000000 0.1583576), wk = 0.0033557 k( 113) = ( 0.0000000 0.0000000 0.1741934), wk = 0.0033557 k( 114) = ( 0.0000000 0.0000000 0.1900291), wk = 0.0033557 k( 115) = ( 0.0000000 0.0000000 0.2058649), wk = 0.0033557 k( 116) = ( 0.0000000 0.0000000 0.2217006), wk = 0.0033557 k( 117) = ( 0.0000000 0.0000000 0.2375364), wk = 0.0033557 k( 118) = ( 0.0000000 0.0000000 0.2533722), wk = 0.0033557 k( 119) = ( 0.0000000 0.0000000 0.2692079), wk = 0.0033557 k( 120) = ( 0.0000000 0.0000000 0.2850437), wk = 0.0033557 k( 121) = ( 0.0000000 0.0000000 0.3008794), wk = 0.0033557 k( 122) = ( 0.0000000 0.0000000 0.3167152), wk = 0.0033557 k( 123) = ( 0.0000000 0.0000000 0.3325510), wk = 0.0033557 k( 124) = ( 0.0000000 0.0000000 0.3483867), wk = 0.0033557 k( 125) = ( 0.0000000 0.0000000 0.3642225), wk = 0.0033557 k( 126) = ( 0.0000000 0.0000000 0.3800582), wk = 0.0033557 k( 127) = ( 0.0000000 0.0000000 0.3958940), wk = 0.0033557 k( 128) = ( 0.0000000 0.0000000 0.4117298), wk = 0.0033557 k( 129) = ( 0.0000000 0.0000000 0.4275655), wk = 0.0033557 k( 130) = ( 0.0000000 0.0000000 0.4434013), wk = 0.0033557 k( 131) = ( 0.0000000 0.0000000 0.4592371), wk = 0.0033557 k( 132) = ( 0.0000000 0.0000000 0.4750728), wk = 0.0033557 k( 133) = ( 0.0000000 0.0000000 0.4909086), wk = 0.0033557 k( 134) = ( 0.0000000 0.0000000 0.4909086), wk = 0.0033557 k( 135) = ( 0.0138889 0.0080188 0.4909086), wk = 0.0033557 k( 136) = ( 0.0277778 0.0160375 0.4909086), wk = 0.0033557 k( 137) = ( 0.0416667 0.0240563 0.4909086), wk = 0.0033557 k( 138) = ( 0.0555556 0.0320750 0.4909086), wk = 0.0033557 k( 139) = ( 0.0694444 0.0400938 0.4909086), wk = 0.0033557 k( 140) = ( 0.0833333 0.0481125 0.4909086), wk = 0.0033557 k( 141) = ( 0.0972222 0.0561313 0.4909086), wk = 0.0033557 k( 142) = ( 0.1111111 0.0641500 0.4909086), wk = 0.0033557 k( 143) = ( 0.1250000 0.0721688 0.4909086), wk = 0.0033557 k( 144) = ( 0.1388889 0.0801875 0.4909086), wk = 0.0033557 k( 145) = ( 0.1527778 0.0882063 0.4909086), wk = 0.0033557 k( 146) = ( 0.1666667 0.0962250 0.4909086), wk = 0.0033557 k( 147) = ( 0.1805556 0.1042438 0.4909086), wk = 0.0033557 k( 148) = ( 0.1944444 0.1122625 0.4909086), wk = 0.0033557 k( 149) = ( 0.2083333 0.1202813 0.4909086), wk = 0.0033557 k( 150) = ( 0.2222222 0.1283001 0.4909086), wk = 0.0033557 k( 151) = ( 0.2361111 0.1363188 0.4909086), wk = 0.0033557 k( 152) = ( 0.2500000 0.1443376 0.4909086), wk = 0.0033557 k( 153) = ( 0.2638889 0.1523563 0.4909086), wk = 0.0033557 k( 154) = ( 0.2777778 0.1603751 0.4909086), wk = 0.0033557 k( 155) = ( 0.2916667 0.1683938 0.4909086), wk = 0.0033557 k( 156) = ( 0.3055556 0.1764126 0.4909086), wk = 0.0033557 k( 157) = ( 0.3194444 0.1844313 0.4909086), wk = 0.0033557 k( 158) = ( 0.3333333 0.1924501 0.4909086), wk = 0.0033557 k( 159) = ( 0.3472222 0.2004688 0.4909086), wk = 0.0033557 k( 160) = ( 0.3611111 0.2084876 0.4909086), wk = 0.0033557 k( 161) = ( 0.3750000 0.2165064 0.4909086), wk = 0.0033557 k( 162) = ( 0.3888889 0.2245251 0.4909086), wk = 0.0033557 k( 163) = ( 0.4027778 0.2325439 0.4909086), wk = 0.0033557 k( 164) = ( 0.4166667 0.2405626 0.4909086), wk = 0.0033557 k( 165) = ( 0.4305556 0.2485814 0.4909086), wk = 0.0033557 k( 166) = ( 0.4444444 0.2566001 0.4909086), wk = 0.0033557 k( 167) = ( 0.4583333 0.2646189 0.4909086), wk = 0.0033557 k( 168) = ( 0.4722222 0.2726376 0.4909086), wk = 0.0033557 k( 169) = ( 0.4861111 0.2806564 0.4909086), wk = 0.0033557 k( 170) = ( 0.5000000 0.2886751 0.4909086), wk = 0.0033557 k( 171) = ( 0.5000000 0.2886751 0.4909086), wk = 0.0033557 k( 172) = ( 0.4920635 0.3024216 0.4909086), wk = 0.0033557 k( 173) = ( 0.4841270 0.3161680 0.4909086), wk = 0.0033557 k( 174) = ( 0.4761905 0.3299144 0.4909086), wk = 0.0033557 k( 175) = ( 0.4682540 0.3436609 0.4909086), wk = 0.0033557 k( 176) = ( 0.4603175 0.3574073 0.4909086), wk = 0.0033557 k( 177) = ( 0.4523810 0.3711537 0.4909086), wk = 0.0033557 k( 178) = ( 0.4444444 0.3849002 0.4909086), wk = 0.0033557 k( 179) = ( 0.4365079 0.3986466 0.4909086), wk = 0.0033557 k( 180) = ( 0.4285714 0.4123930 0.4909086), wk = 0.0033557 k( 181) = ( 0.4206349 0.4261395 0.4909086), wk = 0.0033557 k( 182) = ( 0.4126984 0.4398859 0.4909086), wk = 0.0033557 k( 183) = ( 0.4047619 0.4536324 0.4909086), wk = 0.0033557 k( 184) = ( 0.3968254 0.4673788 0.4909086), wk = 0.0033557 k( 185) = ( 0.3888889 0.4811252 0.4909086), wk = 0.0033557 k( 186) = ( 0.3809524 0.4948717 0.4909086), wk = 0.0033557 k( 187) = ( 0.3730159 0.5086181 0.4909086), wk = 0.0033557 k( 188) = ( 0.3650794 0.5223645 0.4909086), wk = 0.0033557 k( 189) = ( 0.3571429 0.5361110 0.4909086), wk = 0.0033557 k( 190) = ( 0.3492063 0.5498574 0.4909086), wk = 0.0033557 k( 191) = ( 0.3412698 0.5636038 0.4909086), wk = 0.0033557 k( 192) = ( 0.3333333 0.5773503 0.4909086), wk = 0.0033557 k( 193) = ( 0.3333333 0.5773503 0.4909086), wk = 0.0033557 k( 194) = ( 0.3252032 0.5632686 0.4909086), wk = 0.0033557 k( 195) = ( 0.3170732 0.5491868 0.4909086), wk = 0.0033557 k( 196) = ( 0.3089431 0.5351051 0.4909086), wk = 0.0033557 k( 197) = ( 0.3008130 0.5210234 0.4909086), wk = 0.0033557 k( 198) = ( 0.2926829 0.5069417 0.4909086), wk = 0.0033557 k( 199) = ( 0.2845529 0.4928600 0.4909086), wk = 0.0033557 k( 200) = ( 0.2764228 0.4787783 0.4909086), wk = 0.0033557 k( 201) = ( 0.2682927 0.4646966 0.4909086), wk = 0.0033557 k( 202) = ( 0.2601626 0.4506148 0.4909086), wk = 0.0033557 k( 203) = ( 0.2520325 0.4365331 0.4909086), wk = 0.0033557 k( 204) = ( 0.2439024 0.4224514 0.4909086), wk = 0.0033557 k( 205) = ( 0.2357724 0.4083697 0.4909086), wk = 0.0033557 k( 206) = ( 0.2276423 0.3942880 0.4909086), wk = 0.0033557 k( 207) = ( 0.2195122 0.3802063 0.4909086), wk = 0.0033557 k( 208) = ( 0.2113821 0.3661246 0.4909086), wk = 0.0033557 k( 209) = ( 0.2032520 0.3520428 0.4909086), wk = 0.0033557 k( 210) = ( 0.1951219 0.3379611 0.4909086), wk = 0.0033557 k( 211) = ( 0.1869919 0.3238794 0.4909086), wk = 0.0033557 k( 212) = ( 0.1788618 0.3097977 0.4909086), wk = 0.0033557 k( 213) = ( 0.1707317 0.2957160 0.4909086), wk = 0.0033557 k( 214) = ( 0.1626016 0.2816343 0.4909086), wk = 0.0033557 k( 215) = ( 0.1544715 0.2675526 0.4909086), wk = 0.0033557 k( 216) = ( 0.1463415 0.2534708 0.4909086), wk = 0.0033557 k( 217) = ( 0.1382114 0.2393891 0.4909086), wk = 0.0033557 k( 218) = ( 0.1300813 0.2253074 0.4909086), wk = 0.0033557 k( 219) = ( 0.1219512 0.2112257 0.4909086), wk = 0.0033557 k( 220) = ( 0.1138211 0.1971440 0.4909086), wk = 0.0033557 k( 221) = ( 0.1056911 0.1830623 0.4909086), wk = 0.0033557 k( 222) = ( 0.0975610 0.1689806 0.4909086), wk = 0.0033557 k( 223) = ( 0.0894309 0.1548988 0.4909086), wk = 0.0033557 k( 224) = ( 0.0813008 0.1408171 0.4909086), wk = 0.0033557 k( 225) = ( 0.0731707 0.1267354 0.4909086), wk = 0.0033557 k( 226) = ( 0.0650407 0.1126537 0.4909086), wk = 0.0033557 k( 227) = ( 0.0569106 0.0985720 0.4909086), wk = 0.0033557 k( 228) = ( 0.0487805 0.0844903 0.4909086), wk = 0.0033557 k( 229) = ( 0.0406504 0.0704086 0.4909086), wk = 0.0033557 k( 230) = ( 0.0325203 0.0563269 0.4909086), wk = 0.0033557 k( 231) = ( 0.0243902 0.0422451 0.4909086), wk = 0.0033557 k( 232) = ( 0.0162602 0.0281634 0.4909086), wk = 0.0033557 k( 233) = ( 0.0081301 0.0140817 0.4909086), wk = 0.0033557 k( 234) = ( 0.0000000 0.0000000 0.4909086), wk = 0.0033557 k( 235) = ( 0.5000000 0.2886751 0.4909086), wk = 0.0033557 k( 236) = ( 0.5000000 0.2886751 0.4750728), wk = 0.0033557 k( 237) = ( 0.5000000 0.2886751 0.4592371), wk = 0.0033557 k( 238) = ( 0.5000000 0.2886751 0.4434013), wk = 0.0033557 k( 239) = ( 0.5000000 0.2886751 0.4275655), wk = 0.0033557 k( 240) = ( 0.5000000 0.2886751 0.4117298), wk = 0.0033557 k( 241) = ( 0.5000000 0.2886751 0.3958940), wk = 0.0033557 k( 242) = ( 0.5000000 0.2886751 0.3800582), wk = 0.0033557 k( 243) = ( 0.5000000 0.2886751 0.3642225), wk = 0.0033557 k( 244) = ( 0.5000000 0.2886751 0.3483867), wk = 0.0033557 k( 245) = ( 0.5000000 0.2886751 0.3325510), wk = 0.0033557 k( 246) = ( 0.5000000 0.2886751 0.3167152), wk = 0.0033557 k( 247) = ( 0.5000000 0.2886751 0.3008794), wk = 0.0033557 k( 248) = ( 0.5000000 0.2886751 0.2850437), wk = 0.0033557 k( 249) = ( 0.5000000 0.2886751 0.2692079), wk = 0.0033557 k( 250) = ( 0.5000000 0.2886751 0.2533722), wk = 0.0033557 k( 251) = ( 0.5000000 0.2886751 0.2375364), wk = 0.0033557 k( 252) = ( 0.5000000 0.2886751 0.2217006), wk = 0.0033557 k( 253) = ( 0.5000000 0.2886751 0.2058649), wk = 0.0033557 k( 254) = ( 0.5000000 0.2886751 0.1900291), wk = 0.0033557 k( 255) = ( 0.5000000 0.2886751 0.1741934), wk = 0.0033557 k( 256) = ( 0.5000000 0.2886751 0.1583576), wk = 0.0033557 k( 257) = ( 0.5000000 0.2886751 0.1425218), wk = 0.0033557 k( 258) = ( 0.5000000 0.2886751 0.1266861), wk = 0.0033557 k( 259) = ( 0.5000000 0.2886751 0.1108503), wk = 0.0033557 k( 260) = ( 0.5000000 0.2886751 0.0950146), wk = 0.0033557 k( 261) = ( 0.5000000 0.2886751 0.0791788), wk = 0.0033557 k( 262) = ( 0.5000000 0.2886751 0.0633430), wk = 0.0033557 k( 263) = ( 0.5000000 0.2886751 0.0475073), wk = 0.0033557 k( 264) = ( 0.5000000 0.2886751 0.0316715), wk = 0.0033557 k( 265) = ( 0.5000000 0.2886751 0.0158358), wk = 0.0033557 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033557 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033557 k( 268) = ( 0.3333333 0.5773503 0.0158358), wk = 0.0033557 k( 269) = ( 0.3333333 0.5773503 0.0316715), wk = 0.0033557 k( 270) = ( 0.3333333 0.5773503 0.0475073), wk = 0.0033557 k( 271) = ( 0.3333333 0.5773503 0.0633430), wk = 0.0033557 k( 272) = ( 0.3333333 0.5773503 0.0791788), wk = 0.0033557 k( 273) = ( 0.3333333 0.5773503 0.0950146), wk = 0.0033557 k( 274) = ( 0.3333333 0.5773503 0.1108503), wk = 0.0033557 k( 275) = ( 0.3333333 0.5773503 0.1266861), wk = 0.0033557 k( 276) = ( 0.3333333 0.5773503 0.1425218), wk = 0.0033557 k( 277) = ( 0.3333333 0.5773503 0.1583576), wk = 0.0033557 k( 278) = ( 0.3333333 0.5773503 0.1741934), wk = 0.0033557 k( 279) = ( 0.3333333 0.5773503 0.1900291), wk = 0.0033557 k( 280) = ( 0.3333333 0.5773503 0.2058649), wk = 0.0033557 k( 281) = ( 0.3333333 0.5773503 0.2217006), wk = 0.0033557 k( 282) = ( 0.3333333 0.5773503 0.2375364), wk = 0.0033557 k( 283) = ( 0.3333333 0.5773503 0.2533722), wk = 0.0033557 k( 284) = ( 0.3333333 0.5773503 0.2692079), wk = 0.0033557 k( 285) = ( 0.3333333 0.5773503 0.2850437), wk = 0.0033557 k( 286) = ( 0.3333333 0.5773503 0.3008794), wk = 0.0033557 k( 287) = ( 0.3333333 0.5773503 0.3167152), wk = 0.0033557 k( 288) = ( 0.3333333 0.5773503 0.3325510), wk = 0.0033557 k( 289) = ( 0.3333333 0.5773503 0.3483867), wk = 0.0033557 k( 290) = ( 0.3333333 0.5773503 0.3642225), wk = 0.0033557 k( 291) = ( 0.3333333 0.5773503 0.3800582), wk = 0.0033557 k( 292) = ( 0.3333333 0.5773503 0.3958940), wk = 0.0033557 k( 293) = ( 0.3333333 0.5773503 0.4117298), wk = 0.0033557 k( 294) = ( 0.3333333 0.5773503 0.4275655), wk = 0.0033557 k( 295) = ( 0.3333333 0.5773503 0.4434013), wk = 0.0033557 k( 296) = ( 0.3333333 0.5773503 0.4592371), wk = 0.0033557 k( 297) = ( 0.3333333 0.5773503 0.4750728), wk = 0.0033557 k( 298) = ( 0.3333333 0.5773503 0.4909086), wk = 0.0033557 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0138889 -0.0000000 -0.0000000), wk = 0.0033557 k( 3) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0033557 k( 4) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0033557 k( 5) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0033557 k( 6) = ( 0.0694444 -0.0000000 0.0000000), wk = 0.0033557 k( 7) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0033557 k( 8) = ( 0.0972222 -0.0000000 0.0000000), wk = 0.0033557 k( 9) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0033557 k( 10) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0033557 k( 11) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0033557 k( 12) = ( 0.1527778 0.0000000 -0.0000000), wk = 0.0033557 k( 13) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0033557 k( 14) = ( 0.1805556 -0.0000000 0.0000000), wk = 0.0033557 k( 15) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0033557 k( 16) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0033557 k( 17) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0033557 k( 18) = ( 0.2361111 -0.0000000 0.0000000), wk = 0.0033557 k( 19) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0033557 k( 20) = ( 0.2638889 -0.0000000 -0.0000000), wk = 0.0033557 k( 21) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0033557 k( 22) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0033557 k( 23) = ( 0.3055556 0.0000000 -0.0000000), wk = 0.0033557 k( 24) = ( 0.3194444 -0.0000000 -0.0000000), wk = 0.0033557 k( 25) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0033557 k( 26) = ( 0.3472222 -0.0000000 0.0000000), wk = 0.0033557 k( 27) = ( 0.3611111 -0.0000000 0.0000000), wk = 0.0033557 k( 28) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0033557 k( 29) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0033557 k( 30) = ( 0.4027778 0.0000000 0.0000000), wk = 0.0033557 k( 31) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0033557 k( 32) = ( 0.4305556 -0.0000000 0.0000000), wk = 0.0033557 k( 33) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0033557 k( 34) = ( 0.4583333 -0.0000000 0.0000000), wk = 0.0033557 k( 35) = ( 0.4722222 -0.0000000 0.0000000), wk = 0.0033557 k( 36) = ( 0.4861111 -0.0000000 0.0000000), wk = 0.0033557 k( 37) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033557 k( 38) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033557 k( 39) = ( 0.4920635 0.0158730 0.0000000), wk = 0.0033557 k( 40) = ( 0.4841270 0.0317460 0.0000000), wk = 0.0033557 k( 41) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0033557 k( 42) = ( 0.4682540 0.0634921 0.0000000), wk = 0.0033557 k( 43) = ( 0.4603175 0.0793651 -0.0000000), wk = 0.0033557 k( 44) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0033557 k( 45) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033557 k( 46) = ( 0.4365079 0.1269841 0.0000000), wk = 0.0033557 k( 47) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0033557 k( 48) = ( 0.4206349 0.1587302 0.0000000), wk = 0.0033557 k( 49) = ( 0.4126984 0.1746032 0.0000000), wk = 0.0033557 k( 50) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0033557 k( 51) = ( 0.3968254 0.2063492 -0.0000000), wk = 0.0033557 k( 52) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033557 k( 53) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0033557 k( 54) = ( 0.3730159 0.2539682 -0.0000000), wk = 0.0033557 k( 55) = ( 0.3650794 0.2698413 0.0000000), wk = 0.0033557 k( 56) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0033557 k( 57) = ( 0.3492063 0.3015873 -0.0000000), wk = 0.0033557 k( 58) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0033557 k( 59) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033557 k( 60) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033557 k( 61) = ( 0.3252032 0.3252032 -0.0000000), wk = 0.0033557 k( 62) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0033557 k( 63) = ( 0.3089431 0.3089431 0.0000000), wk = 0.0033557 k( 64) = ( 0.3008130 0.3008130 0.0000000), wk = 0.0033557 k( 65) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0033557 k( 66) = ( 0.2845529 0.2845529 0.0000000), wk = 0.0033557 k( 67) = ( 0.2764228 0.2764228 -0.0000000), wk = 0.0033557 k( 68) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0033557 k( 69) = ( 0.2601626 0.2601626 0.0000000), wk = 0.0033557 k( 70) = ( 0.2520325 0.2520325 0.0000000), wk = 0.0033557 k( 71) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0033557 k( 72) = ( 0.2357724 0.2357724 -0.0000000), wk = 0.0033557 k( 73) = ( 0.2276423 0.2276423 0.0000000), wk = 0.0033557 k( 74) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0033557 k( 75) = ( 0.2113821 0.2113821 -0.0000000), wk = 0.0033557 k( 76) = ( 0.2032520 0.2032520 0.0000000), wk = 0.0033557 k( 77) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0033557 k( 78) = ( 0.1869919 0.1869919 0.0000000), wk = 0.0033557 k( 79) = ( 0.1788618 0.1788618 -0.0000000), wk = 0.0033557 k( 80) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0033557 k( 81) = ( 0.1626016 0.1626016 -0.0000000), wk = 0.0033557 k( 82) = ( 0.1544715 0.1544715 0.0000000), wk = 0.0033557 k( 83) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0033557 k( 84) = ( 0.1382114 0.1382114 -0.0000000), wk = 0.0033557 k( 85) = ( 0.1300813 0.1300813 0.0000000), wk = 0.0033557 k( 86) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0033557 k( 87) = ( 0.1138211 0.1138211 0.0000000), wk = 0.0033557 k( 88) = ( 0.1056911 0.1056911 -0.0000000), wk = 0.0033557 k( 89) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0033557 k( 90) = ( 0.0894309 0.0894309 0.0000000), wk = 0.0033557 k( 91) = ( 0.0813008 0.0813008 0.0000000), wk = 0.0033557 k( 92) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0033557 k( 93) = ( 0.0650407 0.0650407 0.0000000), wk = 0.0033557 k( 94) = ( 0.0569106 0.0569106 0.0000000), wk = 0.0033557 k( 95) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0033557 k( 96) = ( 0.0406504 0.0406504 0.0000000), wk = 0.0033557 k( 97) = ( 0.0325203 0.0325203 -0.0000000), wk = 0.0033557 k( 98) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0033557 k( 99) = ( 0.0162602 0.0162602 0.0000000), wk = 0.0033557 k( 100) = ( 0.0081301 0.0081301 0.0000000), wk = 0.0033557 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 103) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0033557 k( 104) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0033557 k( 105) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0033557 k( 106) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0033557 k( 107) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0033557 k( 108) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0033557 k( 109) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0033557 k( 110) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0033557 k( 111) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0033557 k( 112) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0033557 k( 113) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0033557 k( 114) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0033557 k( 115) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0033557 k( 116) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0033557 k( 117) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0033557 k( 118) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0033557 k( 119) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0033557 k( 120) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0033557 k( 121) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0033557 k( 122) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0033557 k( 123) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0033557 k( 124) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0033557 k( 125) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0033557 k( 126) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0033557 k( 127) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0033557 k( 128) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0033557 k( 129) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0033557 k( 130) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0033557 k( 131) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0033557 k( 132) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0033557 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 135) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0033557 k( 136) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0033557 k( 137) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0033557 k( 138) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0033557 k( 139) = ( 0.0694444 -0.0000000 0.5000000), wk = 0.0033557 k( 140) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0033557 k( 141) = ( 0.0972222 -0.0000000 0.5000000), wk = 0.0033557 k( 142) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0033557 k( 143) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0033557 k( 144) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0033557 k( 145) = ( 0.1527778 0.0000000 0.5000000), wk = 0.0033557 k( 146) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0033557 k( 147) = ( 0.1805556 -0.0000000 0.5000000), wk = 0.0033557 k( 148) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0033557 k( 149) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0033557 k( 150) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0033557 k( 151) = ( 0.2361111 -0.0000000 0.5000000), wk = 0.0033557 k( 152) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0033557 k( 153) = ( 0.2638889 -0.0000000 0.5000000), wk = 0.0033557 k( 154) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0033557 k( 155) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0033557 k( 156) = ( 0.3055556 0.0000000 0.5000000), wk = 0.0033557 k( 157) = ( 0.3194444 -0.0000000 0.5000000), wk = 0.0033557 k( 158) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0033557 k( 159) = ( 0.3472222 -0.0000000 0.5000000), wk = 0.0033557 k( 160) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0033557 k( 161) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0033557 k( 162) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0033557 k( 163) = ( 0.4027778 0.0000000 0.5000000), wk = 0.0033557 k( 164) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0033557 k( 165) = ( 0.4305556 -0.0000000 0.5000000), wk = 0.0033557 k( 166) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0033557 k( 167) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0033557 k( 168) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0033557 k( 169) = ( 0.4861111 -0.0000000 0.5000000), wk = 0.0033557 k( 170) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033557 k( 171) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033557 k( 172) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0033557 k( 173) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0033557 k( 174) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0033557 k( 175) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0033557 k( 176) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0033557 k( 177) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0033557 k( 178) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033557 k( 179) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0033557 k( 180) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0033557 k( 181) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0033557 k( 182) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0033557 k( 183) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0033557 k( 184) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0033557 k( 185) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033557 k( 186) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0033557 k( 187) = ( 0.3730159 0.2539682 0.5000000), wk = 0.0033557 k( 188) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0033557 k( 189) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0033557 k( 190) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0033557 k( 191) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0033557 k( 192) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 k( 193) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 k( 194) = ( 0.3252032 0.3252032 0.5000000), wk = 0.0033557 k( 195) = ( 0.3170732 0.3170732 0.5000000), wk = 0.0033557 k( 196) = ( 0.3089431 0.3089431 0.5000000), wk = 0.0033557 k( 197) = ( 0.3008130 0.3008130 0.5000000), wk = 0.0033557 k( 198) = ( 0.2926829 0.2926829 0.5000000), wk = 0.0033557 k( 199) = ( 0.2845529 0.2845529 0.5000000), wk = 0.0033557 k( 200) = ( 0.2764228 0.2764228 0.5000000), wk = 0.0033557 k( 201) = ( 0.2682927 0.2682927 0.5000000), wk = 0.0033557 k( 202) = ( 0.2601626 0.2601626 0.5000000), wk = 0.0033557 k( 203) = ( 0.2520325 0.2520325 0.5000000), wk = 0.0033557 k( 204) = ( 0.2439024 0.2439024 0.5000000), wk = 0.0033557 k( 205) = ( 0.2357724 0.2357724 0.5000000), wk = 0.0033557 k( 206) = ( 0.2276423 0.2276423 0.5000000), wk = 0.0033557 k( 207) = ( 0.2195122 0.2195122 0.5000000), wk = 0.0033557 k( 208) = ( 0.2113821 0.2113821 0.5000000), wk = 0.0033557 k( 209) = ( 0.2032520 0.2032520 0.5000000), wk = 0.0033557 k( 210) = ( 0.1951219 0.1951219 0.5000000), wk = 0.0033557 k( 211) = ( 0.1869919 0.1869919 0.5000000), wk = 0.0033557 k( 212) = ( 0.1788618 0.1788618 0.5000000), wk = 0.0033557 k( 213) = ( 0.1707317 0.1707317 0.5000000), wk = 0.0033557 k( 214) = ( 0.1626016 0.1626016 0.5000000), wk = 0.0033557 k( 215) = ( 0.1544715 0.1544715 0.5000000), wk = 0.0033557 k( 216) = ( 0.1463415 0.1463415 0.5000000), wk = 0.0033557 k( 217) = ( 0.1382114 0.1382114 0.5000000), wk = 0.0033557 k( 218) = ( 0.1300813 0.1300813 0.5000000), wk = 0.0033557 k( 219) = ( 0.1219512 0.1219512 0.5000000), wk = 0.0033557 k( 220) = ( 0.1138211 0.1138211 0.5000000), wk = 0.0033557 k( 221) = ( 0.1056911 0.1056911 0.5000000), wk = 0.0033557 k( 222) = ( 0.0975610 0.0975610 0.5000000), wk = 0.0033557 k( 223) = ( 0.0894309 0.0894309 0.5000000), wk = 0.0033557 k( 224) = ( 0.0813008 0.0813008 0.5000000), wk = 0.0033557 k( 225) = ( 0.0731707 0.0731707 0.5000000), wk = 0.0033557 k( 226) = ( 0.0650407 0.0650407 0.5000000), wk = 0.0033557 k( 227) = ( 0.0569106 0.0569106 0.5000000), wk = 0.0033557 k( 228) = ( 0.0487805 0.0487805 0.5000000), wk = 0.0033557 k( 229) = ( 0.0406504 0.0406504 0.5000000), wk = 0.0033557 k( 230) = ( 0.0325203 0.0325203 0.5000000), wk = 0.0033557 k( 231) = ( 0.0243902 0.0243902 0.5000000), wk = 0.0033557 k( 232) = ( 0.0162602 0.0162602 0.5000000), wk = 0.0033557 k( 233) = ( 0.0081301 0.0081301 0.5000000), wk = 0.0033557 k( 234) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 235) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033557 k( 236) = ( 0.5000000 -0.0000000 0.4838710), wk = 0.0033557 k( 237) = ( 0.5000000 -0.0000000 0.4677419), wk = 0.0033557 k( 238) = ( 0.5000000 -0.0000000 0.4516129), wk = 0.0033557 k( 239) = ( 0.5000000 -0.0000000 0.4354839), wk = 0.0033557 k( 240) = ( 0.5000000 -0.0000000 0.4193548), wk = 0.0033557 k( 241) = ( 0.5000000 -0.0000000 0.4032258), wk = 0.0033557 k( 242) = ( 0.5000000 -0.0000000 0.3870968), wk = 0.0033557 k( 243) = ( 0.5000000 -0.0000000 0.3709677), wk = 0.0033557 k( 244) = ( 0.5000000 -0.0000000 0.3548387), wk = 0.0033557 k( 245) = ( 0.5000000 -0.0000000 0.3387097), wk = 0.0033557 k( 246) = ( 0.5000000 -0.0000000 0.3225806), wk = 0.0033557 k( 247) = ( 0.5000000 -0.0000000 0.3064516), wk = 0.0033557 k( 248) = ( 0.5000000 -0.0000000 0.2903226), wk = 0.0033557 k( 249) = ( 0.5000000 -0.0000000 0.2741935), wk = 0.0033557 k( 250) = ( 0.5000000 -0.0000000 0.2580645), wk = 0.0033557 k( 251) = ( 0.5000000 -0.0000000 0.2419355), wk = 0.0033557 k( 252) = ( 0.5000000 -0.0000000 0.2258064), wk = 0.0033557 k( 253) = ( 0.5000000 -0.0000000 0.2096774), wk = 0.0033557 k( 254) = ( 0.5000000 -0.0000000 0.1935484), wk = 0.0033557 k( 255) = ( 0.5000000 -0.0000000 0.1774194), wk = 0.0033557 k( 256) = ( 0.5000000 -0.0000000 0.1612903), wk = 0.0033557 k( 257) = ( 0.5000000 -0.0000000 0.1451613), wk = 0.0033557 k( 258) = ( 0.5000000 -0.0000000 0.1290323), wk = 0.0033557 k( 259) = ( 0.5000000 -0.0000000 0.1129032), wk = 0.0033557 k( 260) = ( 0.5000000 -0.0000000 0.0967742), wk = 0.0033557 k( 261) = ( 0.5000000 -0.0000000 0.0806452), wk = 0.0033557 k( 262) = ( 0.5000000 -0.0000000 0.0645161), wk = 0.0033557 k( 263) = ( 0.5000000 -0.0000000 0.0483871), wk = 0.0033557 k( 264) = ( 0.5000000 -0.0000000 0.0322581), wk = 0.0033557 k( 265) = ( 0.5000000 -0.0000000 0.0161290), wk = 0.0033557 k( 266) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033557 k( 267) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033557 k( 268) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0033557 k( 269) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0033557 k( 270) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0033557 k( 271) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0033557 k( 272) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0033557 k( 273) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0033557 k( 274) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0033557 k( 275) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0033557 k( 276) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0033557 k( 277) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0033557 k( 278) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0033557 k( 279) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0033557 k( 280) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0033557 k( 281) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0033557 k( 282) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0033557 k( 283) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0033557 k( 284) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0033557 k( 285) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0033557 k( 286) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0033557 k( 287) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0033557 k( 288) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0033557 k( 289) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0033557 k( 290) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0033557 k( 291) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0033557 k( 292) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0033557 k( 293) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0033557 k( 294) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0033557 k( 295) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0033557 k( 296) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0033557 k( 297) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0033557 k( 298) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 Dense grid: 121775 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 28409 G-vectors FFT dimensions: ( 40, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 216, 44) NL pseudopotentials 0.21 Mb ( 108, 130) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3384) G-vector shells 0.01 Mb ( 1571) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 216, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 130, 2, 44) The potential is recalculated from file : ./K2PtC2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.5 secs Computing kpt #: 8 total cpu time spent up to now is 9.3 secs Computing kpt #: 9 total cpu time spent up to now is 10.0 secs Computing kpt #: 10 total cpu time spent up to now is 10.6 secs Computing kpt #: 11 total cpu time spent up to now is 11.2 secs Computing kpt #: 12 total cpu time spent up to now is 11.8 secs Computing kpt #: 13 total cpu time spent up to now is 12.4 secs Computing kpt #: 14 total cpu time spent up to now is 13.0 secs Computing kpt #: 15 total cpu time spent up to now is 13.6 secs Computing kpt #: 16 total cpu time spent up to now is 14.3 secs Computing kpt #: 17 total cpu time spent up to now is 14.9 secs Computing kpt #: 18 total cpu time spent up to now is 15.6 secs Computing kpt #: 19 total cpu time spent up to now is 16.2 secs Computing kpt #: 20 total cpu time spent up to now is 16.8 secs Computing kpt #: 21 total cpu time spent up to now is 17.4 secs Computing kpt #: 22 total cpu time spent up to now is 18.1 secs Computing kpt #: 23 total cpu time spent up to now is 18.7 secs Computing kpt #: 24 total cpu time spent up to now is 19.3 secs Computing kpt #: 25 total cpu time spent up to now is 19.9 secs Computing kpt #: 26 total cpu time spent up to now is 20.5 secs Computing kpt #: 27 total cpu time spent up to now is 21.0 secs Computing kpt #: 28 total cpu time spent up to now is 21.5 secs Computing kpt #: 29 total cpu time spent up to now is 22.0 secs Computing kpt #: 30 total cpu time spent up to now is 22.5 secs Computing kpt #: 31 total cpu time spent up to now is 23.0 secs Computing kpt #: 32 total cpu time spent up to now is 23.5 secs Computing kpt #: 33 total cpu time spent up to now is 24.0 secs Computing kpt #: 34 total cpu time spent up to now is 24.5 secs Computing kpt #: 35 total cpu time spent up to now is 25.0 secs Computing kpt #: 36 total cpu time spent up to now is 25.5 secs Computing kpt #: 37 total cpu time spent up to now is 25.9 secs Computing kpt #: 38 total cpu time spent up to now is 26.4 secs Computing kpt #: 39 total cpu time spent up to now is 26.9 secs Computing kpt #: 40 total cpu time spent up to now is 27.4 secs Computing kpt #: 41 total cpu time spent up to now is 27.9 secs Computing kpt #: 42 total cpu time spent up to now is 28.4 secs Computing kpt #: 43 total cpu time spent up to now is 28.9 secs Computing kpt #: 44 total cpu time spent up to now is 29.4 secs Computing kpt #: 45 total cpu time spent up to now is 29.9 secs Computing kpt #: 46 total cpu time spent up to now is 30.5 secs Computing kpt #: 47 total cpu time spent up to now is 31.0 secs Computing kpt #: 48 total cpu time spent up to now is 31.5 secs Computing kpt #: 49 total cpu time spent up to now is 32.0 secs Computing kpt #: 50 total cpu time spent up to now is 32.6 secs Computing kpt #: 51 total cpu time spent up to now is 33.2 secs Computing kpt #: 52 total cpu time spent up to now is 33.8 secs Computing kpt #: 53 total cpu time spent up to now is 34.3 secs Computing kpt #: 54 total cpu time spent up to now is 34.9 secs Computing kpt #: 55 total cpu time spent up to now is 35.4 secs Computing kpt #: 56 total cpu time spent up to now is 35.9 secs Computing kpt #: 57 total cpu time spent up to now is 36.4 secs Computing kpt #: 58 total cpu time spent up to now is 36.9 secs Computing kpt #: 59 total cpu time spent up to now is 37.3 secs Computing kpt #: 60 total cpu time spent up to now is 37.8 secs Computing kpt #: 61 total cpu time spent up to now is 38.3 secs Computing kpt #: 62 total cpu time spent up to now is 38.7 secs Computing kpt #: 63 total cpu time spent up to now is 39.2 secs Computing kpt #: 64 total cpu time spent up to now is 39.8 secs Computing kpt #: 65 total cpu time spent up to now is 40.3 secs Computing kpt #: 66 total cpu time spent up to now is 40.9 secs Computing kpt #: 67 total cpu time spent up to now is 41.5 secs Computing kpt #: 68 total cpu time spent up to now is 42.1 secs Computing kpt #: 69 total cpu time spent up to now is 42.7 secs Computing kpt #: 70 total cpu time spent up to now is 43.3 secs Computing kpt #: 71 total cpu time spent up to now is 44.0 secs Computing kpt #: 72 total cpu time spent up to now is 44.6 secs Computing kpt #: 73 total cpu time spent up to now is 45.2 secs Computing kpt #: 74 total cpu time spent up to now is 45.9 secs Computing kpt #: 75 total cpu time spent up to now is 46.5 secs Computing kpt #: 76 total cpu time spent up to now is 47.2 secs Computing kpt #: 77 total cpu time spent up to now is 47.9 secs Computing kpt #: 78 total cpu time spent up to now is 48.6 secs Computing kpt #: 79 total cpu time spent up to now is 49.3 secs Computing kpt #: 80 total cpu time spent up to now is 50.0 secs Computing kpt #: 81 total cpu time spent up to now is 50.7 secs Computing kpt #: 82 total cpu time spent up to now is 51.4 secs Computing kpt #: 83 total cpu time spent up to now is 52.1 secs Computing kpt #: 84 total cpu time spent up to now is 52.8 secs Computing kpt #: 85 total cpu time spent up to now is 53.4 secs Computing kpt #: 86 total cpu time spent up to now is 54.0 secs Computing kpt #: 87 total cpu time spent up to now is 54.7 secs Computing kpt #: 88 total cpu time spent up to now is 55.3 secs Computing kpt #: 89 total cpu time spent up to now is 55.9 secs Computing kpt #: 90 total cpu time spent up to now is 56.5 secs Computing kpt #: 91 total cpu time spent up to now is 57.2 secs Computing kpt #: 92 total cpu time spent up to now is 57.9 secs Computing kpt #: 93 total cpu time spent up to now is 58.6 secs Computing kpt #: 94 total cpu time spent up to now is 59.5 secs Computing kpt #: 95 total cpu time spent up to now is 60.4 secs Computing kpt #: 96 total cpu time spent up to now is 61.2 secs Computing kpt #: 97 total cpu time spent up to now is 62.0 secs Computing kpt #: 98 total cpu time spent up to now is 62.7 secs Computing kpt #: 99 total cpu time spent up to now is 63.3 secs Computing kpt #: 100 total cpu time spent up to now is 63.9 secs Computing kpt #: 101 total cpu time spent up to now is 64.5 secs Computing kpt #: 102 total cpu time spent up to now is 65.1 secs Computing kpt #: 103 total cpu time spent up to now is 65.9 secs Computing kpt #: 104 total cpu time spent up to now is 66.4 secs Computing kpt #: 105 total cpu time spent up to now is 66.9 secs Computing kpt #: 106 total cpu time spent up to now is 67.4 secs Computing kpt #: 107 total cpu time spent up to now is 67.9 secs Computing kpt #: 108 total cpu time spent up to now is 68.3 secs Computing kpt #: 109 total cpu time spent up to now is 68.8 secs Computing kpt #: 110 total cpu time spent up to now is 69.2 secs Computing kpt #: 111 total cpu time spent up to now is 69.6 secs Computing kpt #: 112 total cpu time spent up to now is 70.0 secs Computing kpt #: 113 total cpu time spent up to now is 70.3 secs Computing kpt #: 114 total cpu time spent up to now is 70.7 secs Computing kpt #: 115 total cpu time spent up to now is 71.1 secs Computing kpt #: 116 total cpu time spent up to now is 71.5 secs Computing kpt #: 117 total cpu time spent up to now is 71.9 secs Computing kpt #: 118 total cpu time spent up to now is 72.3 secs Computing kpt #: 119 total cpu time spent up to now is 72.7 secs Computing kpt #: 120 total cpu time spent up to now is 73.1 secs Computing kpt #: 121 total cpu time spent up to now is 73.5 secs Computing kpt #: 122 total cpu time spent up to now is 73.9 secs Computing kpt #: 123 total cpu time spent up to now is 74.3 secs Computing kpt #: 124 total cpu time spent up to now is 74.7 secs Computing kpt #: 125 total cpu time spent up to now is 75.1 secs Computing kpt #: 126 total cpu time spent up to now is 75.5 secs Computing kpt #: 127 total cpu time spent up to now is 75.9 secs Computing kpt #: 128 total cpu time spent up to now is 76.2 secs Computing kpt #: 129 total cpu time spent up to now is 76.6 secs Computing kpt #: 130 total cpu time spent up to now is 77.0 secs Computing kpt #: 131 total cpu time spent up to now is 77.3 secs Computing kpt #: 132 total cpu time spent up to now is 77.7 secs Computing kpt #: 133 total cpu time spent up to now is 78.1 secs Computing kpt #: 134 total cpu time spent up to now is 78.4 secs Computing kpt #: 135 total cpu time spent up to now is 78.8 secs Computing kpt #: 136 total cpu time spent up to now is 79.2 secs Computing kpt #: 137 total cpu time spent up to now is 79.6 secs Computing kpt #: 138 total cpu time spent up to now is 80.0 secs Computing kpt #: 139 total cpu time spent up to now is 80.3 secs Computing kpt #: 140 total cpu time spent up to now is 80.8 secs Computing kpt #: 141 total cpu time spent up to now is 81.2 secs Computing kpt #: 142 total cpu time spent up to now is 81.6 secs Computing kpt #: 143 total cpu time spent up to now is 82.0 secs Computing kpt #: 144 total cpu time spent up to now is 82.4 secs Computing kpt #: 145 total cpu time spent up to now is 82.8 secs Computing kpt #: 146 total cpu time spent up to now is 83.2 secs Computing kpt #: 147 total cpu time spent up to now is 83.6 secs Computing kpt #: 148 total cpu time spent up to now is 84.0 secs Computing kpt #: 149 total cpu time spent up to now is 84.4 secs Computing kpt #: 150 total cpu time spent up to now is 84.8 secs Computing kpt #: 151 total cpu time spent up to now is 85.2 secs Computing kpt #: 152 total cpu time spent up to now is 85.7 secs Computing kpt #: 153 total cpu time spent up to now is 86.1 secs Computing kpt #: 154 total cpu time spent up to now is 86.6 secs Computing kpt #: 155 total cpu time spent up to now is 87.1 secs Computing kpt #: 156 total cpu time spent up to now is 87.6 secs Computing kpt #: 157 total cpu time spent up to now is 88.1 secs Computing kpt #: 158 total cpu time spent up to now is 88.6 secs Computing kpt #: 159 total cpu time spent up to now is 89.1 secs Computing kpt #: 160 total cpu time spent up to now is 89.6 secs Computing kpt #: 161 total cpu time spent up to now is 90.1 secs Computing kpt #: 162 total cpu time spent up to now is 90.6 secs Computing kpt #: 163 total cpu time spent up to now is 91.1 secs Computing kpt #: 164 total cpu time spent up to now is 91.6 secs Computing kpt #: 165 total cpu time spent up to now is 92.1 secs Computing kpt #: 166 total cpu time spent up to now is 92.6 secs Computing kpt #: 167 total cpu time spent up to now is 93.0 secs Computing kpt #: 168 total cpu time spent up to now is 93.5 secs Computing kpt #: 169 total cpu time spent up to now is 94.0 secs Computing kpt #: 170 total cpu time spent up to now is 94.4 secs Computing kpt #: 171 total cpu time spent up to now is 94.9 secs Computing kpt #: 172 total cpu time spent up to now is 95.3 secs Computing kpt #: 173 total cpu time spent up to now is 95.8 secs Computing kpt #: 174 total cpu time spent up to now is 96.2 secs Computing kpt #: 175 total cpu time spent up to now is 96.7 secs Computing kpt #: 176 total cpu time spent up to now is 97.1 secs Computing kpt #: 177 total cpu time spent up to now is 97.6 secs Computing kpt #: 178 total cpu time spent up to now is 98.1 secs Computing kpt #: 179 total cpu time spent up to now is 98.5 secs Computing kpt #: 180 total cpu time spent up to now is 99.0 secs Computing kpt #: 181 total cpu time spent up to now is 99.5 secs Computing kpt #: 182 total cpu time spent up to now is 100.0 secs Computing kpt #: 183 total cpu time spent up to now is 100.4 secs Computing kpt #: 184 total cpu time spent up to now is 100.9 secs Computing kpt #: 185 total cpu time spent up to now is 101.4 secs Computing kpt #: 186 total cpu time spent up to now is 101.8 secs Computing kpt #: 187 total cpu time spent up to now is 102.3 secs Computing kpt #: 188 total cpu time spent up to now is 102.7 secs Computing kpt #: 189 total cpu time spent up to now is 103.1 secs Computing kpt #: 190 total cpu time spent up to now is 103.6 secs Computing kpt #: 191 total cpu time spent up to now is 104.0 secs Computing kpt #: 192 total cpu time spent up to now is 104.4 secs Computing kpt #: 193 total cpu time spent up to now is 104.8 secs Computing kpt #: 194 total cpu time spent up to now is 105.3 secs Computing kpt #: 195 total cpu time spent up to now is 105.7 secs Computing kpt #: 196 total cpu time spent up to now is 106.2 secs Computing kpt #: 197 total cpu time spent up to now is 106.7 secs Computing kpt #: 198 total cpu time spent up to now is 107.1 secs Computing kpt #: 199 total cpu time spent up to now is 107.6 secs Computing kpt #: 200 total cpu time spent up to now is 108.1 secs Computing kpt #: 201 total cpu time spent up to now is 108.6 secs Computing kpt #: 202 total cpu time spent up to now is 109.1 secs Computing kpt #: 203 total cpu time spent up to now is 109.6 secs Computing kpt #: 204 total cpu time spent up to now is 110.1 secs Computing kpt #: 205 total cpu time spent up to now is 110.6 secs Computing kpt #: 206 total cpu time spent up to now is 111.1 secs Computing kpt #: 207 total cpu time spent up to now is 111.7 secs Computing kpt #: 208 total cpu time spent up to now is 112.2 secs Computing kpt #: 209 total cpu time spent up to now is 112.8 secs Computing kpt #: 210 total cpu time spent up to now is 113.3 secs Computing kpt #: 211 total cpu time spent up to now is 113.9 secs Computing kpt #: 212 total cpu time spent up to now is 114.4 secs Computing kpt #: 213 total cpu time spent up to now is 115.0 secs Computing kpt #: 214 total cpu time spent up to now is 115.5 secs Computing kpt #: 215 total cpu time spent up to now is 116.0 secs Computing kpt #: 216 total cpu time spent up to now is 116.4 secs Computing kpt #: 217 total cpu time spent up to now is 116.9 secs Computing kpt #: 218 total cpu time spent up to now is 117.4 secs Computing kpt #: 219 total cpu time spent up to now is 117.8 secs Computing kpt #: 220 total cpu time spent up to now is 118.3 secs Computing kpt #: 221 total cpu time spent up to now is 118.7 secs Computing kpt #: 222 total cpu time spent up to now is 119.1 secs Computing kpt #: 223 total cpu time spent up to now is 119.5 secs Computing kpt #: 224 total cpu time spent up to now is 119.9 secs Computing kpt #: 225 total cpu time spent up to now is 120.3 secs Computing kpt #: 226 total cpu time spent up to now is 120.7 secs Computing kpt #: 227 total cpu time spent up to now is 121.1 secs Computing kpt #: 228 total cpu time spent up to now is 121.5 secs Computing kpt #: 229 total cpu time spent up to now is 121.9 secs Computing kpt #: 230 total cpu time spent up to now is 122.3 secs Computing kpt #: 231 total cpu time spent up to now is 122.7 secs Computing kpt #: 232 total cpu time spent up to now is 123.1 secs Computing kpt #: 233 total cpu time spent up to now is 123.4 secs Computing kpt #: 234 total cpu time spent up to now is 123.8 secs Computing kpt #: 235 total cpu time spent up to now is 124.3 secs Computing kpt #: 236 total cpu time spent up to now is 124.7 secs Computing kpt #: 237 total cpu time spent up to now is 125.1 secs Computing kpt #: 238 total cpu time spent up to now is 125.5 secs Computing kpt #: 239 total cpu time spent up to now is 126.0 secs Computing kpt #: 240 total cpu time spent up to now is 126.4 secs Computing kpt #: 241 total cpu time spent up to now is 126.8 secs Computing kpt #: 242 total cpu time spent up to now is 127.2 secs Computing kpt #: 243 total cpu time spent up to now is 127.6 secs Computing kpt #: 244 total cpu time spent up to now is 128.0 secs Computing kpt #: 245 total cpu time spent up to now is 128.4 secs Computing kpt #: 246 total cpu time spent up to now is 128.8 secs Computing kpt #: 247 total cpu time spent up to now is 129.2 secs Computing kpt #: 248 total cpu time spent up to now is 129.6 secs Computing kpt #: 249 total cpu time spent up to now is 130.0 secs Computing kpt #: 250 total cpu time spent up to now is 130.4 secs Computing kpt #: 251 total cpu time spent up to now is 130.8 secs Computing kpt #: 252 total cpu time spent up to now is 131.2 secs Computing kpt #: 253 total cpu time spent up to now is 131.6 secs Computing kpt #: 254 total cpu time spent up to now is 132.0 secs Computing kpt #: 255 total cpu time spent up to now is 132.4 secs Computing kpt #: 256 total cpu time spent up to now is 132.8 secs Computing kpt #: 257 total cpu time spent up to now is 133.2 secs Computing kpt #: 258 total cpu time spent up to now is 133.6 secs Computing kpt #: 259 total cpu time spent up to now is 134.0 secs Computing kpt #: 260 total cpu time spent up to now is 134.4 secs Computing kpt #: 261 total cpu time spent up to now is 134.9 secs Computing kpt #: 262 total cpu time spent up to now is 135.3 secs Computing kpt #: 263 total cpu time spent up to now is 135.8 secs Computing kpt #: 264 total cpu time spent up to now is 136.3 secs Computing kpt #: 265 total cpu time spent up to now is 136.7 secs Computing kpt #: 266 total cpu time spent up to now is 137.2 secs Computing kpt #: 267 total cpu time spent up to now is 137.7 secs Computing kpt #: 268 total cpu time spent up to now is 138.1 secs Computing kpt #: 269 total cpu time spent up to now is 138.6 secs Computing kpt #: 270 total cpu time spent up to now is 139.0 secs Computing kpt #: 271 total cpu time spent up to now is 139.4 secs Computing kpt #: 272 total cpu time spent up to now is 139.8 secs Computing kpt #: 273 total cpu time spent up to now is 140.2 secs Computing kpt #: 274 total cpu time spent up to now is 140.6 secs Computing kpt #: 275 total cpu time spent up to now is 141.0 secs Computing kpt #: 276 total cpu time spent up to now is 141.5 secs Computing kpt #: 277 total cpu time spent up to now is 141.8 secs Computing kpt #: 278 total cpu time spent up to now is 142.2 secs Computing kpt #: 279 total cpu time spent up to now is 142.6 secs Computing kpt #: 280 total cpu time spent up to now is 143.0 secs Computing kpt #: 281 total cpu time spent up to now is 143.3 secs Computing kpt #: 282 total cpu time spent up to now is 143.7 secs Computing kpt #: 283 total cpu time spent up to now is 144.1 secs Computing kpt #: 284 total cpu time spent up to now is 144.5 secs Computing kpt #: 285 total cpu time spent up to now is 144.8 secs Computing kpt #: 286 total cpu time spent up to now is 145.2 secs Computing kpt #: 287 total cpu time spent up to now is 145.6 secs Computing kpt #: 288 total cpu time spent up to now is 146.0 secs Computing kpt #: 289 total cpu time spent up to now is 146.4 secs Computing kpt #: 290 total cpu time spent up to now is 146.8 secs Computing kpt #: 291 total cpu time spent up to now is 147.2 secs Computing kpt #: 292 total cpu time spent up to now is 147.6 secs Computing kpt #: 293 total cpu time spent up to now is 148.0 secs Computing kpt #: 294 total cpu time spent up to now is 148.3 secs Computing kpt #: 295 total cpu time spent up to now is 148.7 secs Computing kpt #: 296 total cpu time spent up to now is 149.1 secs Computing kpt #: 297 total cpu time spent up to now is 149.6 secs Computing kpt #: 298 total cpu time spent up to now is 150.0 secs ethr = 2.78E-08, avg # of iterations = 29.8 total cpu time spent up to now is 150.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3501 PWs) bands (ev): -25.0921 -25.0921 -25.0469 -25.0469 -8.9622 -8.9622 -8.7104 -8.7104 -8.6999 -8.6999 -8.5511 -8.5511 -8.4625 -8.4625 -8.4401 -8.4401 -8.4224 -8.4224 -1.2682 -1.2682 -0.1796 -0.1796 2.1735 2.1735 2.2240 2.2240 2.2459 2.2459 2.5603 2.5603 3.0111 3.0111 3.5298 3.5298 4.1981 4.1981 8.8745 8.8745 9.3449 9.3449 10.0394 10.0394 10.4732 10.4732 k = 0.0139 0.0080-0.0000 ( 3495 PWs) bands (ev): -25.0920 -25.0920 -25.0469 -25.0469 -8.9623 -8.9623 -8.7137 -8.7137 -8.6971 -8.6971 -8.5511 -8.5511 -8.4668 -8.4668 -8.4385 -8.4385 -8.4192 -8.4192 -1.2681 -1.2681 -0.1794 -0.1794 2.1719 2.1719 2.2207 2.2207 2.2503 2.2503 2.5603 2.5603 3.0126 3.0126 3.5298 3.5298 4.1981 4.1981 8.8696 8.8696 9.3430 9.3430 10.0390 10.0390 10.4754 10.4754 k = 0.0278 0.0160-0.0000 ( 3495 PWs) bands (ev): -25.0920 -25.0920 -25.0469 -25.0469 -8.9627 -8.9627 -8.7200 -8.7200 -8.6922 -8.6922 -8.5511 -8.5511 -8.4756 -8.4756 -8.4368 -8.4368 -8.4104 -8.4104 -1.2679 -1.2679 -0.1787 -0.1787 2.1669 2.1669 2.2153 2.2153 2.2592 2.2592 2.5603 2.5603 3.0172 3.0172 3.5299 3.5299 4.1983 4.1983 8.8549 8.8549 9.3373 9.3373 10.0380 10.0380 10.4816 10.4816 k = 0.0417 0.0241-0.0000 ( 3495 PWs) bands (ev): -25.0919 -25.0919 -25.0470 -25.0470 -8.9635 -8.9635 -8.7272 -8.7272 -8.6873 -8.6873 -8.5510 -8.5510 -8.4854 -8.4854 -8.4361 -8.4361 -8.3986 -8.3986 -1.2675 -1.2675 -0.1776 -0.1776 2.1584 2.1584 2.2112 2.2112 2.2690 2.2690 2.5603 2.5603 3.0248 3.0248 3.5300 3.5300 4.1986 4.1986 8.8310 8.8310 9.3281 9.3281 10.0360 10.0360 10.4898 10.4898 k = 0.0556 0.0321-0.0000 ( 3499 PWs) bands (ev): -25.0917 -25.0917 -25.0471 -25.0471 -8.9645 -8.9645 -8.7350 -8.7350 -8.6826 -8.6826 -8.5510 -8.5510 -8.4950 -8.4950 -8.4358 -8.4358 -8.3855 -8.3855 -1.2669 -1.2669 -0.1761 -0.1761 2.1471 2.1471 2.2092 2.2092 2.2786 2.2786 2.5603 2.5603 3.0352 3.0352 3.5301 3.5301 4.1989 4.1989 8.7986 8.7986 9.3155 9.3155 10.0328 10.0328 10.4951 10.4951 k = 0.0694 0.0401-0.0000 ( 3495 PWs) bands (ev): -25.0915 -25.0915 -25.0473 -25.0473 -8.9660 -8.9660 -8.7431 -8.7431 -8.6784 -8.6784 -8.5510 -8.5510 -8.5041 -8.5041 -8.4357 -8.4357 -8.3716 -8.3716 -1.2661 -1.2661 -0.1742 -0.1742 2.1339 2.1339 2.2086 2.2086 2.2877 2.2877 2.5604 2.5604 3.0484 3.0484 3.5302 3.5302 4.1994 4.1994 8.7585 8.7585 9.3000 9.3000 10.0279 10.0279 10.4911 10.4911 k = 0.0833 0.0481-0.0000 ( 3499 PWs) bands (ev): -25.0913 -25.0913 -25.0475 -25.0475 -8.9678 -8.9678 -8.7515 -8.7515 -8.6745 -8.6745 -8.5511 -8.5511 -8.5122 -8.5122 -8.4358 -8.4358 -8.3575 -8.3575 -1.2652 -1.2652 -0.1718 -0.1718 2.1197 2.1197 2.2090 2.2090 2.2962 2.2962 2.5604 2.5604 3.0641 3.0641 3.5304 3.5304 4.2000 4.2000 8.7117 8.7117 9.2820 9.2820 10.0205 10.0205 10.4813 10.4813 k = 0.0972 0.0561-0.0000 ( 3503 PWs) bands (ev): -25.0910 -25.0910 -25.0477 -25.0477 -8.9702 -8.9702 -8.7600 -8.7600 -8.6709 -8.6709 -8.5516 -8.5516 -8.5193 -8.5193 -8.4359 -8.4359 -8.3432 -8.3432 -1.2642 -1.2642 -0.1691 -0.1691 2.1049 2.1049 2.2102 2.2102 2.3039 2.3039 2.5604 2.5604 3.0822 3.0822 3.5306 3.5306 4.2007 4.2007 8.6593 8.6593 9.2620 9.2620 10.0100 10.0100 10.4720 10.4720 k = 0.1111 0.0642-0.0000 ( 3515 PWs) bands (ev): -25.0908 -25.0908 -25.0480 -25.0480 -8.9731 -8.9731 -8.7685 -8.7685 -8.6678 -8.6678 -8.5525 -8.5525 -8.5250 -8.5250 -8.4361 -8.4361 -8.3289 -8.3289 -1.2630 -1.2630 -0.1660 -0.1660 2.0899 2.0899 2.2118 2.2118 2.3108 2.3108 2.5605 2.5605 3.1024 3.1024 3.5308 3.5308 4.2015 4.2015 8.6022 8.6022 9.2404 9.2404 9.9958 9.9958 10.4662 10.4662 k = 0.1250 0.0722-0.0000 ( 3519 PWs) bands (ev): -25.0904 -25.0904 -25.0483 -25.0483 -8.9767 -8.9767 -8.7768 -8.7768 -8.6649 -8.6649 -8.5541 -8.5541 -8.5292 -8.5292 -8.4363 -8.4363 -8.3148 -8.3148 -1.2617 -1.2617 -0.1625 -0.1625 2.0750 2.0750 2.2139 2.2139 2.3170 2.3170 2.5605 2.5605 3.1244 3.1244 3.5310 3.5310 4.2024 4.2024 8.5413 8.5413 9.2176 9.2176 9.9775 9.9775 10.4654 10.4654 k = 0.1389 0.0802-0.0000 ( 3527 PWs) bands (ev): -25.0901 -25.0901 -25.0486 -25.0486 -8.9809 -8.9809 -8.7847 -8.7847 -8.6624 -8.6624 -8.5565 -8.5565 -8.5319 -8.5319 -8.4365 -8.4365 -8.3008 -8.3008 -1.2603 -1.2603 -0.1588 -0.1588 2.0603 2.0603 2.2163 2.2163 2.3224 2.3224 2.5605 2.5605 3.1481 3.1481 3.5313 3.5313 4.2035 4.2035 8.4776 8.4776 9.1940 9.1940 9.9552 9.9552 10.4701 10.4701 k = 0.1528 0.0882-0.0000 ( 3533 PWs) bands (ev): -25.0896 -25.0896 -25.0490 -25.0490 -8.9859 -8.9859 -8.7921 -8.7921 -8.6603 -8.6603 -8.5595 -8.5595 -8.5331 -8.5331 -8.4368 -8.4368 -8.2871 -8.2871 -1.2588 -1.2588 -0.1547 -0.1547 2.0460 2.0460 2.2190 2.2190 2.3272 2.3272 2.5606 2.5606 3.1733 3.1733 3.5315 3.5315 4.2046 4.2046 8.4119 8.4119 9.1699 9.1699 9.9293 9.9293 10.4800 10.4800 k = 0.1667 0.0962-0.0000 ( 3547 PWs) bands (ev): -25.0892 -25.0892 -25.0494 -25.0494 -8.9917 -8.9917 -8.7989 -8.7989 -8.6584 -8.6584 -8.5628 -8.5628 -8.5333 -8.5333 -8.4371 -8.4371 -8.2738 -8.2738 -1.2572 -1.2572 -0.1504 -0.1504 2.0323 2.0323 2.2220 2.2220 2.3313 2.3313 2.5606 2.5606 3.1995 3.1995 3.5318 3.5318 4.2058 4.2058 8.3447 8.3447 9.1456 9.1456 9.9004 9.9004 10.4946 10.4946 k = 0.1806 0.1042-0.0000 ( 3549 PWs) bands (ev): -25.0887 -25.0887 -25.0498 -25.0498 -8.9982 -8.9982 -8.8050 -8.8050 -8.6569 -8.6569 -8.5661 -8.5661 -8.5328 -8.5328 -8.4374 -8.4374 -8.2608 -8.2608 -1.2555 -1.2555 -0.1458 -0.1458 2.0191 2.0191 2.2251 2.2251 2.3348 2.3348 2.5606 2.5606 3.2267 3.2267 3.5322 3.5322 4.2071 4.2071 8.2768 8.2768 9.1213 9.1213 9.8691 9.8691 10.5129 10.5129 k = 0.1944 0.1123-0.0000 ( 3555 PWs) bands (ev): -25.0882 -25.0882 -25.0503 -25.0503 -9.0055 -9.0055 -8.8103 -8.8103 -8.6556 -8.6556 -8.5693 -8.5693 -8.5318 -8.5318 -8.4377 -8.4377 -8.2483 -8.2483 -1.2538 -1.2538 -0.1411 -0.1411 2.0066 2.0066 2.2284 2.2284 2.3378 2.3378 2.5606 2.5606 3.2544 3.2544 3.5326 3.5326 4.2085 4.2085 8.2087 8.2087 9.0971 9.0971 9.8363 9.8363 10.5339 10.5339 k = 0.2083 0.1203-0.0000 ( 3549 PWs) bands (ev): -25.0876 -25.0876 -25.0507 -25.0507 -9.0134 -9.0134 -8.8149 -8.8149 -8.6545 -8.6545 -8.5722 -8.5722 -8.5304 -8.5304 -8.4380 -8.4380 -8.2362 -8.2362 -1.2519 -1.2519 -0.1362 -0.1362 1.9949 1.9949 2.2319 2.2319 2.3404 2.3404 2.5606 2.5606 3.2826 3.2826 3.5332 3.5332 4.2100 4.2100 8.1409 8.1409 9.0733 9.0733 9.8024 9.8024 10.5562 10.5562 k = 0.2222 0.1283-0.0000 ( 3551 PWs) bands (ev): -25.0870 -25.0870 -25.0512 -25.0512 -9.0219 -9.0219 -8.8186 -8.8186 -8.6537 -8.6537 -8.5749 -8.5749 -8.5287 -8.5287 -8.4383 -8.4383 -8.2246 -8.2246 -1.2501 -1.2501 -0.1312 -0.1312 1.9840 1.9840 2.2355 2.2355 2.3424 2.3424 2.5605 2.5605 3.3107 3.3107 3.5339 3.5339 4.2116 4.2116 8.0738 8.0738 9.0499 9.0499 9.7682 9.7682 10.5784 10.5784 k = 0.2361 0.1363-0.0000 ( 3555 PWs) bands (ev): -25.0864 -25.0864 -25.0517 -25.0517 -9.0308 -9.0308 -8.8217 -8.8217 -8.6531 -8.6531 -8.5773 -8.5773 -8.5268 -8.5268 -8.4387 -8.4387 -8.2135 -8.2135 -1.2482 -1.2482 -0.1261 -0.1261 1.9738 1.9738 2.2391 2.2391 2.3441 2.3441 2.5605 2.5605 3.3386 3.3386 3.5350 3.5350 4.2133 4.2133 8.0078 8.0078 9.0271 9.0271 9.7339 9.7339 10.5986 10.5986 k = 0.2500 0.1443-0.0000 ( 3555 PWs) bands (ev): -25.0858 -25.0858 -25.0523 -25.0523 -9.0401 -9.0401 -8.8241 -8.8241 -8.6527 -8.6527 -8.5795 -8.5795 -8.5248 -8.5248 -8.4390 -8.4390 -8.2030 -8.2030 -1.2463 -1.2463 -0.1210 -0.1210 1.9645 1.9645 2.2428 2.2428 2.3455 2.3455 2.5604 2.5604 3.3658 3.3658 3.5366 3.5366 4.2151 4.2151 7.9432 7.9432 9.0048 9.0048 9.7000 9.7000 10.6150 10.6150 k = 0.2639 0.1524-0.0000 ( 3551 PWs) bands (ev): -25.0851 -25.0851 -25.0528 -25.0528 -9.0497 -9.0497 -8.8259 -8.8259 -8.6525 -8.6525 -8.5816 -8.5816 -8.5226 -8.5226 -8.4394 -8.4394 -8.1931 -8.1931 -1.2444 -1.2444 -0.1158 -0.1158 1.9561 1.9561 2.2466 2.2466 2.3465 2.3465 2.5603 2.5603 3.3919 3.3919 3.5390 3.5390 4.2169 4.2169 7.8804 7.8804 8.9832 8.9832 9.6667 9.6667 10.6259 10.6259 k = 0.2778 0.1604-0.0000 ( 3547 PWs) bands (ev): -25.0845 -25.0845 -25.0534 -25.0534 -9.0592 -9.0592 -8.8272 -8.8272 -8.6523 -8.6523 -8.5834 -8.5834 -8.5203 -8.5203 -8.4398 -8.4398 -8.1837 -8.1837 -1.2425 -1.2425 -0.1107 -0.1107 1.9484 1.9484 2.2503 2.2503 2.3473 2.3473 2.5602 2.5602 3.4161 3.4161 3.5427 3.5427 4.2189 4.2189 7.8196 7.8196 8.9624 8.9624 9.6344 9.6344 10.6300 10.6300 k = 0.2917 0.1684-0.0000 ( 3535 PWs) bands (ev): -25.0837 -25.0837 -25.0539 -25.0539 -9.0687 -9.0687 -8.8281 -8.8281 -8.6523 -8.6523 -8.5850 -8.5850 -8.5178 -8.5178 -8.4401 -8.4401 -8.1749 -8.1749 -1.2407 -1.2407 -0.1057 -0.1057 1.9416 1.9416 2.2540 2.2540 2.3478 2.3478 2.5600 2.5600 3.4376 3.4376 3.5484 3.5484 4.2210 4.2210 7.7612 7.7612 8.9423 8.9423 9.6033 9.6033 10.6274 10.6274 k = 0.3056 0.1764-0.0000 ( 3535 PWs) bands (ev): -25.0830 -25.0830 -25.0545 -25.0545 -9.0781 -9.0781 -8.8286 -8.8286 -8.6523 -8.6523 -8.5866 -8.5866 -8.5154 -8.5154 -8.4405 -8.4405 -8.1668 -8.1668 -1.2389 -1.2389 -0.1008 -0.1008 1.9356 1.9356 2.2576 2.2576 2.3482 2.3482 2.5598 2.5598 3.4555 3.4555 3.5568 3.5568 4.2232 4.2232 7.7052 7.7052 8.9231 8.9231 9.5735 9.5735 10.6189 10.6189 k = 0.3194 0.1844-0.0000 ( 3535 PWs) bands (ev): -25.0823 -25.0823 -25.0552 -25.0552 -9.0872 -9.0872 -8.8289 -8.8289 -8.6524 -8.6524 -8.5880 -8.5880 -8.5129 -8.5129 -8.4409 -8.4409 -8.1592 -8.1592 -1.2372 -1.2372 -0.0960 -0.0960 1.9303 1.9303 2.2611 2.2611 2.3483 2.3483 2.5596 2.5596 3.4690 3.4690 3.5685 3.5685 4.2254 4.2254 7.6520 7.6520 8.9047 8.9047 9.5452 9.5452 10.6059 10.6059 k = 0.3333 0.1925-0.0000 ( 3527 PWs) bands (ev): -25.0816 -25.0816 -25.0558 -25.0558 -9.0960 -9.0960 -8.8289 -8.8289 -8.6525 -8.6525 -8.5893 -8.5893 -8.5105 -8.5105 -8.4413 -8.4413 -8.1522 -8.1522 -1.2355 -1.2355 -0.0914 -0.0914 1.9257 1.9257 2.2646 2.2646 2.3483 2.3483 2.5594 2.5594 3.4783 3.4783 3.5832 3.5832 4.2277 4.2277 7.6018 7.6018 8.8874 8.8874 9.5185 9.5185 10.5901 10.5901 k = 0.3472 0.2005-0.0000 ( 3531 PWs) bands (ev): -25.0809 -25.0809 -25.0564 -25.0564 -9.1043 -9.1043 -8.8288 -8.8288 -8.6526 -8.6526 -8.5905 -8.5905 -8.5081 -8.5081 -8.4417 -8.4417 -8.1458 -8.1458 -1.2340 -1.2340 -0.0871 -0.0871 1.9218 1.9218 2.2678 2.2678 2.3482 2.3482 2.5592 2.5592 3.4842 3.4842 3.5998 3.5998 4.2300 4.2300 7.5547 7.5547 8.8711 8.8711 9.4936 9.4936 10.5726 10.5726 k = 0.3611 0.2085-0.0000 ( 3537 PWs) bands (ev): -25.0802 -25.0802 -25.0570 -25.0570 -9.1121 -9.1121 -8.8286 -8.8286 -8.6528 -8.6528 -8.5917 -8.5917 -8.5058 -8.5058 -8.4421 -8.4421 -8.1400 -8.1400 -1.2325 -1.2325 -0.0830 -0.0830 1.9184 1.9184 2.2709 2.2709 2.3480 2.3480 2.5589 2.5589 3.4879 3.4879 3.6172 3.6172 4.2323 4.2323 7.5109 7.5109 8.8559 8.8559 9.4705 9.4705 10.5546 10.5546 k = 0.3750 0.2165-0.0000 ( 3541 PWs) bands (ev): -25.0795 -25.0795 -25.0577 -25.0577 -9.1193 -9.1193 -8.8282 -8.8282 -8.6529 -8.6529 -8.5927 -8.5927 -8.5035 -8.5035 -8.4425 -8.4425 -8.1348 -8.1348 -1.2312 -1.2312 -0.0792 -0.0792 1.9157 1.9157 2.2737 2.2737 2.3477 2.3477 2.5586 2.5586 3.4900 3.4900 3.6345 3.6345 4.2346 4.2346 7.4707 7.4707 8.8418 8.8418 9.4494 9.4494 10.5368 10.5368 k = 0.3889 0.2245-0.0000 ( 3537 PWs) bands (ev): -25.0788 -25.0788 -25.0583 -25.0583 -9.1259 -9.1259 -8.8279 -8.8279 -8.6530 -8.6530 -8.5936 -8.5936 -8.5014 -8.5014 -8.4428 -8.4428 -8.1302 -8.1302 -1.2299 -1.2299 -0.0757 -0.0757 1.9134 1.9134 2.2763 2.2763 2.3474 2.3474 2.5584 2.5584 3.4912 3.4912 3.6510 3.6510 4.2368 4.2368 7.4342 7.4342 8.8291 8.8291 9.4303 9.4303 10.5200 10.5200 k = 0.4028 0.2325-0.0000 ( 3545 PWs) bands (ev): -25.0782 -25.0782 -25.0589 -25.0589 -9.1319 -9.1319 -8.8275 -8.8275 -8.6531 -8.6531 -8.5945 -8.5945 -8.4995 -8.4995 -8.4432 -8.4432 -8.1261 -8.1261 -1.2288 -1.2288 -0.0726 -0.0726 1.9116 1.9116 2.2787 2.2787 2.3471 2.3471 2.5581 2.5581 3.4918 3.4918 3.6662 3.6662 4.2389 4.2389 7.4016 7.4016 8.8176 8.8176 9.4133 9.4133 10.5044 10.5044 k = 0.4167 0.2406-0.0000 ( 3539 PWs) bands (ev): -25.0776 -25.0776 -25.0594 -25.0594 -9.1371 -9.1371 -8.8271 -8.8271 -8.6532 -8.6532 -8.5952 -8.5952 -8.4978 -8.4978 -8.4435 -8.4435 -8.1226 -8.1226 -1.2278 -1.2278 -0.0698 -0.0698 1.9101 1.9101 2.2808 2.2808 2.3468 2.3468 2.5578 2.5578 3.4920 3.4920 3.6798 3.6798 4.2409 4.2409 7.3730 7.3730 8.8075 8.8075 9.3984 9.3984 10.4905 10.4905 k = 0.4306 0.2486-0.0000 ( 3539 PWs) bands (ev): -25.0771 -25.0771 -25.0599 -25.0599 -9.1415 -9.1415 -8.8267 -8.8267 -8.6533 -8.6533 -8.5959 -8.5959 -8.4962 -8.4962 -8.4438 -8.4438 -8.1197 -8.1197 -1.2270 -1.2270 -0.0674 -0.0674 1.9090 1.9090 2.2827 2.2827 2.3464 2.3464 2.5576 2.5576 3.4920 3.4920 3.6917 3.6917 4.2427 4.2427 7.3485 7.3485 8.7988 8.7988 9.3857 9.3857 10.4784 10.4784 k = 0.4444 0.2566-0.0000 ( 3551 PWs) bands (ev): -25.0766 -25.0766 -25.0604 -25.0604 -9.1453 -9.1453 -8.8264 -8.8264 -8.6533 -8.6533 -8.5965 -8.5965 -8.4949 -8.4949 -8.4441 -8.4441 -8.1173 -8.1173 -1.2263 -1.2263 -0.0654 -0.0654 1.9082 1.9082 2.2842 2.2842 2.3462 2.3462 2.5574 2.5574 3.4919 3.4919 3.7016 3.7016 4.2442 4.2442 7.3283 7.3283 8.7916 8.7916 9.3753 9.3753 10.4683 10.4683 k = 0.4583 0.2646-0.0000 ( 3556 PWs) bands (ev): -25.0762 -25.0762 -25.0607 -25.0607 -9.1482 -9.1482 -8.8262 -8.8262 -8.6534 -8.6534 -8.5969 -8.5969 -8.4939 -8.4939 -8.4443 -8.4443 -8.1154 -8.1154 -1.2258 -1.2258 -0.0639 -0.0639 1.9075 1.9075 2.2853 2.2853 2.3459 2.3459 2.5572 2.5572 3.4917 3.4917 3.7094 3.7094 4.2455 4.2455 7.3125 7.3125 8.7860 8.7860 9.3672 9.3672 10.4603 10.4603 k = 0.4722 0.2726-0.0000 ( 3540 PWs) bands (ev): -25.0759 -25.0759 -25.0610 -25.0610 -9.1502 -9.1502 -8.8260 -8.8260 -8.6534 -8.6534 -8.5972 -8.5972 -8.4932 -8.4932 -8.4444 -8.4444 -8.1141 -8.1141 -1.2253 -1.2253 -0.0628 -0.0628 1.9071 1.9071 2.2862 2.2862 2.3458 2.3458 2.5571 2.5571 3.4916 3.4916 3.7150 3.7150 4.2464 4.2464 7.3012 7.3012 8.7820 8.7820 9.3614 9.3614 10.4546 10.4546 k = 0.4861 0.2807-0.0000 ( 3546 PWs) bands (ev): -25.0757 -25.0757 -25.0612 -25.0612 -9.1515 -9.1515 -8.8258 -8.8258 -8.6534 -8.6534 -8.5974 -8.5974 -8.4927 -8.4927 -8.4445 -8.4445 -8.1133 -8.1133 -1.2251 -1.2251 -0.0621 -0.0621 1.9068 1.9068 2.2867 2.2867 2.3456 2.3456 2.5570 2.5570 3.4915 3.4915 3.7184 3.7184 4.2470 4.2470 7.2943 7.2943 8.7795 8.7795 9.3579 9.3579 10.4511 10.4511 k = 0.5000 0.2887-0.0000 ( 3548 PWs) bands (ev): -25.0756 -25.0756 -25.0612 -25.0612 -9.1519 -9.1519 -8.8258 -8.8258 -8.6534 -8.6534 -8.5974 -8.5974 -8.4926 -8.4926 -8.4445 -8.4445 -8.1130 -8.1130 -1.2250 -1.2250 -0.0619 -0.0619 1.9068 1.9068 2.2869 2.2869 2.3456 2.3456 2.5570 2.5570 3.4915 3.4915 3.7195 3.7195 4.2472 4.2472 7.2920 7.2920 8.7787 8.7787 9.3567 9.3567 10.4500 10.4500 k = 0.5000 0.2887-0.0000 ( 3548 PWs) bands (ev): -25.0756 -25.0756 -25.0612 -25.0612 -9.1519 -9.1519 -8.8258 -8.8258 -8.6534 -8.6534 -8.5974 -8.5974 -8.4926 -8.4926 -8.4445 -8.4445 -8.1130 -8.1130 -1.2250 -1.2250 -0.0619 -0.0619 1.9068 1.9068 2.2869 2.2869 2.3456 2.3456 2.5570 2.5570 3.4915 3.4915 3.7195 3.7195 4.2472 4.2472 7.2920 7.2920 8.7787 8.7787 9.3567 9.3567 10.4500 10.4500 k = 0.4921 0.3024-0.0000 ( 3548 PWs) bands (ev): -25.0756 -25.0756 -25.0612 -25.0612 -9.1521 -9.1521 -8.8256 -8.8256 -8.6538 -8.6538 -8.5969 -8.5969 -8.4926 -8.4926 -8.4446 -8.4446 -8.1130 -8.1130 -1.2250 -1.2250 -0.0618 -0.0618 1.9072 1.9072 2.2859 2.2859 2.3459 2.3459 2.5571 2.5571 3.4918 3.4918 3.7197 3.7197 4.2469 4.2469 7.2931 7.2931 8.7722 8.7722 9.3618 9.3618 10.4511 10.4511 k = 0.4841 0.3162-0.0000 ( 3556 PWs) bands (ev): -25.0756 -25.0756 -25.0613 -25.0613 -9.1528 -9.1528 -8.8252 -8.8252 -8.6550 -8.6550 -8.5954 -8.5954 -8.4927 -8.4927 -8.4447 -8.4447 -8.1130 -8.1130 -1.2250 -1.2250 -0.0615 -0.0615 1.9085 1.9085 2.2831 2.2831 2.3469 2.3469 2.5575 2.5575 3.4927 3.4927 3.7203 3.7203 4.2463 4.2463 7.2961 7.2961 8.7534 8.7534 9.3764 9.3764 10.4543 10.4543 k = 0.4762 0.3299-0.0000 ( 3556 PWs) bands (ev): -25.0755 -25.0755 -25.0614 -25.0614 -9.1538 -9.1538 -8.8244 -8.8244 -8.6569 -8.6569 -8.5931 -8.5931 -8.4930 -8.4930 -8.4448 -8.4448 -8.1129 -8.1129 -1.2249 -1.2249 -0.0610 -0.0610 1.9107 1.9107 2.2786 2.2786 2.3483 2.3483 2.5580 2.5580 3.4941 3.4941 3.7214 3.7214 4.2452 4.2452 7.3013 7.3013 8.7239 8.7239 9.3988 9.3988 10.4596 10.4596 k = 0.4683 0.3437-0.0000 ( 3554 PWs) bands (ev): -25.0754 -25.0754 -25.0615 -25.0615 -9.1553 -9.1553 -8.8234 -8.8234 -8.6592 -8.6592 -8.5900 -8.5900 -8.4933 -8.4933 -8.4450 -8.4450 -8.1128 -8.1128 -1.2248 -1.2248 -0.0604 -0.0604 1.9138 1.9138 2.2727 2.2727 2.3500 2.3500 2.5587 2.5587 3.4961 3.4961 3.7228 3.7228 4.2438 4.2438 7.3084 7.3084 8.6860 8.6860 9.4273 9.4273 10.4666 10.4666 k = 0.4603 0.3574-0.0000 ( 3552 PWs) bands (ev): -25.0752 -25.0752 -25.0616 -25.0616 -9.1571 -9.1571 -8.8221 -8.8221 -8.6619 -8.6619 -8.5865 -8.5865 -8.4937 -8.4937 -8.4453 -8.4453 -8.1126 -8.1126 -1.2246 -1.2246 -0.0596 -0.0596 1.9177 1.9177 2.2655 2.2655 2.3519 2.3519 2.5596 2.5596 3.4985 3.4985 3.7247 3.7247 4.2419 4.2419 7.3177 7.3177 8.6415 8.6415 9.4600 9.4600 10.4749 10.4749 k = 0.4524 0.3712-0.0000 ( 3552 PWs) bands (ev): -25.0750 -25.0750 -25.0618 -25.0618 -9.1592 -9.1592 -8.8206 -8.8206 -8.6649 -8.6649 -8.5825 -8.5825 -8.4943 -8.4943 -8.4456 -8.4456 -8.1125 -8.1125 -1.2244 -1.2244 -0.0587 -0.0587 1.9225 1.9225 2.2572 2.2572 2.3538 2.3538 2.5606 2.5606 3.5013 3.5013 3.7270 3.7270 4.2398 4.2398 7.3290 7.3290 8.5921 8.5921 9.4955 9.4955 10.4840 10.4840 k = 0.4444 0.3849-0.0000 ( 3548 PWs) bands (ev): -25.0748 -25.0748 -25.0620 -25.0620 -9.1615 -9.1615 -8.8189 -8.8189 -8.6679 -8.6679 -8.5783 -8.5783 -8.4949 -8.4949 -8.4459 -8.4459 -8.1123 -8.1123 -1.2242 -1.2242 -0.0577 -0.0577 1.9281 1.9281 2.2480 2.2480 2.3557 2.3557 2.5616 2.5616 3.5043 3.5043 3.7298 3.7298 4.2373 4.2373 7.3424 7.3424 8.5390 8.5390 9.5331 9.5331 10.4933 10.4933 k = 0.4365 0.3986-0.0000 ( 3540 PWs) bands (ev): -25.0745 -25.0745 -25.0623 -25.0623 -9.1640 -9.1640 -8.8171 -8.8171 -8.6710 -8.6710 -8.5739 -8.5739 -8.4956 -8.4956 -8.4462 -8.4462 -8.1120 -8.1120 -1.2239 -1.2239 -0.0565 -0.0565 1.9345 1.9345 2.2380 2.2380 2.3575 2.3575 2.5627 2.5627 3.5076 3.5076 3.7330 3.7330 4.2345 4.2345 7.3580 7.3580 8.4833 8.4833 9.5719 9.5719 10.5021 10.5021 k = 0.4286 0.4124-0.0000 ( 3540 PWs) bands (ev): -25.0742 -25.0742 -25.0625 -25.0625 -9.1668 -9.1668 -8.8151 -8.8151 -8.6740 -8.6740 -8.5695 -8.5695 -8.4965 -8.4965 -8.4466 -8.4466 -8.1118 -8.1118 -1.2237 -1.2237 -0.0553 -0.0553 1.9416 1.9416 2.2273 2.2273 2.3593 2.3593 2.5638 2.5638 3.5109 3.5109 3.7366 3.7366 4.2315 4.2315 7.3756 7.3756 8.4257 8.4257 9.6117 9.6117 10.5098 10.5098 k = 0.4206 0.4261-0.0000 ( 3546 PWs) bands (ev): -25.0739 -25.0739 -25.0629 -25.0629 -9.1696 -9.1696 -8.8131 -8.8131 -8.6770 -8.6770 -8.5650 -8.5650 -8.4975 -8.4975 -8.4469 -8.4469 -8.1115 -8.1115 -1.2234 -1.2234 -0.0540 -0.0540 1.9494 1.9494 2.2160 2.2160 2.3609 2.3609 2.5648 2.5648 3.5142 3.5142 3.7406 3.7406 4.2284 4.2284 7.3953 7.3953 8.3668 8.3668 9.6521 9.6521 10.5155 10.5155 k = 0.4127 0.4399-0.0000 ( 3550 PWs) bands (ev): -25.0735 -25.0735 -25.0632 -25.0632 -9.1724 -9.1724 -8.8111 -8.8111 -8.6798 -8.6798 -8.5606 -8.5606 -8.4985 -8.4985 -8.4473 -8.4473 -8.1112 -8.1112 -1.2231 -1.2231 -0.0527 -0.0527 1.9579 1.9579 2.2042 2.2042 2.3625 2.3625 2.5658 2.5658 3.5175 3.5175 3.7449 3.7449 4.2251 4.2251 7.4171 7.4171 8.3073 8.3073 9.6930 9.6930 10.5186 10.5186 k = 0.4048 0.4536-0.0000 ( 3554 PWs) bands (ev): -25.0731 -25.0731 -25.0636 -25.0636 -9.1752 -9.1752 -8.8091 -8.8091 -8.6825 -8.6825 -8.5562 -8.5562 -8.4997 -8.4997 -8.4476 -8.4476 -8.1109 -8.1109 -1.2228 -1.2228 -0.0514 -0.0514 1.9670 1.9670 2.1921 2.1921 2.3639 2.3639 2.5668 2.5668 3.5205 3.5205 3.7494 3.7494 4.2219 4.2219 7.4411 7.4411 8.2475 8.2475 9.7342 9.7342 10.5182 10.5182 k = 0.3968 0.4674-0.0000 ( 3554 PWs) bands (ev): -25.0727 -25.0727 -25.0640 -25.0640 -9.1779 -9.1779 -8.8072 -8.8072 -8.6850 -8.6850 -8.5521 -8.5521 -8.5009 -8.5009 -8.4479 -8.4479 -8.1105 -8.1105 -1.2225 -1.2225 -0.0501 -0.0501 1.9767 1.9767 2.1797 2.1797 2.3651 2.3651 2.5676 2.5676 3.5233 3.5233 3.7541 3.7541 4.2186 4.2186 7.4671 7.4671 8.1881 8.1881 9.7757 9.7757 10.5125 10.5125 k = 0.3889 0.4811-0.0000 ( 3550 PWs) bands (ev): -25.0722 -25.0722 -25.0645 -25.0645 -9.1805 -9.1805 -8.8054 -8.8054 -8.6873 -8.6873 -8.5481 -8.5481 -8.5021 -8.5021 -8.4482 -8.4482 -8.1102 -8.1102 -1.2222 -1.2222 -0.0489 -0.0489 1.9868 1.9868 2.1671 2.1671 2.3663 2.3663 2.5684 2.5684 3.5258 3.5258 3.7589 3.7589 4.2155 4.2155 7.4952 7.4952 8.1293 8.1293 9.8174 9.8174 10.4973 10.4973 k = 0.3810 0.4949-0.0000 ( 3550 PWs) bands (ev): -25.0717 -25.0717 -25.0649 -25.0649 -9.1829 -9.1829 -8.8037 -8.8037 -8.6893 -8.6893 -8.5445 -8.5445 -8.5034 -8.5034 -8.4485 -8.4485 -8.1098 -8.1098 -1.2220 -1.2220 -0.0477 -0.0477 1.9974 1.9974 2.1545 2.1545 2.3673 2.3673 2.5690 2.5690 3.5279 3.5279 3.7636 3.7636 4.2126 4.2126 7.5253 7.5253 8.0716 8.0716 9.8589 9.8589 10.4677 10.4677 k = 0.3730 0.5086-0.0000 ( 3556 PWs) bands (ev): -25.0712 -25.0712 -25.0654 -25.0654 -9.1850 -9.1850 -8.8022 -8.8022 -8.6911 -8.6911 -8.5411 -8.5411 -8.5047 -8.5047 -8.4487 -8.4487 -8.1095 -8.1095 -1.2217 -1.2217 -0.0466 -0.0466 2.0082 2.0082 2.1418 2.1418 2.3681 2.3681 2.5696 2.5696 3.5297 3.5297 3.7680 3.7680 4.2100 4.2100 7.5573 7.5573 8.0154 8.0154 9.8999 9.8999 10.4280 10.4280 k = 0.3651 0.5224-0.0000 ( 3564 PWs) bands (ev): -25.0707 -25.0707 -25.0660 -25.0660 -9.1869 -9.1869 -8.8010 -8.8010 -8.6926 -8.6926 -8.5383 -8.5383 -8.5060 -8.5060 -8.4489 -8.4489 -8.1092 -8.1092 -1.2215 -1.2215 -0.0457 -0.0457 2.0191 2.0191 2.1295 2.1295 2.3688 2.3688 2.5701 2.5701 3.5312 3.5312 3.7721 3.7721 4.2078 4.2078 7.5911 7.5911 7.9613 7.9613 9.9397 9.9397 10.3857 10.3857 k = 0.3571 0.5361-0.0000 ( 3570 PWs) bands (ev): -25.0702 -25.0702 -25.0665 -25.0665 -9.1884 -9.1884 -8.8000 -8.8000 -8.6938 -8.6938 -8.5359 -8.5359 -8.5070 -8.5070 -8.4491 -8.4491 -8.1089 -8.1089 -1.2213 -1.2213 -0.0450 -0.0450 2.0298 2.0298 2.1176 2.1176 2.3693 2.3693 2.5704 2.5704 3.5322 3.5322 3.7755 3.7755 4.2059 4.2059 7.6261 7.6261 7.9099 7.9099 9.9771 9.9771 10.3452 10.3452 k = 0.3492 0.5499-0.0000 ( 3576 PWs) bands (ev): -25.0696 -25.0696 -25.0671 -25.0671 -9.1895 -9.1895 -8.7992 -8.7992 -8.6946 -8.6946 -8.5341 -8.5341 -8.5078 -8.5078 -8.4492 -8.4492 -8.1087 -8.1087 -1.2212 -1.2212 -0.0444 -0.0444 2.0398 2.0398 2.1068 2.1068 2.3697 2.3697 2.5706 2.5706 3.5330 3.5330 3.7782 3.7782 4.2046 4.2046 7.6616 7.6616 7.8625 7.8625 10.0097 10.0097 10.3101 10.3101 k = 0.3413 0.5636-0.0000 ( 3588 PWs) bands (ev): -25.0690 -25.0690 -25.0678 -25.0678 -9.1902 -9.1902 -8.7988 -8.7988 -8.6951 -8.6951 -8.5330 -8.5330 -8.5083 -8.5083 -8.4493 -8.4493 -8.1086 -8.1086 -1.2211 -1.2211 -0.0441 -0.0441 2.0477 2.0477 2.0984 2.0984 2.3699 2.3699 2.5708 2.5708 3.5334 3.5334 3.7799 3.7799 4.2038 4.2038 7.6940 7.6940 7.8227 7.8227 10.0332 10.0332 10.2849 10.2849 k = 0.3333 0.5774-0.0000 ( 3576 PWs) bands (ev): -25.0684 -25.0684 -25.0683 -25.0683 -9.1905 -9.1905 -8.7986 -8.7986 -8.6953 -8.6953 -8.5327 -8.5327 -8.5085 -8.5085 -8.4493 -8.4493 -8.1085 -8.1085 -1.2211 -1.2211 -0.0440 -0.0440 2.0510 2.0510 2.0950 2.0950 2.3700 2.3700 2.5708 2.5708 3.5335 3.5335 3.7805 3.7805 4.2035 4.2035 7.7103 7.7103 7.8039 7.8039 10.0420 10.0420 10.2756 10.2756 k = 0.3333 0.5774-0.0000 ( 3576 PWs) bands (ev): -25.0684 -25.0684 -25.0683 -25.0683 -9.1905 -9.1905 -8.7986 -8.7986 -8.6953 -8.6953 -8.5327 -8.5327 -8.5085 -8.5085 -8.4493 -8.4493 -8.1085 -8.1085 -1.2211 -1.2211 -0.0440 -0.0440 2.0510 2.0510 2.0950 2.0950 2.3700 2.3700 2.5708 2.5708 3.5335 3.5335 3.7805 3.7805 4.2035 4.2035 7.7103 7.7103 7.8039 7.8039 10.0420 10.0420 10.2756 10.2756 k = 0.3252 0.5633-0.0000 ( 3584 PWs) bands (ev): -25.0690 -25.0690 -25.0677 -25.0677 -9.1902 -9.1902 -8.7988 -8.7988 -8.6951 -8.6951 -8.5330 -8.5330 -8.5084 -8.5084 -8.4493 -8.4493 -8.1086 -8.1086 -1.2211 -1.2211 -0.0441 -0.0441 2.0476 2.0476 2.0985 2.0985 2.3699 2.3699 2.5708 2.5708 3.5334 3.5334 3.7798 3.7798 4.2038 4.2038 7.6938 7.6938 7.8231 7.8231 10.0331 10.0331 10.2850 10.2850 k = 0.3171 0.5492-0.0000 ( 3576 PWs) bands (ev): -25.0697 -25.0697 -25.0670 -25.0670 -9.1894 -9.1894 -8.7992 -8.7992 -8.6946 -8.6946 -8.5340 -8.5340 -8.5080 -8.5080 -8.4492 -8.4492 -8.1088 -8.1088 -1.2212 -1.2212 -0.0445 -0.0445 2.0398 2.0398 2.1068 2.1068 2.3697 2.3697 2.5706 2.5706 3.5330 3.5330 3.7777 3.7777 4.2046 4.2046 7.6627 7.6627 7.8624 7.8624 10.0105 10.0105 10.3089 10.3089 k = 0.3089 0.5351-0.0000 ( 3572 PWs) bands (ev): -25.0704 -25.0704 -25.0663 -25.0663 -9.1880 -9.1880 -8.8000 -8.8000 -8.6938 -8.6938 -8.5354 -8.5354 -8.5076 -8.5076 -8.4491 -8.4491 -8.1092 -8.1092 -1.2214 -1.2214 -0.0452 -0.0452 2.0302 2.0302 2.1171 2.1171 2.3693 2.3693 2.5704 2.5704 3.5325 3.5325 3.7740 3.7740 4.2059 4.2059 7.6307 7.6307 7.9084 7.9084 9.9808 9.9808 10.3403 10.3403 k = 0.3008 0.5210-0.0000 ( 3562 PWs) bands (ev): -25.0711 -25.0711 -25.0656 -25.0656 -9.1860 -9.1860 -8.8010 -8.8010 -8.6927 -8.6927 -8.5371 -8.5371 -8.5072 -8.5072 -8.4489 -8.4489 -8.1098 -8.1098 -1.2217 -1.2217 -0.0462 -0.0462 2.0201 2.0201 2.1281 2.1281 2.3688 2.3688 2.5701 2.5701 3.5318 3.5318 3.7688 3.7688 4.2075 4.2075 7.6012 7.6012 7.9577 7.9577 9.9482 9.9482 10.3742 10.3742 k = 0.2927 0.5069-0.0000 ( 3556 PWs) bands (ev): -25.0718 -25.0718 -25.0649 -25.0649 -9.1835 -9.1835 -8.8022 -8.8022 -8.6913 -8.6913 -8.5391 -8.5391 -8.5069 -8.5069 -8.4486 -8.4486 -8.1106 -8.1106 -1.2220 -1.2220 -0.0476 -0.0476 2.0101 2.0101 2.1393 2.1393 2.3682 2.3682 2.5697 2.5697 3.5311 3.5311 3.7620 3.7620 4.2094 4.2094 7.5755 7.5755 8.0091 8.0091 9.9151 9.9151 10.4076 10.4076 k = 0.2846 0.4929-0.0000 ( 3554 PWs) bands (ev): -25.0725 -25.0725 -25.0642 -25.0642 -9.1803 -9.1803 -8.8036 -8.8036 -8.6898 -8.6898 -8.5413 -8.5413 -8.5068 -8.5068 -8.4483 -8.4483 -8.1117 -8.1117 -1.2225 -1.2225 -0.0492 -0.0492 2.0005 2.0005 2.1502 2.1502 2.3675 2.3675 2.5693 2.5693 3.5302 3.5302 3.7535 3.7535 4.2115 4.2115 7.5542 7.5542 8.0621 8.0621 9.8828 9.8828 10.4384 10.4384 k = 0.2764 0.4788-0.0000 ( 3552 PWs) bands (ev): -25.0733 -25.0733 -25.0634 -25.0634 -9.1765 -9.1765 -8.8052 -8.8052 -8.6880 -8.6880 -8.5436 -8.5436 -8.5069 -8.5069 -8.4480 -8.4480 -8.1131 -8.1131 -1.2231 -1.2231 -0.0512 -0.0512 1.9914 1.9914 2.1608 2.1608 2.3667 2.3667 2.5688 2.5688 3.5293 3.5293 3.7433 3.7433 4.2136 4.2136 7.5375 7.5375 8.1165 8.1165 9.8520 9.8520 10.4658 10.4658 k = 0.2683 0.4647-0.0000 ( 3550 PWs) bands (ev): -25.0741 -25.0741 -25.0627 -25.0627 -9.1720 -9.1720 -8.8069 -8.8069 -8.6861 -8.6861 -8.5459 -8.5459 -8.5072 -8.5072 -8.4476 -8.4476 -8.1149 -8.1149 -1.2238 -1.2238 -0.0536 -0.0536 1.9828 1.9828 2.1709 2.1709 2.3658 2.3658 2.5683 2.5683 3.5284 3.5284 3.7316 3.7316 4.2157 4.2157 7.5258 7.5258 8.1719 8.1719 9.8233 9.8233 10.4901 10.4901 k = 0.2602 0.4506-0.0000 ( 3544 PWs) bands (ev): -25.0748 -25.0748 -25.0619 -25.0619 -9.1669 -9.1669 -8.8087 -8.8087 -8.6841 -8.6841 -8.5482 -8.5482 -8.5077 -8.5077 -8.4472 -8.4472 -8.1170 -8.1170 -1.2246 -1.2246 -0.0562 -0.0562 1.9750 1.9750 2.1805 2.1805 2.3648 2.3648 2.5677 2.5677 3.5274 3.5274 3.7182 3.7182 4.2176 4.2176 7.5192 7.5192 8.2280 8.2280 9.7970 9.7970 10.5124 10.5124 k = 0.2520 0.4365-0.0000 ( 3548 PWs) bands (ev): -25.0756 -25.0756 -25.0612 -25.0612 -9.1612 -9.1612 -8.8106 -8.8106 -8.6819 -8.6819 -8.5506 -8.5506 -8.5085 -8.5085 -8.4467 -8.4467 -8.1195 -8.1195 -1.2255 -1.2255 -0.0592 -0.0592 1.9680 1.9680 2.1894 2.1894 2.3638 2.3638 2.5671 2.5671 3.5265 3.5265 3.7034 3.7034 4.2192 4.2192 7.5178 7.5178 8.2846 8.2846 9.7734 9.7734 10.5335 10.5335 k = 0.2439 0.4225-0.0000 ( 3540 PWs) bands (ev): -25.0764 -25.0764 -25.0605 -25.0605 -9.1549 -9.1549 -8.8125 -8.8125 -8.6797 -8.6797 -8.5529 -8.5529 -8.5095 -8.5095 -8.4462 -8.4462 -8.1225 -8.1225 -1.2265 -1.2265 -0.0625 -0.0625 1.9619 1.9619 2.1976 2.1976 2.3627 2.3627 2.5666 2.5666 3.5255 3.5255 3.6870 3.6870 4.2206 4.2206 7.5217 7.5217 8.3413 8.3413 9.7526 9.7526 10.5541 10.5541 k = 0.2358 0.4084-0.0000 ( 3544 PWs) bands (ev): -25.0772 -25.0772 -25.0597 -25.0597 -9.1479 -9.1479 -8.8144 -8.8144 -8.6775 -8.6775 -8.5552 -8.5552 -8.5107 -8.5107 -8.4457 -8.4457 -8.1260 -8.1260 -1.2276 -1.2276 -0.0661 -0.0661 1.9566 1.9566 2.2050 2.2050 2.3616 2.3616 2.5660 2.5660 3.5244 3.5244 3.6693 3.6693 4.2216 4.2216 7.5308 7.5308 8.3979 8.3979 9.7349 9.7349 10.5744 10.5744 k = 0.2276 0.3943-0.0000 ( 3536 PWs) bands (ev): -25.0780 -25.0780 -25.0590 -25.0590 -9.1404 -9.1404 -8.8162 -8.8162 -8.6752 -8.6752 -8.5574 -8.5574 -8.5120 -8.5120 -8.4451 -8.4451 -8.1299 -8.1299 -1.2288 -1.2288 -0.0699 -0.0699 1.9523 1.9523 2.2115 2.2115 2.3605 2.3605 2.5654 2.5654 3.5232 3.5232 3.6504 3.6504 4.2223 4.2223 7.5453 7.5453 8.4541 8.4541 9.7204 9.7204 10.5944 10.5944 k = 0.2195 0.3802-0.0000 ( 3536 PWs) bands (ev): -25.0788 -25.0788 -25.0583 -25.0583 -9.1324 -9.1324 -8.8180 -8.8180 -8.6730 -8.6730 -8.5595 -8.5595 -8.5135 -8.5135 -8.4446 -8.4446 -8.1344 -8.1344 -1.2302 -1.2302 -0.0741 -0.0741 1.9490 1.9490 2.2173 2.2173 2.3593 2.3593 2.5649 2.5649 3.5217 3.5217 3.6304 3.6304 4.2226 4.2226 7.5649 7.5649 8.5095 8.5095 9.7092 9.7092 10.6135 10.6135 k = 0.2114 0.3661-0.0000 ( 3534 PWs) bands (ev): -25.0796 -25.0796 -25.0576 -25.0576 -9.1238 -9.1238 -8.8196 -8.8196 -8.6708 -8.6708 -8.5615 -8.5615 -8.5150 -8.5150 -8.4440 -8.4440 -8.1394 -8.1394 -1.2316 -1.2316 -0.0785 -0.0785 1.9467 1.9467 2.2222 2.2222 2.3582 2.3582 2.5643 2.5643 3.5196 3.5196 3.6098 3.6098 4.2226 4.2226 7.5897 7.5897 8.5638 8.5638 9.7015 9.7015 10.6310 10.6310 k = 0.2033 0.3520-0.0000 ( 3532 PWs) bands (ev): -25.0804 -25.0804 -25.0569 -25.0569 -9.1148 -9.1148 -8.8211 -8.8211 -8.6686 -8.6686 -8.5633 -8.5633 -8.5167 -8.5167 -8.4434 -8.4434 -8.1449 -8.1449 -1.2332 -1.2332 -0.0831 -0.0831 1.9456 1.9456 2.2262 2.2262 2.3570 2.3570 2.5639 2.5639 3.5162 3.5162 3.5891 3.5891 4.2222 4.2222 7.6194 7.6194 8.6168 8.6168 9.6973 9.6973 10.6456 10.6456 k = 0.1951 0.3380-0.0000 ( 3532 PWs) bands (ev): -25.0812 -25.0812 -25.0562 -25.0562 -9.1053 -9.1053 -8.8223 -8.8223 -8.6665 -8.6665 -8.5650 -8.5650 -8.5184 -8.5184 -8.4429 -8.4429 -8.1511 -8.1511 -1.2348 -1.2348 -0.0879 -0.0879 1.9455 1.9455 2.2294 2.2294 2.3559 2.3559 2.5634 2.5634 3.5103 3.5103 3.5700 3.5700 4.2216 4.2216 7.6539 7.6539 8.6682 8.6682 9.6967 9.6967 10.6559 10.6559 k = 0.1870 0.3239-0.0000 ( 3538 PWs) bands (ev): -25.0820 -25.0820 -25.0555 -25.0555 -9.0956 -9.0956 -8.8234 -8.8234 -8.6645 -8.6645 -8.5665 -8.5665 -8.5202 -8.5202 -8.4423 -8.4423 -8.1579 -8.1579 -1.2365 -1.2365 -0.0929 -0.0929 1.9465 1.9465 2.2317 2.2317 2.3547 2.3547 2.5630 2.5630 3.4994 3.4994 3.5548 3.5548 4.2207 4.2207 7.6930 7.6930 8.7177 8.7177 9.6997 9.6997 10.6606 10.6606 k = 0.1789 0.3098-0.0000 ( 3542 PWs) bands (ev): -25.0827 -25.0827 -25.0548 -25.0548 -9.0855 -9.0855 -8.8241 -8.8241 -8.6627 -8.6627 -8.5678 -8.5678 -8.5220 -8.5220 -8.4417 -8.4417 -8.1652 -8.1652 -1.2383 -1.2383 -0.0980 -0.0980 1.9486 1.9486 2.2333 2.2333 2.3535 2.3535 2.5627 2.5627 3.4819 3.4819 3.5451 3.5451 4.2197 4.2197 7.7364 7.7364 8.7652 8.7652 9.7063 9.7063 10.6594 10.6595 k = 0.1707 0.2957-0.0000 ( 3540 PWs) bands (ev): -25.0835 -25.0835 -25.0542 -25.0542 -9.0753 -9.0753 -8.8244 -8.8244 -8.6610 -8.6610 -8.5689 -8.5689 -8.5237 -8.5237 -8.4412 -8.4412 -8.1732 -8.1732 -1.2401 -1.2401 -0.1032 -0.1032 1.9519 1.9519 2.2341 2.2341 2.3523 2.3523 2.5623 2.5623 3.4593 3.4593 3.5399 3.5399 4.2185 4.2185 7.7839 7.7839 8.8105 8.8105 9.7163 9.7163 10.6528 10.6528 k = 0.1626 0.2816-0.0000 ( 3538 PWs) bands (ev): -25.0842 -25.0842 -25.0536 -25.0536 -9.0649 -9.0649 -8.8243 -8.8243 -8.6595 -8.6595 -8.5696 -8.5696 -8.5255 -8.5255 -8.4407 -8.4407 -8.1818 -8.1818 -1.2420 -1.2420 -0.1085 -0.1085 1.9564 1.9564 2.2343 2.2343 2.3510 2.3510 2.5620 2.5620 3.4335 3.4335 3.5371 3.5371 4.2171 4.2171 7.8351 7.8351 8.8536 8.8536 9.7296 9.7296 10.6416 10.6416 k = 0.1545 0.2676-0.0000 ( 3542 PWs) bands (ev): -25.0849 -25.0849 -25.0530 -25.0530 -9.0546 -9.0546 -8.8237 -8.8237 -8.6583 -8.6583 -8.5700 -8.5700 -8.5271 -8.5271 -8.4402 -8.4402 -8.1910 -8.1910 -1.2439 -1.2439 -0.1139 -0.1139 1.9620 1.9620 2.2338 2.2338 2.3496 2.3496 2.5618 2.5618 3.4061 3.4061 3.5354 3.5354 4.2157 4.2157 7.8898 7.8898 8.8945 8.8945 9.7459 9.7459 10.6267 10.6267 k = 0.1463 0.2535-0.0000 ( 3546 PWs) bands (ev): -25.0856 -25.0856 -25.0524 -25.0524 -9.0444 -9.0444 -8.8226 -8.8226 -8.6573 -8.6573 -8.5701 -8.5701 -8.5287 -8.5287 -8.4397 -8.4397 -8.2008 -8.2008 -1.2458 -1.2458 -0.1192 -0.1192 1.9688 1.9688 2.2329 2.2329 2.3480 2.3480 2.5616 2.5616 3.3776 3.3776 3.5343 3.5343 4.2143 4.2143 7.9477 7.9477 8.9333 8.9333 9.7650 9.7650 10.6090 10.6090 k = 0.1382 0.2394-0.0000 ( 3546 PWs) bands (ev): -25.0862 -25.0862 -25.0519 -25.0519 -9.0345 -9.0345 -8.8208 -8.8208 -8.6566 -8.6566 -8.5697 -8.5697 -8.5302 -8.5302 -8.4392 -8.4392 -8.2113 -8.2113 -1.2477 -1.2477 -0.1246 -0.1246 1.9766 1.9766 2.2314 2.2314 2.3463 2.3463 2.5614 2.5614 3.3486 3.3486 3.5336 3.5336 4.2128 4.2128 8.0082 8.0082 8.9702 8.9702 9.7865 9.7865 10.5894 10.5894 k = 0.1301 0.2253-0.0000 ( 3540 PWs) bands (ev): -25.0869 -25.0869 -25.0513 -25.0513 -9.0249 -9.0249 -8.8182 -8.8182 -8.6563 -8.6563 -8.5689 -8.5689 -8.5316 -8.5316 -8.4388 -8.4388 -8.2223 -8.2223 -1.2496 -1.2496 -0.1298 -0.1298 1.9856 1.9856 2.2297 2.2297 2.3442 2.3442 2.5612 2.5612 3.3193 3.3193 3.5331 3.5331 4.2113 4.2113 8.0712 8.0712 9.0052 9.0052 9.8100 9.8100 10.5685 10.5685 k = 0.1220 0.2112-0.0000 ( 3536 PWs) bands (ev): -25.0875 -25.0875 -25.0508 -25.0508 -9.0159 -9.0159 -8.8148 -8.8148 -8.6563 -8.6563 -8.5676 -8.5676 -8.5328 -8.5328 -8.4384 -8.4384 -8.2339 -8.2339 -1.2515 -1.2515 -0.1350 -0.1350 1.9956 1.9956 2.2276 2.2276 2.3419 2.3419 2.5611 2.5611 3.2900 3.2900 3.5327 3.5327 4.2099 4.2099 8.1360 8.1360 9.0386 9.0386 9.8350 9.8350 10.5473 10.5473 k = 0.1138 0.1971-0.0000 ( 3548 PWs) bands (ev): -25.0881 -25.0881 -25.0504 -25.0504 -9.0075 -9.0075 -8.8107 -8.8107 -8.6568 -8.6568 -8.5659 -8.5659 -8.5337 -8.5337 -8.4380 -8.4380 -8.2460 -8.2460 -1.2534 -1.2534 -0.1401 -0.1401 2.0066 2.0066 2.2254 2.2254 2.3391 2.3391 2.5610 2.5610 3.2609 3.2609 3.5323 3.5323 4.2085 4.2085 8.2022 8.2022 9.0705 9.0705 9.8609 9.8609 10.5267 10.5267 k = 0.1057 0.1831-0.0000 ( 3536 PWs) bands (ev): -25.0886 -25.0886 -25.0499 -25.0499 -8.9998 -8.9998 -8.8056 -8.8056 -8.6576 -8.6576 -8.5637 -8.5637 -8.5344 -8.5344 -8.4376 -8.4376 -8.2586 -8.2586 -1.2552 -1.2552 -0.1449 -0.1449 2.0185 2.0185 2.2230 2.2230 2.3360 2.3360 2.5609 2.5609 3.2323 3.2323 3.5320 3.5320 4.2071 4.2071 8.2693 8.2693 9.1011 9.1011 9.8871 9.8871 10.5076 10.5076 k = 0.0976 0.1690-0.0000 ( 3534 PWs) bands (ev): -25.0891 -25.0891 -25.0494 -25.0494 -8.9929 -8.9929 -8.7997 -8.7997 -8.6588 -8.6588 -8.5612 -8.5612 -8.5346 -8.5346 -8.4372 -8.4372 -8.2716 -8.2716 -1.2569 -1.2569 -0.1496 -0.1496 2.0313 2.0313 2.2205 2.2205 2.3323 2.3323 2.5608 2.5608 3.2044 3.2044 3.5318 3.5318 4.2059 4.2059 8.3368 8.3368 9.1305 9.1305 9.9128 9.9128 10.4910 10.4910 k = 0.0894 0.1549-0.0000 ( 3524 PWs) bands (ev): -25.0895 -25.0895 -25.0490 -25.0490 -8.9869 -8.9869 -8.7930 -8.7930 -8.6604 -8.6604 -8.5585 -8.5585 -8.5341 -8.5341 -8.4369 -8.4369 -8.2851 -8.2851 -1.2585 -1.2585 -0.1540 -0.1540 2.0448 2.0448 2.2181 2.2181 2.3281 2.3281 2.5607 2.5607 3.1774 3.1774 3.5315 3.5315 4.2047 4.2047 8.4039 8.4039 9.1588 9.1588 9.9374 9.9374 10.4778 10.4778 k = 0.0813 0.1408-0.0000 ( 3508 PWs) bands (ev): -25.0899 -25.0899 -25.0486 -25.0486 -8.9816 -8.9816 -8.7857 -8.7857 -8.6623 -8.6623 -8.5559 -8.5559 -8.5327 -8.5327 -8.4366 -8.4366 -8.2989 -8.2989 -1.2601 -1.2601 -0.1582 -0.1582 2.0589 2.0589 2.2158 2.2158 2.3233 2.3233 2.5606 2.5606 3.1517 3.1517 3.5313 3.5313 4.2036 4.2036 8.4701 8.4701 9.1859 9.1859 9.9601 9.9601 10.4688 10.4688 k = 0.0732 0.1267-0.0000 ( 3508 PWs) bands (ev): -25.0903 -25.0903 -25.0483 -25.0483 -8.9772 -8.9772 -8.7777 -8.7777 -8.6647 -8.6647 -8.5538 -8.5538 -8.5300 -8.5300 -8.4363 -8.4363 -8.3130 -8.3130 -1.2615 -1.2615 -0.1621 -0.1621 2.0735 2.0735 2.2137 2.2137 2.3178 2.3178 2.5606 2.5606 3.1274 3.1274 3.5310 3.5310 4.2025 4.2025 8.5344 8.5344 9.2118 9.2118 9.9801 9.9801 10.4647 10.4647 k = 0.0650 0.1127-0.0000 ( 3499 PWs) bands (ev): -25.0907 -25.0907 -25.0480 -25.0480 -8.9735 -8.9735 -8.7694 -8.7694 -8.6675 -8.6675 -8.5523 -8.5523 -8.5257 -8.5257 -8.4361 -8.4361 -8.3274 -8.3274 -1.2629 -1.2629 -0.1656 -0.1656 2.0885 2.0885 2.2117 2.2117 2.3116 2.3116 2.5605 2.5605 3.1048 3.1048 3.5308 3.5308 4.2016 4.2016 8.5961 8.5961 9.2363 9.2363 9.9969 9.9969 10.4658 10.4658 k = 0.0569 0.0986-0.0000 ( 3499 PWs) bands (ev): -25.0910 -25.0910 -25.0477 -25.0477 -8.9705 -8.9705 -8.7609 -8.7609 -8.6706 -8.6706 -8.5515 -8.5515 -8.5199 -8.5199 -8.4359 -8.4359 -8.3418 -8.3418 -1.2641 -1.2641 -0.1688 -0.1688 2.1036 2.1036 2.2101 2.2101 2.3046 2.3046 2.5605 2.5605 3.0841 3.0841 3.5306 3.5306 4.2008 4.2008 8.6542 8.6542 9.2591 9.2591 10.0103 10.0103 10.4716 10.4716 k = 0.0488 0.0845-0.0000 ( 3499 PWs) bands (ev): -25.0913 -25.0913 -25.0475 -25.0475 -8.9680 -8.9680 -8.7522 -8.7522 -8.6742 -8.6742 -8.5511 -8.5511 -8.5129 -8.5129 -8.4358 -8.4358 -8.3563 -8.3563 -1.2651 -1.2651 -0.1716 -0.1716 2.1185 2.1185 2.2090 2.2090 2.2969 2.2969 2.5604 2.5604 3.0655 3.0655 3.5304 3.5304 4.2001 4.2001 8.7076 8.7076 9.2801 9.2801 10.0204 10.0204 10.4809 10.4809 k = 0.0407 0.0704-0.0000 ( 3501 PWs) bands (ev): -25.0915 -25.0915 -25.0473 -25.0473 -8.9661 -8.9661 -8.7437 -8.7437 -8.6781 -8.6781 -8.5510 -8.5510 -8.5047 -8.5047 -8.4358 -8.4358 -8.3707 -8.3707 -1.2661 -1.2661 -0.1740 -0.1740 2.1330 2.1330 2.2086 2.2086 2.2884 2.2884 2.5604 2.5604 3.0494 3.0494 3.5302 3.5302 4.1995 4.1995 8.7555 8.7555 9.2987 9.2987 10.0277 10.0277 10.4909 10.4909 k = 0.0325 0.0563-0.0000 ( 3505 PWs) bands (ev): -25.0917 -25.0917 -25.0472 -25.0472 -8.9646 -8.9646 -8.7354 -8.7354 -8.6824 -8.6824 -8.5510 -8.5510 -8.4956 -8.4956 -8.4358 -8.4358 -8.3847 -8.3847 -1.2668 -1.2668 -0.1760 -0.1760 2.1464 2.1464 2.2091 2.2091 2.2791 2.2791 2.5603 2.5603 3.0359 3.0359 3.5301 3.5301 4.1990 4.1990 8.7965 8.7965 9.3147 9.3147 10.0327 10.0327 10.4953 10.4953 k = 0.0244 0.0422-0.0000 ( 3501 PWs) bands (ev): -25.0919 -25.0919 -25.0470 -25.0470 -8.9635 -8.9635 -8.7275 -8.7275 -8.6871 -8.6871 -8.5510 -8.5510 -8.4858 -8.4858 -8.4361 -8.4361 -8.3981 -8.3981 -1.2674 -1.2674 -0.1776 -0.1776 2.1579 2.1579 2.2111 2.2111 2.2694 2.2694 2.5603 2.5603 3.0252 3.0252 3.5300 3.5300 4.1986 4.1986 8.8298 8.8298 9.3276 9.3276 10.0359 10.0359 10.4901 10.4901 k = 0.0163 0.0282-0.0000 ( 3497 PWs) bands (ev): -25.0920 -25.0920 -25.0469 -25.0469 -8.9627 -8.9627 -8.7202 -8.7202 -8.6921 -8.6921 -8.5511 -8.5511 -8.4759 -8.4759 -8.4368 -8.4368 -8.4101 -8.4101 -1.2679 -1.2679 -0.1787 -0.1787 2.1667 2.1667 2.2151 2.2151 2.2594 2.2594 2.5603 2.5603 3.0174 3.0174 3.5299 3.5299 4.1983 4.1983 8.8544 8.8544 9.3371 9.3371 10.0379 10.0379 10.4818 10.4818 k = 0.0081 0.0141-0.0000 ( 3495 PWs) bands (ev): -25.0920 -25.0920 -25.0469 -25.0469 -8.9623 -8.9623 -8.7138 -8.7138 -8.6970 -8.6970 -8.5511 -8.5511 -8.4669 -8.4669 -8.4385 -8.4385 -8.4191 -8.4191 -1.2681 -1.2681 -0.1794 -0.1794 2.1719 2.1719 2.2207 2.2207 2.2504 2.2504 2.5603 2.5603 3.0127 3.0127 3.5298 3.5298 4.1981 4.1981 8.8695 8.8695 9.3429 9.3429 10.0390 10.0390 10.4755 10.4755 k = 0.0000 0.0000 0.0000 ( 3501 PWs) bands (ev): -25.0921 -25.0921 -25.0469 -25.0469 -8.9622 -8.9622 -8.7104 -8.7104 -8.6999 -8.6999 -8.5511 -8.5511 -8.4625 -8.4625 -8.4401 -8.4401 -8.4224 -8.4224 -1.2682 -1.2682 -0.1796 -0.1796 2.1735 2.1735 2.2240 2.2240 2.2459 2.2459 2.5603 2.5603 3.0111 3.0111 3.5298 3.5298 4.1981 4.1981 8.8745 8.8745 9.3449 9.3449 10.0394 10.0394 10.4732 10.4732 k = 0.0000 0.0000 0.0000 ( 3501 PWs) bands (ev): -25.0921 -25.0921 -25.0469 -25.0469 -8.9622 -8.9622 -8.7104 -8.7104 -8.6999 -8.6999 -8.5511 -8.5511 -8.4625 -8.4625 -8.4401 -8.4401 -8.4224 -8.4224 -1.2682 -1.2682 -0.1796 -0.1796 2.1735 2.1735 2.2240 2.2240 2.2459 2.2459 2.5603 2.5603 3.0111 3.0111 3.5298 3.5298 4.1981 4.1981 8.8745 8.8745 9.3449 9.3449 10.0394 10.0394 10.4732 10.4732 k = 0.0000 0.0000 0.0158 ( 3501 PWs) bands (ev): -25.0920 -25.0920 -25.0469 -25.0469 -8.9620 -8.9620 -8.7105 -8.7105 -8.6998 -8.6998 -8.5510 -8.5510 -8.4629 -8.4629 -8.4395 -8.4395 -8.4225 -8.4225 -1.2820 -1.2820 -0.1644 -0.1644 2.1336 2.1336 2.2109 2.2109 2.2854 2.2854 2.5732 2.5732 3.0140 3.0140 3.5321 3.5321 4.1980 4.1980 8.8721 8.8721 9.3492 9.3492 10.0102 10.0102 10.4758 10.4758 k = 0.0000 0.0000 0.0317 ( 3513 PWs) bands (ev): -25.0920 -25.0920 -25.0470 -25.0470 -8.9616 -8.9616 -8.7107 -8.7107 -8.6996 -8.6996 -8.5508 -8.5508 -8.4638 -8.4638 -8.4380 -8.4380 -8.4227 -8.4227 -1.3213 -1.3213 -0.1210 -0.1210 2.0712 2.0712 2.1766 2.1766 2.3465 2.3465 2.6072 2.6072 3.0230 3.0230 3.5390 3.5390 4.1980 4.1980 8.8651 8.8651 9.3618 9.3618 9.9383 9.9383 10.3653 10.3653 k = 0.0000 0.0000 0.0475 ( 3513 PWs) bands (ev): -25.0919 -25.0919 -25.0471 -25.0471 -8.9608 -8.9608 -8.7112 -8.7112 -8.6992 -8.6992 -8.5505 -8.5505 -8.4651 -8.4651 -8.4355 -8.4355 -8.4230 -8.4230 -1.3808 -1.3808 -0.0546 -0.0546 2.0067 2.0067 2.1298 2.1298 2.4083 2.4083 2.6530 2.6530 3.0384 3.0384 3.5508 3.5508 4.1979 4.1979 8.8541 8.8541 9.3821 9.3821 9.8450 9.8450 10.2526 10.2526 k = 0.0000 0.0000 0.0633 ( 3500 PWs) bands (ev): -25.0917 -25.0917 -25.0472 -25.0472 -8.9597 -8.9597 -8.7118 -8.7118 -8.6985 -8.6985 -8.5499 -8.5499 -8.4667 -8.4667 -8.4322 -8.4322 -8.4235 -8.4235 -1.4546 -1.4546 0.0289 0.0289 1.9425 1.9425 2.0767 2.0767 2.4677 2.4677 2.7042 2.7042 3.0608 3.0608 3.5679 3.5679 4.1978 4.1978 8.8400 8.8400 9.4090 9.4090 9.7419 9.7419 10.1388 10.1388 k = 0.0000 0.0000 0.0792 ( 3488 PWs) bands (ev): -25.0915 -25.0915 -25.0474 -25.0474 -8.9583 -8.9583 -8.7127 -8.7127 -8.6976 -8.6976 -8.5492 -8.5492 -8.4685 -8.4685 -8.4284 -8.4284 -8.4242 -8.4242 -1.5380 -1.5380 0.1245 0.1245 1.8793 1.8793 2.0208 2.0208 2.5232 2.5232 2.7565 2.7565 3.0912 3.0912 3.5908 3.5908 4.1977 4.1977 8.8236 8.8236 9.4412 9.4412 9.6343 9.6343 10.0240 10.0240 k = 0.0000 0.0000 0.0950 ( 3488 PWs) bands (ev): -25.0912 -25.0912 -25.0476 -25.0476 -8.9566 -8.9566 -8.7138 -8.7138 -8.6965 -8.6965 -8.5484 -8.5484 -8.4705 -8.4705 -8.4250 -8.4250 -8.4239 -8.4239 -1.6272 -1.6272 0.2286 0.2286 1.8175 1.8175 1.9639 1.9639 2.5736 2.5736 2.8077 2.8077 3.1300 3.1300 3.6202 3.6202 4.1976 4.1976 8.8054 8.8054 9.4725 9.4725 9.5299 9.5299 9.9084 9.9084 k = 0.0000 0.0000 0.1109 ( 3476 PWs) bands (ev): -25.0909 -25.0909 -25.0478 -25.0478 -8.9546 -8.9546 -8.7151 -8.7151 -8.6951 -8.6951 -8.5474 -8.5474 -8.4725 -8.4725 -8.4259 -8.4259 -8.4190 -8.4190 -1.7197 -1.7197 0.3385 0.3385 1.7574 1.7574 1.9072 1.9072 2.6183 2.6183 2.8559 2.8559 3.1777 3.1777 3.6565 3.6565 4.1975 4.1975 8.7861 8.7861 9.4039 9.4039 9.5284 9.5284 9.7920 9.7920 k = 0.0000 0.0000 0.1267 ( 3500 PWs) bands (ev): -25.0907 -25.0907 -25.0482 -25.0482 -8.9525 -8.9525 -8.7168 -8.7168 -8.6935 -8.6935 -8.5464 -8.5464 -8.4747 -8.4747 -8.4270 -8.4270 -8.4135 -8.4135 -1.8138 -1.8138 0.4523 0.4523 1.6991 1.6991 1.8513 1.8513 2.6570 2.6570 2.9000 2.9000 3.2339 3.2339 3.7003 3.7003 4.1974 4.1974 8.7656 8.7656 9.2926 9.2926 9.5730 9.5730 9.6749 9.6749 k = 0.0000 0.0000 0.1425 ( 3512 PWs) bands (ev): -25.0903 -25.0903 -25.0486 -25.0486 -8.9501 -8.9501 -8.7186 -8.7186 -8.6918 -8.6918 -8.5451 -8.5451 -8.4769 -8.4769 -8.4282 -8.4282 -8.4076 -8.4076 -1.9081 -1.9081 0.5684 0.5684 1.6429 1.6429 1.7965 1.7965 2.6903 2.6903 2.9393 2.9393 3.2981 3.2981 3.7516 3.7516 4.1973 4.1973 8.7438 8.7438 9.1803 9.1803 9.5573 9.5573 9.6226 9.6226 k = 0.0000 0.0000 0.1584 ( 3506 PWs) bands (ev): -25.0899 -25.0899 -25.0490 -25.0490 -8.9475 -8.9475 -8.7207 -8.7207 -8.6898 -8.6898 -8.5438 -8.5438 -8.4792 -8.4792 -8.4295 -8.4295 -8.4012 -8.4012 -2.0016 -2.0016 0.6858 0.6858 1.5888 1.5888 1.7434 1.7434 2.7189 2.7189 2.9737 2.9737 3.3692 3.3692 3.8103 3.8103 4.1973 4.1973 8.7197 8.7197 9.0698 9.0698 9.4392 9.4392 9.6755 9.6755 k = 0.0000 0.0000 0.1742 ( 3506 PWs) bands (ev): -25.0895 -25.0895 -25.0494 -25.0494 -8.9447 -8.9447 -8.7229 -8.7229 -8.6876 -8.6876 -8.5423 -8.5423 -8.4816 -8.4816 -8.4309 -8.4309 -8.3945 -8.3945 -2.0936 -2.0936 0.8036 0.8036 1.5371 1.5371 1.6920 1.6920 2.7436 2.7436 3.0032 3.0032 3.4460 3.4460 3.8759 3.8759 4.1973 4.1973 8.6911 8.6911 8.9639 8.9639 9.3208 9.3208 9.7312 9.7312 k = 0.0000 0.0000 0.1900 ( 3500 PWs) bands (ev): -25.0889 -25.0889 -25.0498 -25.0498 -8.9417 -8.9417 -8.7253 -8.7253 -8.6853 -8.6853 -8.5407 -8.5407 -8.4840 -8.4840 -8.4324 -8.4324 -8.3874 -8.3874 -2.1837 -2.1837 0.9207 0.9207 1.4880 1.4880 1.6426 1.6426 2.7652 2.7652 3.0281 3.0281 3.5274 3.5274 3.9478 3.9478 4.1975 4.1975 8.6522 8.6522 8.8688 8.8688 9.2021 9.2021 9.7894 9.7894 k = 0.0000 0.0000 0.2059 ( 3500 PWs) bands (ev): -25.0884 -25.0884 -25.0503 -25.0503 -8.9386 -8.9386 -8.7279 -8.7279 -8.6829 -8.6829 -8.5390 -8.5390 -8.4865 -8.4865 -8.4341 -8.4341 -8.3799 -8.3799 -2.2712 -2.2712 1.0362 1.0362 1.4420 1.4420 1.5952 1.5952 2.7843 2.7843 3.0491 3.0491 3.6122 3.6122 4.0252 4.0252 4.1979 4.1979 8.5935 8.5935 8.7945 8.7945 9.0833 9.0833 9.8494 9.8494 k = 0.0000 0.0000 0.2217 ( 3500 PWs) bands (ev): -25.0879 -25.0879 -25.0508 -25.0508 -8.9354 -8.9354 -8.7306 -8.7306 -8.6804 -8.6804 -8.5372 -8.5372 -8.4891 -8.4891 -8.4358 -8.4358 -8.3723 -8.3723 -2.3558 -2.3558 1.1479 1.1479 1.4006 1.4006 1.5500 1.5500 2.8015 2.8015 3.0666 3.0666 3.6996 3.6996 4.1073 4.1073 4.1986 4.1986 8.5106 8.5106 8.7456 8.7456 8.9647 8.9647 9.9109 9.9109 k = 0.0000 0.0000 0.2375 ( 3524 PWs) bands (ev): -25.0874 -25.0874 -25.0514 -25.0514 -8.9321 -8.9321 -8.7334 -8.7334 -8.6778 -8.6778 -8.5353 -8.5353 -8.4917 -8.4917 -8.4377 -8.4377 -8.3644 -8.3644 -2.4373 -2.4373 1.2470 1.2470 1.3720 1.3720 1.5071 1.5071 2.8171 2.8171 3.0812 3.0812 3.7886 3.7886 4.1932 4.1932 4.1999 4.1999 8.4116 8.4116 8.7142 8.7142 8.8462 8.8462 9.9732 9.9732 k = 0.0000 0.0000 0.2534 ( 3524 PWs) bands (ev): -25.0869 -25.0869 -25.0520 -25.0520 -8.9287 -8.9287 -8.7363 -8.7363 -8.6752 -8.6752 -8.5333 -8.5333 -8.4943 -8.4943 -8.4397 -8.4397 -8.3564 -8.3564 -2.5152 -2.5152 1.2820 1.2820 1.4073 1.4073 1.4665 1.4665 2.8314 2.8314 3.0933 3.0933 3.8781 3.8781 4.2022 4.2022 4.2821 4.2821 8.3056 8.3056 8.6918 8.6918 8.7285 8.7285 10.0354 10.0354 k = 0.0000 0.0000 0.2692 ( 3524 PWs) bands (ev): -25.0863 -25.0863 -25.0525 -25.0525 -8.9253 -8.9253 -8.7392 -8.7392 -8.6726 -8.6726 -8.5312 -8.5312 -8.4969 -8.4969 -8.4417 -8.4417 -8.3484 -8.3484 -2.5893 -2.5893 1.2578 1.2578 1.4284 1.4284 1.5011 1.5011 2.8445 2.8445 3.1035 3.1035 3.9662 3.9662 4.2066 4.2066 4.3732 4.3732 8.1969 8.1969 8.6116 8.6116 8.6743 8.6743 10.0964 10.0964 k = 0.0000 0.0000 0.2850 ( 3536 PWs) bands (ev): -25.0857 -25.0857 -25.0532 -25.0532 -8.9219 -8.9219 -8.7422 -8.7422 -8.6699 -8.6699 -8.5291 -8.5291 -8.4995 -8.4995 -8.4438 -8.4438 -8.3404 -8.3404 -2.6593 -2.6593 1.2261 1.2261 1.3926 1.3926 1.6011 1.6011 2.8566 2.8566 3.1119 3.1119 4.0490 4.0490 4.2166 4.2166 4.4658 4.4658 8.0879 8.0879 8.4960 8.4960 8.6597 8.6597 10.1544 10.1544 k = 0.0000 0.0000 0.3009 ( 3548 PWs) bands (ev): -25.0851 -25.0851 -25.0538 -25.0538 -8.9185 -8.9185 -8.7452 -8.7452 -8.6673 -8.6673 -8.5269 -8.5269 -8.5021 -8.5021 -8.4459 -8.4459 -8.3325 -8.3325 -2.7252 -2.7252 1.1947 1.1947 1.3594 1.3594 1.6990 1.6990 2.8676 2.8676 3.1190 3.1190 4.1159 4.1159 4.2422 4.2422 4.5591 4.5591 7.9800 7.9800 8.3821 8.3821 8.6473 8.6473 10.2076 10.2076 k = 0.0000 0.0000 0.3167 ( 3548 PWs) bands (ev): -25.0845 -25.0845 -25.0543 -25.0543 -8.9152 -8.9152 -8.7482 -8.7482 -8.6648 -8.6648 -8.5247 -8.5247 -8.5046 -8.5046 -8.4481 -8.4481 -8.3248 -8.3248 -2.7865 -2.7865 1.1652 1.1652 1.3287 1.3287 1.7927 1.7927 2.8777 2.8777 3.1250 3.1250 4.1520 4.1520 4.2974 4.2974 4.6524 4.6524 7.8740 7.8740 8.2705 8.2705 8.6364 8.6364 10.2532 10.2532 k = 0.0000 0.0000 0.3326 ( 3548 PWs) bands (ev): -25.0839 -25.0839 -25.0549 -25.0549 -8.9119 -8.9119 -8.7512 -8.7512 -8.6623 -8.6623 -8.5225 -8.5225 -8.5071 -8.5071 -8.4503 -8.4503 -8.3173 -8.3173 -2.8432 -2.8432 1.1379 1.1379 1.3006 1.3006 1.8813 1.8813 2.8867 2.8867 3.1300 3.1300 4.1661 4.1661 4.3730 4.3730 4.7448 4.7448 7.7709 7.7709 8.1617 8.1617 8.6270 8.6270 10.2888 10.2888 k = 0.0000 0.0000 0.3484 ( 3548 PWs) bands (ev): -25.0833 -25.0833 -25.0555 -25.0555 -8.9088 -8.9088 -8.7540 -8.7540 -8.6599 -8.6599 -8.5203 -8.5203 -8.5094 -8.5094 -8.4524 -8.4524 -8.3102 -8.3102 -2.8951 -2.8951 1.1130 1.1130 1.2751 1.2751 1.9641 1.9641 2.8947 2.8947 3.1341 3.1341 4.1721 4.1721 4.4541 4.4541 4.8354 4.8354 7.6716 7.6716 8.0567 8.0567 8.6188 8.6188 10.3126 10.3126 k = 0.0000 0.0000 0.3642 ( 3560 PWs) bands (ev): -25.0828 -25.0828 -25.0561 -25.0561 -8.9059 -8.9059 -8.7567 -8.7567 -8.6577 -8.6577 -8.5181 -8.5181 -8.5116 -8.5116 -8.4546 -8.4546 -8.3037 -8.3037 -2.9420 -2.9420 1.0906 1.0906 1.2522 1.2522 2.0405 2.0405 2.9017 2.9017 3.1376 3.1376 4.1751 4.1751 4.5347 4.5347 4.9231 4.9231 7.5771 7.5771 7.9562 7.9562 8.6117 8.6117 10.3248 10.3248 k = 0.0000 0.0000 0.3801 ( 3572 PWs) bands (ev): -25.0823 -25.0823 -25.0566 -25.0566 -8.9031 -8.9031 -8.7593 -8.7593 -8.6556 -8.6556 -8.5160 -8.5160 -8.5136 -8.5136 -8.4567 -8.4567 -8.2976 -8.2976 -2.9837 -2.9837 1.0708 1.0708 1.2320 1.2320 2.1097 2.1097 2.9076 2.9076 3.1405 3.1405 4.1767 4.1767 4.6120 4.6120 5.0067 5.0067 7.4884 7.4884 7.8616 7.8616 8.6057 8.6057 10.3270 10.3270 k = 0.0000 0.0000 0.3959 ( 3560 PWs) bands (ev): -25.0817 -25.0817 -25.0571 -25.0571 -8.9006 -8.9006 -8.7616 -8.7616 -8.6538 -8.6538 -8.5155 -8.5155 -8.5139 -8.5139 -8.4587 -8.4587 -8.2921 -8.2921 -3.0201 -3.0201 1.0536 1.0536 1.2145 1.2145 2.1713 2.1713 2.9125 2.9125 3.1429 3.1429 4.1777 4.1777 4.6842 4.6842 5.0849 5.0849 7.4068 7.4068 7.7740 7.7740 8.6006 8.6006 10.3223 10.3223 k = 0.0000 0.0000 0.4117 ( 3554 PWs) bands (ev): -25.0813 -25.0813 -25.0575 -25.0575 -8.8983 -8.8983 -8.7637 -8.7637 -8.6521 -8.6521 -8.5171 -8.5171 -8.5121 -8.5121 -8.4605 -8.4605 -8.2874 -8.2874 -3.0512 -3.0512 1.0389 1.0389 1.1996 1.1996 2.2246 2.2246 2.9164 2.9164 3.1448 3.1448 4.1784 4.1784 4.7495 4.7495 5.1558 5.1558 7.3338 7.3338 7.6951 7.6951 8.5965 8.5965 10.3137 10.3137 k = 0.0000 0.0000 0.4276 ( 3554 PWs) bands (ev): -25.0809 -25.0809 -25.0579 -25.0579 -8.8964 -8.8964 -8.7655 -8.7655 -8.6507 -8.6507 -8.5185 -8.5185 -8.5104 -8.5104 -8.4621 -8.4621 -8.2834 -8.2834 -3.0767 -3.0767 1.0270 1.0270 1.1874 1.1874 2.2692 2.2692 2.9193 2.9193 3.1463 3.1463 4.1788 4.1788 4.8061 4.8061 5.2177 5.2177 7.2709 7.2709 7.6268 7.6268 8.5931 8.5931 10.3036 10.3036 k = 0.0000 0.0000 0.4434 ( 3554 PWs) bands (ev): -25.0806 -25.0806 -25.0582 -25.0582 -8.8949 -8.8949 -8.7669 -8.7669 -8.6496 -8.6496 -8.5196 -8.5196 -8.5090 -8.5090 -8.4635 -8.4635 -8.2803 -8.2803 -3.0967 -3.0967 1.0176 1.0176 1.1779 1.1779 2.3045 2.3045 2.9215 2.9215 3.1474 3.1474 4.1790 4.1790 4.8526 4.8526 5.2687 5.2687 7.2197 7.2197 7.5707 7.5707 8.5906 8.5906 10.2939 10.2939 k = 0.0000 0.0000 0.4592 ( 3554 PWs) bands (ev): -25.0804 -25.0804 -25.0584 -25.0584 -8.8938 -8.8938 -8.7680 -8.7680 -8.6488 -8.6488 -8.5204 -8.5204 -8.5079 -8.5079 -8.4646 -8.4646 -8.2780 -8.2780 -3.1110 -3.1110 1.0110 1.0110 1.1711 1.1711 2.3300 2.3300 2.9229 2.9229 3.1482 3.1482 4.1791 4.1791 4.8871 4.8871 5.3069 5.3069 7.1817 7.1817 7.5290 7.5290 8.5888 8.5888 10.2862 10.2862 k = 0.0000 0.0000 0.4751 ( 3548 PWs) bands (ev): -25.0802 -25.0802 -25.0585 -25.0585 -8.8931 -8.8931 -8.7686 -8.7686 -8.6483 -8.6483 -8.5208 -8.5208 -8.5072 -8.5072 -8.4652 -8.4652 -8.2766 -8.2766 -3.1196 -3.1196 1.0069 1.0069 1.1670 1.1670 2.3455 2.3455 2.9237 2.9237 3.1487 3.1487 4.1792 4.1792 4.9085 4.9085 5.3306 5.3306 7.1584 7.1584 7.5032 7.5032 8.5878 8.5878 10.2812 10.2812 k = 0.0000 0.0000 0.4909 ( 3548 PWs) bands (ev): -25.0802 -25.0802 -25.0585 -25.0585 -8.8929 -8.8929 -8.7688 -8.7688 -8.6481 -8.6481 -8.5210 -8.5210 -8.5070 -8.5070 -8.4655 -8.4655 -8.2761 -8.2761 -3.1225 -3.1225 1.0056 1.0056 1.1657 1.1657 2.3507 2.3507 2.9239 2.9239 3.1488 3.1488 4.1793 4.1793 4.9157 4.9157 5.3386 5.3386 7.1505 7.1505 7.4945 7.4945 8.5874 8.5874 10.2795 10.2795 k = 0.0000 0.0000 0.4909 ( 3548 PWs) bands (ev): -25.0802 -25.0802 -25.0585 -25.0585 -8.8929 -8.8929 -8.7688 -8.7688 -8.6481 -8.6481 -8.5210 -8.5210 -8.5070 -8.5070 -8.4655 -8.4655 -8.2761 -8.2761 -3.1225 -3.1225 1.0056 1.0056 1.1657 1.1657 2.3507 2.3507 2.9239 2.9239 3.1488 3.1488 4.1793 4.1793 4.9157 4.9157 5.3386 5.3386 7.1505 7.1505 7.4945 7.4945 8.5874 8.5874 10.2795 10.2795 k = 0.0139 0.0080 0.4909 ( 3550 PWs) bands (ev): -25.0801 -25.0801 -25.0586 -25.0586 -8.8932 -8.8932 -8.7692 -8.7692 -8.6480 -8.6480 -8.5217 -8.5217 -8.5064 -8.5064 -8.4655 -8.4655 -8.2755 -8.2755 -3.1223 -3.1223 1.0055 1.0055 1.1656 1.1656 2.3510 2.3510 2.9246 2.9246 3.1489 3.1489 4.1794 4.1794 4.9156 4.9156 5.3386 5.3386 7.1495 7.1495 7.4934 7.4934 8.5892 8.5892 10.2805 10.2805 k = 0.0278 0.0160 0.4909 ( 3558 PWs) bands (ev): -25.0801 -25.0801 -25.0586 -25.0586 -8.8943 -8.8943 -8.7701 -8.7701 -8.6477 -8.6477 -8.5234 -8.5234 -8.5048 -8.5048 -8.4658 -8.4658 -8.2737 -8.2737 -3.1219 -3.1219 1.0053 1.0053 1.1652 1.1652 2.3521 2.3521 2.9268 2.9268 3.1490 3.1490 4.1797 4.1797 4.9153 4.9153 5.3383 5.3383 7.1466 7.1466 7.4904 7.4904 8.5946 8.5946 10.2835 10.2835 k = 0.0417 0.0241 0.4909 ( 3566 PWs) bands (ev): -25.0801 -25.0801 -25.0587 -25.0587 -8.8962 -8.8962 -8.7716 -8.7716 -8.6472 -8.6472 -8.5258 -8.5258 -8.5028 -8.5028 -8.4661 -8.4661 -8.2707 -8.2707 -3.1210 -3.1210 1.0049 1.0049 1.1648 1.1648 2.3538 2.3538 2.9303 2.9303 3.1492 3.1492 4.1802 4.1802 4.9149 4.9149 5.3379 5.3379 7.1416 7.1416 7.4856 7.4856 8.6036 8.6036 10.2883 10.2883 k = 0.0556 0.0321 0.4909 ( 3566 PWs) bands (ev): -25.0800 -25.0800 -25.0587 -25.0587 -8.8987 -8.8987 -8.7736 -8.7736 -8.6466 -8.6466 -8.5284 -8.5284 -8.5005 -8.5005 -8.4665 -8.4665 -8.2665 -8.2665 -3.1199 -3.1199 1.0044 1.0044 1.1642 1.1642 2.3562 2.3562 2.9352 2.9352 3.1495 3.1495 4.1809 4.1809 4.9143 4.9143 5.3373 5.3373 7.1343 7.1343 7.4794 7.4794 8.6161 8.6161 10.2947 10.2947 k = 0.0694 0.0401 0.4909 ( 3574 PWs) bands (ev): -25.0799 -25.0799 -25.0588 -25.0588 -8.9019 -8.9019 -8.7760 -8.7760 -8.6459 -8.6459 -8.5312 -8.5312 -8.4982 -8.4982 -8.4670 -8.4670 -8.2613 -8.2613 -3.1184 -3.1184 1.0037 1.0037 1.1635 1.1635 2.3592 2.3592 2.9416 2.9416 3.1499 3.1499 4.1818 4.1818 4.9135 4.9135 5.3366 5.3366 7.1243 7.1243 7.4723 7.4723 8.6321 8.6321 10.3024 10.3024 k = 0.0833 0.0481 0.4909 ( 3574 PWs) bands (ev): -25.0798 -25.0798 -25.0588 -25.0588 -8.9058 -8.9058 -8.7788 -8.7788 -8.6451 -8.6451 -8.5341 -8.5341 -8.4959 -8.4959 -8.4675 -8.4675 -8.2552 -8.2552 -3.1167 -3.1167 1.0028 1.0028 1.1628 1.1628 2.3629 2.3629 2.9492 2.9492 3.1504 3.1504 4.1829 4.1829 4.9127 4.9127 5.3357 5.3357 7.1113 7.1113 7.4648 7.4648 8.6514 8.6514 10.3110 10.3110 k = 0.0972 0.0561 0.4909 ( 3570 PWs) bands (ev): -25.0797 -25.0797 -25.0589 -25.0589 -8.9103 -8.9103 -8.7818 -8.7818 -8.6444 -8.6444 -8.5370 -8.5370 -8.4938 -8.4938 -8.4680 -8.4680 -8.2482 -8.2482 -3.1146 -3.1146 1.0017 1.0017 1.1621 1.1621 2.3671 2.3671 2.9582 2.9582 3.1510 3.1510 4.1841 4.1841 4.9117 4.9117 5.3348 5.3348 7.0950 7.0950 7.4576 7.4576 8.6741 8.6741 10.3201 10.3201 k = 0.1111 0.0642 0.4909 ( 3574 PWs) bands (ev): -25.0795 -25.0795 -25.0590 -25.0590 -8.9153 -8.9153 -8.7850 -8.7850 -8.6438 -8.6438 -8.5399 -8.5399 -8.4917 -8.4917 -8.4684 -8.4684 -8.2404 -8.2404 -3.1123 -3.1123 1.0004 1.0004 1.1614 1.1614 2.3718 2.3718 2.9684 2.9684 3.1518 3.1518 4.1856 4.1856 4.9106 4.9106 5.3337 5.3337 7.0751 7.0751 7.4511 7.4511 8.6999 8.6999 10.3294 10.3294 k = 0.1250 0.0722 0.4909 ( 3570 PWs) bands (ev): -25.0793 -25.0793 -25.0591 -25.0591 -8.9209 -8.9209 -8.7883 -8.7883 -8.6433 -8.6433 -8.5428 -8.5428 -8.4899 -8.4899 -8.4687 -8.4687 -8.2319 -8.2319 -3.1097 -3.1097 0.9987 0.9987 1.1608 1.1608 2.3770 2.3770 2.9798 2.9798 3.1526 3.1526 4.1873 4.1873 4.9094 4.9094 5.3324 5.3324 7.0515 7.0515 7.4458 7.4458 8.7288 8.7288 10.3385 10.3385 k = 0.1389 0.0802 0.4909 ( 3566 PWs) bands (ev): -25.0791 -25.0791 -25.0592 -25.0592 -8.9268 -8.9268 -8.7917 -8.7917 -8.6430 -8.6430 -8.5456 -8.5456 -8.4883 -8.4883 -8.4688 -8.4688 -8.2229 -8.2229 -3.1069 -3.1069 0.9968 0.9968 1.1603 1.1603 2.3826 2.3826 2.9923 2.9923 3.1537 3.1537 4.1891 4.1891 4.9082 4.9082 5.3312 5.3312 7.0241 7.0241 7.4419 7.4419 8.7605 8.7605 10.3471 10.3471 k = 0.1528 0.0882 0.4909 ( 3560 PWs) bands (ev): -25.0789 -25.0789 -25.0594 -25.0594 -8.9332 -8.9332 -8.7951 -8.7951 -8.6428 -8.6428 -8.5485 -8.5485 -8.4869 -8.4869 -8.4687 -8.4687 -8.2134 -8.2134 -3.1039 -3.1039 0.9946 0.9946 1.1600 1.1600 2.3886 2.3886 3.0058 3.0058 3.1550 3.1550 4.1911 4.1911 4.9069 4.9069 5.3298 5.3298 6.9932 6.9932 7.4395 7.4395 8.7949 8.7949 10.3550 10.3550 k = 0.1667 0.0962 0.4909 ( 3560 PWs) bands (ev): -25.0786 -25.0786 -25.0595 -25.0595 -8.9399 -8.9399 -8.7985 -8.7985 -8.6428 -8.6428 -8.5512 -8.5512 -8.4858 -8.4858 -8.4685 -8.4685 -8.2036 -8.2036 -3.1007 -3.1007 0.9922 0.9922 1.1600 1.1600 2.3949 2.3949 3.0202 3.0202 3.1566 3.1566 4.1933 4.1933 4.9057 4.9057 5.3283 5.3283 6.9589 6.9589 7.4385 7.4385 8.8318 8.8318 10.3620 10.3620 k = 0.1806 0.1042 0.4909 ( 3564 PWs) bands (ev): -25.0784 -25.0784 -25.0597 -25.0597 -8.9468 -8.9468 -8.8018 -8.8018 -8.6429 -8.6429 -8.5540 -8.5540 -8.4849 -8.4849 -8.4680 -8.4680 -8.1935 -8.1935 -3.0973 -3.0973 0.9894 0.9894 1.1602 1.1602 2.4014 2.4014 3.0353 3.0353 3.1586 3.1586 4.1957 4.1957 4.9044 4.9044 5.3269 5.3269 6.9217 6.9217 7.4390 7.4390 8.8708 8.8708 10.3681 10.3681 k = 0.1944 0.1123 0.4909 ( 3556 PWs) bands (ev): -25.0781 -25.0781 -25.0598 -25.0598 -8.9538 -8.9538 -8.8051 -8.8051 -8.6431 -8.6431 -8.5567 -8.5567 -8.4842 -8.4842 -8.4674 -8.4674 -8.1832 -8.1832 -3.0938 -3.0938 0.9864 0.9864 1.1607 1.1607 2.4081 2.4081 3.0508 3.0508 3.1612 3.1612 4.1981 4.1981 4.9032 4.9032 5.3253 5.3253 6.8819 6.8819 7.4408 7.4408 8.9118 8.9118 10.3730 10.3730 k = 0.2083 0.1203 0.4909 ( 3564 PWs) bands (ev): -25.0778 -25.0778 -25.0600 -25.0600 -8.9610 -8.9610 -8.8083 -8.8083 -8.6435 -8.6435 -8.5595 -8.5595 -8.4837 -8.4837 -8.4667 -8.4667 -8.1728 -8.1728 -3.0902 -3.0902 0.9831 0.9831 1.1614 1.1614 2.4149 2.4149 3.0664 3.0664 3.1647 3.1647 4.2008 4.2008 4.9021 4.9021 5.3238 5.3238 6.8399 6.8399 7.4437 7.4437 8.9545 8.9545 10.3768 10.3768 k = 0.2222 0.1283 0.4909 ( 3554 PWs) bands (ev): -25.0775 -25.0775 -25.0602 -25.0602 -8.9682 -8.9682 -8.8114 -8.8114 -8.6440 -8.6440 -8.5622 -8.5622 -8.4832 -8.4832 -8.4658 -8.4658 -8.1624 -8.1624 -3.0865 -3.0865 0.9796 0.9796 1.1624 1.1624 2.4218 2.4218 3.0815 3.0815 3.1695 3.1695 4.2035 4.2035 4.9011 4.9011 5.3223 5.3223 6.7962 6.7962 7.4475 7.4475 8.9985 8.9985 10.3794 10.3794 k = 0.2361 0.1363 0.4909 ( 3562 PWs) bands (ev): -25.0772 -25.0772 -25.0604 -25.0604 -8.9753 -8.9753 -8.8144 -8.8144 -8.6445 -8.6445 -8.5648 -8.5648 -8.4829 -8.4829 -8.4650 -8.4650 -8.1521 -8.1521 -3.0827 -3.0827 0.9759 0.9759 1.1636 1.1636 2.4286 2.4286 3.0954 3.0954 3.1762 3.1762 4.2064 4.2064 4.9002 4.9002 5.3207 5.3207 6.7510 6.7510 7.4521 7.4521 9.0435 9.0435 10.3807 10.3807 k = 0.2500 0.1443 0.4909 ( 3562 PWs) bands (ev): -25.0769 -25.0769 -25.0607 -25.0607 -8.9824 -8.9824 -8.8173 -8.8173 -8.6452 -8.6452 -8.5675 -8.5675 -8.4825 -8.4825 -8.4642 -8.4642 -8.1418 -8.1418 -3.0789 -3.0789 0.9722 0.9722 1.1650 1.1650 2.4354 2.4354 3.1073 3.1073 3.1855 3.1855 4.2093 4.2093 4.8995 4.8995 5.3192 5.3192 6.7049 6.7049 7.4572 7.4572 9.0891 9.0891 10.3804 10.3804 k = 0.2639 0.1524 0.4909 ( 3558 PWs) bands (ev): -25.0766 -25.0766 -25.0609 -25.0609 -8.9894 -8.9894 -8.8200 -8.8200 -8.6458 -8.6458 -8.5701 -8.5701 -8.4822 -8.4822 -8.4635 -8.4635 -8.1318 -8.1318 -3.0751 -3.0751 0.9683 0.9683 1.1666 1.1666 2.4422 2.4422 3.1168 3.1168 3.1978 3.1978 4.2123 4.2123 4.8989 4.8989 5.3178 5.3178 6.6581 6.6581 7.4629 7.4629 9.1350 9.1350 10.3780 10.3780 k = 0.2778 0.1604 0.4909 ( 3560 PWs) bands (ev): -25.0762 -25.0762 -25.0611 -25.0611 -8.9961 -8.9961 -8.8227 -8.8227 -8.6465 -8.6465 -8.5727 -8.5727 -8.4819 -8.4819 -8.4628 -8.4628 -8.1220 -8.1220 -3.0714 -3.0714 0.9644 0.9644 1.1684 1.1684 2.4488 2.4488 3.1238 3.1238 3.2128 3.2128 4.2154 4.2154 4.8986 4.8986 5.3164 5.3164 6.6111 6.6111 7.4688 7.4688 9.1807 9.1807 10.3725 10.3725 k = 0.2917 0.1684 0.4909 ( 3552 PWs) bands (ev): -25.0759 -25.0759 -25.0613 -25.0613 -9.0027 -9.0027 -8.8252 -8.8252 -8.6472 -8.6472 -8.5752 -8.5752 -8.4815 -8.4815 -8.4622 -8.4622 -8.1125 -8.1125 -3.0676 -3.0676 0.9606 0.9606 1.1703 1.1703 2.4552 2.4552 3.1288 3.1288 3.2300 3.2300 4.2185 4.2185 4.8984 4.8984 5.3150 5.3150 6.5641 6.5641 7.4750 7.4750 9.2259 9.2259 10.3623 10.3623 k = 0.3056 0.1764 0.4909 ( 3552 PWs) bands (ev): -25.0755 -25.0755 -25.0616 -25.0616 -9.0090 -9.0090 -8.8275 -8.8275 -8.6478 -8.6478 -8.5777 -8.5777 -8.4811 -8.4811 -8.4616 -8.4616 -8.1034 -8.1034 -3.0640 -3.0640 0.9568 0.9568 1.1722 1.1722 2.4613 2.4613 3.1324 3.1324 3.2486 3.2486 4.2216 4.2216 4.8985 4.8985 5.3137 5.3137 6.5176 6.5176 7.4812 7.4812 9.2702 9.2702 10.3452 10.3452 k = 0.3194 0.1844 0.4909 ( 3554 PWs) bands (ev): -25.0752 -25.0752 -25.0619 -25.0619 -9.0149 -9.0149 -8.8298 -8.8298 -8.6485 -8.6485 -8.5801 -8.5801 -8.4807 -8.4807 -8.4612 -8.4612 -8.0947 -8.0947 -3.0605 -3.0605 0.9530 0.9530 1.1743 1.1743 2.4672 2.4672 3.1351 3.1351 3.2679 3.2679 4.2248 4.2248 4.8988 4.8988 5.3125 5.3125 6.4719 6.4719 7.4875 7.4875 9.3133 9.3133 10.3199 10.3199 k = 0.3333 0.1925 0.4909 ( 3554 PWs) bands (ev): -25.0748 -25.0748 -25.0621 -25.0621 -9.0206 -9.0206 -8.8318 -8.8318 -8.6491 -8.6491 -8.5824 -8.5824 -8.4803 -8.4803 -8.4609 -8.4609 -8.0864 -8.0864 -3.0572 -3.0572 0.9494 0.9494 1.1763 1.1763 2.4728 2.4728 3.1371 3.1371 3.2875 3.2875 4.2278 4.2278 4.8993 4.8993 5.3114 5.3114 6.4273 6.4273 7.4936 7.4936 9.3549 9.3549 10.2868 10.2868 k = 0.3472 0.2005 0.4909 ( 3554 PWs) bands (ev): -25.0745 -25.0745 -25.0624 -25.0624 -9.0259 -9.0259 -8.8338 -8.8338 -8.6496 -8.6496 -8.5846 -8.5846 -8.4799 -8.4799 -8.4606 -8.4606 -8.0787 -8.0787 -3.0540 -3.0540 0.9460 0.9460 1.1783 1.1783 2.4781 2.4781 3.1387 3.1387 3.3069 3.3069 4.2309 4.2309 4.9001 4.9001 5.3104 5.3104 6.3843 6.3843 7.4995 7.4995 9.3947 9.3947 10.2482 10.2482 k = 0.3611 0.2085 0.4909 ( 3548 PWs) bands (ev): -25.0741 -25.0741 -25.0626 -25.0626 -9.0308 -9.0308 -8.8356 -8.8356 -8.6501 -8.6501 -8.5867 -8.5867 -8.4794 -8.4794 -8.4605 -8.4605 -8.0715 -8.0715 -3.0510 -3.0510 0.9428 0.9428 1.1802 1.1802 2.4830 2.4830 3.1399 3.1399 3.3258 3.3258 4.2338 4.2338 4.9011 4.9011 5.3095 5.3095 6.3432 6.3432 7.5051 7.5051 9.4326 9.4326 10.2067 10.2067 k = 0.3750 0.2165 0.4909 ( 3548 PWs) bands (ev): -25.0738 -25.0738 -25.0629 -25.0629 -9.0353 -9.0353 -8.8372 -8.8372 -8.6506 -8.6506 -8.5887 -8.5887 -8.4789 -8.4789 -8.4604 -8.4604 -8.0649 -8.0649 -3.0482 -3.0482 0.9398 0.9398 1.1821 1.1821 2.4875 2.4875 3.1409 3.1409 3.3440 3.3440 4.2366 4.2366 4.9022 4.9022 5.3086 5.3086 6.3044 6.3044 7.5105 7.5105 9.4685 9.4685 10.1644 10.1644 k = 0.3889 0.2245 0.4909 ( 3544 PWs) bands (ev): -25.0734 -25.0734 -25.0631 -25.0631 -9.0394 -9.0394 -8.8386 -8.8386 -8.6510 -8.6510 -8.5905 -8.5905 -8.4785 -8.4785 -8.4604 -8.4604 -8.0588 -8.0588 -3.0456 -3.0456 0.9371 0.9371 1.1838 1.1838 2.4916 2.4916 3.1417 3.1417 3.3611 3.3611 4.2392 4.2392 4.9035 4.9035 5.3079 5.3079 6.2683 6.2683 7.5154 7.5154 9.5023 9.5023 10.1225 10.1225 k = 0.4028 0.2325 0.4909 ( 3552 PWs) bands (ev): -25.0731 -25.0731 -25.0634 -25.0634 -9.0430 -9.0430 -8.8399 -8.8399 -8.6513 -8.6513 -8.5922 -8.5922 -8.4780 -8.4780 -8.4604 -8.4604 -8.0535 -8.0535 -3.0433 -3.0433 0.9346 0.9346 1.1854 1.1854 2.4953 2.4953 3.1424 3.1424 3.3769 3.3769 4.2416 4.2416 4.9048 4.9048 5.3072 5.3072 6.2352 6.2352 7.5198 7.5198 9.5340 9.5340 10.0820 10.0820 k = 0.4167 0.2406 0.4909 ( 3552 PWs) bands (ev): -25.0728 -25.0728 -25.0636 -25.0636 -9.0462 -9.0462 -8.8411 -8.8411 -8.6516 -8.6516 -8.5937 -8.5937 -8.4776 -8.4776 -8.4605 -8.4605 -8.0488 -8.0488 -3.0413 -3.0413 0.9324 0.9324 1.1868 1.1868 2.4985 2.4985 3.1429 3.1429 3.3911 3.3911 4.2438 4.2438 4.9062 4.9062 5.3067 5.3067 6.2056 6.2056 7.5238 7.5238 9.5637 9.5637 10.0435 10.0435 k = 0.4306 0.2486 0.4909 ( 3548 PWs) bands (ev): -25.0726 -25.0726 -25.0638 -25.0638 -9.0489 -9.0489 -8.8420 -8.8420 -8.6519 -8.6519 -8.5950 -8.5950 -8.4772 -8.4772 -8.4606 -8.4606 -8.0447 -8.0447 -3.0396 -3.0396 0.9305 0.9305 1.1881 1.1881 2.5012 2.5012 3.1433 3.1433 3.4035 3.4035 4.2457 4.2457 4.9075 4.9075 5.3063 5.3063 6.1799 6.1799 7.5272 7.5272 9.5912 9.5912 10.0078 10.0078 k = 0.4444 0.2566 0.4909 ( 3546 PWs) bands (ev): -25.0724 -25.0724 -25.0640 -25.0640 -9.0511 -9.0511 -8.8428 -8.8428 -8.6521 -8.6521 -8.5960 -8.5960 -8.4768 -8.4768 -8.4608 -8.4608 -8.0414 -8.0414 -3.0381 -3.0381 0.9290 0.9290 1.1891 1.1891 2.5035 2.5035 3.1436 3.1436 3.4140 3.4140 4.2474 4.2474 4.9088 4.9088 5.3059 5.3059 6.1582 6.1582 7.5301 7.5301 9.6162 9.6162 9.9754 9.9754 k = 0.4583 0.2646 0.4909 ( 3548 PWs) bands (ev): -25.0722 -25.0722 -25.0641 -25.0641 -9.0529 -9.0529 -8.8434 -8.8434 -8.6522 -8.6522 -8.5969 -8.5969 -8.4765 -8.4765 -8.4609 -8.4609 -8.0388 -8.0388 -3.0370 -3.0370 0.9278 0.9278 1.1899 1.1899 2.5052 2.5052 3.1439 3.1439 3.4223 3.4223 4.2487 4.2487 4.9098 4.9098 5.3056 5.3056 6.1411 6.1411 7.5323 7.5323 9.6382 9.6382 9.9474 9.9474 k = 0.4722 0.2726 0.4909 ( 3550 PWs) bands (ev): -25.0721 -25.0721 -25.0642 -25.0642 -9.0541 -9.0541 -8.8439 -8.8439 -8.6523 -8.6523 -8.5975 -8.5975 -8.4763 -8.4763 -8.4610 -8.4610 -8.0369 -8.0369 -3.0362 -3.0362 0.9269 0.9269 1.1905 1.1905 2.5065 2.5065 3.1440 3.1440 3.4283 3.4283 4.2496 4.2496 4.9106 4.9106 5.3055 5.3055 6.1286 6.1286 7.5339 7.5339 9.6561 9.6561 9.9250 9.9250 k = 0.4861 0.2807 0.4909 ( 3560 PWs) bands (ev): -25.0720 -25.0720 -25.0643 -25.0643 -9.0549 -9.0549 -8.8441 -8.8441 -8.6524 -8.6524 -8.5979 -8.5979 -8.4762 -8.4762 -8.4610 -8.4610 -8.0358 -8.0358 -3.0357 -3.0357 0.9264 0.9264 1.1909 1.1909 2.5072 2.5072 3.1441 3.1441 3.4320 3.4320 4.2502 4.2502 4.9111 4.9111 5.3053 5.3053 6.1211 6.1211 7.5349 7.5349 9.6681 9.6681 9.9102 9.9102 k = 0.5000 0.2887 0.4909 ( 3572 PWs) bands (ev): -25.0720 -25.0720 -25.0644 -25.0644 -9.0552 -9.0552 -8.8442 -8.8442 -8.6524 -8.6524 -8.5980 -8.5980 -8.4762 -8.4762 -8.4611 -8.4611 -8.0355 -8.0355 -3.0355 -3.0355 0.9262 0.9262 1.1910 1.1910 2.5074 2.5074 3.1442 3.1442 3.4332 3.4332 4.2504 4.2504 4.9112 4.9112 5.3053 5.3053 6.1185 6.1185 7.5352 7.5352 9.6723 9.6723 9.9049 9.9049 k = 0.5000 0.2887 0.4909 ( 3572 PWs) bands (ev): -25.0720 -25.0720 -25.0644 -25.0644 -9.0552 -9.0552 -8.8442 -8.8442 -8.6524 -8.6524 -8.5980 -8.5980 -8.4762 -8.4762 -8.4611 -8.4611 -8.0355 -8.0355 -3.0355 -3.0355 0.9262 0.9262 1.1910 1.1910 2.5074 2.5074 3.1442 3.1442 3.4332 3.4332 4.2504 4.2504 4.9112 4.9112 5.3053 5.3053 6.1185 6.1185 7.5352 7.5352 9.6723 9.6723 9.9049 9.9049 k = 0.4921 0.3024 0.4909 ( 3560 PWs) bands (ev): -25.0720 -25.0720 -25.0644 -25.0644 -9.0551 -9.0551 -8.8442 -8.8442 -8.6536 -8.6536 -8.5971 -8.5971 -8.4767 -8.4767 -8.4604 -8.4604 -8.0353 -8.0353 -3.0355 -3.0355 0.9265 0.9265 1.1907 1.1907 2.5076 2.5076 3.1443 3.1443 3.4334 3.4334 4.2502 4.2502 4.9111 4.9111 5.3052 5.3052 6.1201 6.1201 7.5322 7.5322 9.6736 9.6736 9.9040 9.9040 k = 0.4841 0.3162 0.4909 ( 3556 PWs) bands (ev): -25.0719 -25.0719 -25.0644 -25.0644 -9.0549 -9.0549 -8.8442 -8.8442 -8.6568 -8.6568 -8.5945 -8.5945 -8.4782 -8.4782 -8.4588 -8.4588 -8.0350 -8.0350 -3.0353 -3.0353 0.9273 0.9273 1.1898 1.1898 2.5078 2.5078 3.1449 3.1449 3.4340 3.4340 4.2499 4.2499 4.9108 4.9108 5.3047 5.3047 6.1249 6.1249 7.5231 7.5231 9.6772 9.6772 9.9011 9.9011 k = 0.4762 0.3299 0.4909 ( 3552 PWs) bands (ev): -25.0719 -25.0719 -25.0644 -25.0644 -9.0546 -9.0546 -8.8441 -8.8441 -8.6617 -8.6617 -8.5909 -8.5909 -8.4801 -8.4801 -8.4567 -8.4567 -8.0345 -8.0345 -3.0350 -3.0350 0.9286 0.9286 1.1883 1.1883 2.5083 2.5083 3.1458 3.1458 3.4349 3.4349 4.2493 4.2493 4.9103 4.9103 5.3039 5.3039 6.1328 6.1328 7.5081 7.5081 9.6831 9.6831 9.8966 9.8966 k = 0.4683 0.3437 0.4909 ( 3552 PWs) bands (ev): -25.0718 -25.0718 -25.0645 -25.0645 -9.0543 -9.0543 -8.8440 -8.8440 -8.6676 -8.6676 -8.5867 -8.5867 -8.4823 -8.4823 -8.4542 -8.4542 -8.0338 -8.0338 -3.0345 -3.0345 0.9305 0.9305 1.1862 1.1862 2.5089 2.5089 3.1470 3.1470 3.4362 3.4362 4.2484 4.2484 4.9096 4.9096 5.3028 5.3028 6.1438 6.1438 7.4875 7.4875 9.6913 9.6913 9.8905 9.8905 k = 0.4603 0.3574 0.4909 ( 3552 PWs) bands (ev): -25.0717 -25.0717 -25.0646 -25.0646 -9.0538 -9.0538 -8.8439 -8.8439 -8.6742 -8.6742 -8.5823 -8.5823 -8.4845 -8.4845 -8.4515 -8.4515 -8.0329 -8.0329 -3.0340 -3.0340 0.9328 0.9328 1.1836 1.1836 2.5096 2.5096 3.1484 3.1484 3.4380 3.4380 4.2473 4.2473 4.9087 4.9087 5.3015 5.3015 6.1577 6.1577 7.4616 7.4616 9.7015 9.7015 9.8832 9.8832 k = 0.4524 0.3712 0.4909 ( 3560 PWs) bands (ev): -25.0716 -25.0716 -25.0647 -25.0647 -9.0533 -9.0533 -8.8438 -8.8438 -8.6810 -8.6810 -8.5780 -8.5780 -8.4866 -8.4866 -8.4488 -8.4488 -8.0318 -8.0318 -3.0334 -3.0334 0.9355 0.9355 1.1805 1.1805 2.5105 2.5105 3.1501 3.1501 3.4401 3.4401 4.2461 4.2461 4.9077 4.9077 5.3000 5.3000 6.1745 6.1745 7.4309 7.4309 9.7135 9.7135 9.8749 9.8749 k = 0.4444 0.3849 0.4909 ( 3560 PWs) bands (ev): -25.0715 -25.0715 -25.0648 -25.0648 -9.0527 -9.0527 -8.8437 -8.8437 -8.6881 -8.6881 -8.5740 -8.5740 -8.4886 -8.4886 -8.4462 -8.4462 -8.0306 -8.0306 -3.0327 -3.0327 0.9386 0.9386 1.1770 1.1770 2.5115 2.5115 3.1520 3.1520 3.4425 3.4425 4.2447 4.2447 4.9066 4.9066 5.2983 5.2983 6.1939 6.1939 7.3958 7.3958 9.7270 9.7270 9.8660 9.8660 k = 0.4365 0.3986 0.4909 ( 3552 PWs) bands (ev): -25.0713 -25.0713 -25.0649 -25.0649 -9.0521 -9.0521 -8.8436 -8.8436 -8.6951 -8.6951 -8.5702 -8.5702 -8.4904 -8.4904 -8.4435 -8.4435 -8.0292 -8.0292 -3.0319 -3.0319 0.9422 0.9422 1.1731 1.1731 2.5126 2.5126 3.1541 3.1541 3.4454 3.4454 4.2431 4.2431 4.9055 4.9055 5.2965 5.2965 6.2159 6.2159 7.3569 7.3569 9.7416 9.7416 9.8569 9.8569 k = 0.4286 0.4124 0.4909 ( 3544 PWs) bands (ev): -25.0711 -25.0711 -25.0650 -25.0650 -9.0514 -9.0514 -8.8435 -8.8435 -8.7019 -8.7019 -8.5669 -8.5669 -8.4920 -8.4920 -8.4410 -8.4410 -8.0278 -8.0278 -3.0311 -3.0311 0.9459 0.9459 1.1689 1.1689 2.5138 2.5138 3.1562 3.1562 3.4485 3.4485 4.2415 4.2415 4.9043 4.9043 5.2947 5.2947 6.2402 6.2402 7.3148 7.3148 9.7569 9.7569 9.8478 9.8478 k = 0.4206 0.4261 0.4909 ( 3552 PWs) bands (ev): -25.0709 -25.0709 -25.0652 -25.0652 -9.0507 -9.0507 -8.8433 -8.8433 -8.7085 -8.7085 -8.5641 -8.5641 -8.4934 -8.4934 -8.4386 -8.4386 -8.0262 -8.0262 -3.0302 -3.0302 0.9499 0.9499 1.1644 1.1644 2.5150 2.5150 3.1583 3.1583 3.4520 3.4520 4.2397 4.2397 4.9031 4.9031 5.2927 5.2927 6.2666 6.2666 7.2700 7.2700 9.7724 9.7724 9.8391 9.8391 k = 0.4127 0.4399 0.4909 ( 3552 PWs) bands (ev): -25.0707 -25.0707 -25.0654 -25.0654 -9.0501 -9.0501 -8.8432 -8.8432 -8.7148 -8.7148 -8.5617 -8.5617 -8.4946 -8.4946 -8.4364 -8.4364 -8.0246 -8.0246 -3.0293 -3.0293 0.9541 0.9541 1.1598 1.1598 2.5163 2.5163 3.1604 3.1604 3.4558 3.4558 4.2380 4.2380 4.9020 4.9020 5.2908 5.2908 6.2948 6.2948 7.2233 7.2233 9.7873 9.7873 9.8312 9.8312 k = 0.4048 0.4536 0.4909 ( 3554 PWs) bands (ev): -25.0705 -25.0705 -25.0656 -25.0656 -9.0495 -9.0495 -8.8432 -8.8432 -8.7207 -8.7207 -8.5597 -8.5597 -8.4955 -8.4955 -8.4343 -8.4343 -8.0230 -8.0230 -3.0284 -3.0284 0.9583 0.9583 1.1551 1.1551 2.5176 2.5176 3.1624 3.1624 3.4597 3.4597 4.2363 4.2363 4.9009 4.9009 5.2889 5.2889 6.3247 6.3247 7.1752 7.1752 9.8008 9.8008 9.8248 9.8248 k = 0.3968 0.4674 0.4909 ( 3554 PWs) bands (ev): -25.0703 -25.0703 -25.0658 -25.0658 -9.0489 -9.0489 -8.8431 -8.8431 -8.7261 -8.7261 -8.5582 -8.5582 -8.4962 -8.4962 -8.4324 -8.4324 -8.0214 -8.0214 -3.0275 -3.0275 0.9625 0.9625 1.1505 1.1505 2.5188 2.5188 3.1642 3.1642 3.4638 3.4638 4.2346 4.2346 4.8999 4.8999 5.2871 5.2871 6.3559 6.3559 7.1264 7.1264 9.8093 9.8093 9.8230 9.8230 k = 0.3889 0.4811 0.4909 ( 3552 PWs) bands (ev): -25.0700 -25.0700 -25.0660 -25.0660 -9.0484 -9.0484 -8.8430 -8.8430 -8.7309 -8.7309 -8.5571 -8.5571 -8.4967 -8.4967 -8.4307 -8.4307 -8.0198 -8.0198 -3.0267 -3.0267 0.9665 0.9665 1.1461 1.1461 2.5200 2.5200 3.1659 3.1659 3.4679 3.4679 4.2330 4.2330 4.8991 4.8991 5.2854 5.2854 6.3879 6.3879 7.0777 7.0777 9.8087 9.8087 9.8296 9.8296 k = 0.3810 0.4949 0.4909 ( 3536 PWs) bands (ev): -25.0698 -25.0698 -25.0662 -25.0662 -9.0480 -9.0480 -8.8430 -8.8430 -8.7352 -8.7352 -8.5562 -8.5562 -8.4971 -8.4971 -8.4292 -8.4292 -8.0184 -8.0184 -3.0258 -3.0258 0.9703 0.9703 1.1420 1.1420 2.5212 2.5212 3.1674 3.1674 3.4719 3.4719 4.2316 4.2316 4.8983 4.8983 5.2839 5.2839 6.4205 6.4205 7.0300 7.0300 9.8061 9.8061 9.8372 9.8372 k = 0.3730 0.5086 0.4909 ( 3534 PWs) bands (ev): -25.0695 -25.0695 -25.0665 -25.0665 -9.0477 -9.0477 -8.8430 -8.8430 -8.7388 -8.7388 -8.5556 -8.5556 -8.4973 -8.4973 -8.4280 -8.4280 -8.0170 -8.0170 -3.0251 -3.0251 0.9737 0.9737 1.1383 1.1383 2.5222 2.5222 3.1687 3.1687 3.4757 3.4757 4.2303 4.2303 4.8977 4.8977 5.2826 5.2826 6.4527 6.4527 6.9841 6.9841 9.8044 9.8044 9.8426 9.8426 k = 0.3651 0.5224 0.4909 ( 3540 PWs) bands (ev): -25.0692 -25.0692 -25.0668 -25.0668 -9.0474 -9.0474 -8.8430 -8.8430 -8.7418 -8.7418 -8.5553 -8.5553 -8.4974 -8.4974 -8.4270 -8.4270 -8.0158 -8.0158 -3.0245 -3.0245 0.9767 0.9767 1.1350 1.1350 2.5230 2.5230 3.1697 3.1697 3.4791 3.4791 4.2292 4.2292 4.8972 4.8972 5.2814 5.2814 6.4838 6.4838 6.9413 6.9413 9.8044 9.8044 9.8453 9.8453 k = 0.3571 0.5361 0.4909 ( 3540 PWs) bands (ev): -25.0689 -25.0689 -25.0670 -25.0670 -9.0473 -9.0473 -8.8430 -8.8430 -8.7442 -8.7442 -8.5551 -8.5551 -8.4975 -8.4975 -8.4262 -8.4262 -8.0148 -8.0148 -3.0240 -3.0240 0.9790 0.9790 1.1324 1.1324 2.5238 2.5238 3.1705 3.1705 3.4821 3.4821 4.2284 4.2284 4.8969 4.8969 5.2805 5.2805 6.5122 6.5122 6.9034 6.9034 9.8061 9.8061 9.8452 9.8452 k = 0.3492 0.5499 0.4909 ( 3548 PWs) bands (ev): -25.0686 -25.0686 -25.0673 -25.0673 -9.0472 -9.0472 -8.8430 -8.8430 -8.7458 -8.7458 -8.5550 -8.5550 -8.4975 -8.4975 -8.4257 -8.4257 -8.0141 -8.0141 -3.0236 -3.0236 0.9807 0.9807 1.1305 1.1305 2.5243 2.5243 3.1711 3.1711 3.4844 3.4844 4.2278 4.2278 4.8966 4.8966 5.2798 5.2798 6.5358 6.5358 6.8728 6.8728 9.8097 9.8097 9.8423 9.8423 k = 0.3413 0.5636 0.4909 ( 3548 PWs) bands (ev): -25.0683 -25.0683 -25.0677 -25.0677 -9.0472 -9.0472 -8.8430 -8.8430 -8.7468 -8.7468 -8.5549 -8.5549 -8.4975 -8.4975 -8.4254 -8.4254 -8.0136 -8.0136 -3.0233 -3.0233 0.9818 0.9818 1.1294 1.1294 2.5247 2.5247 3.1714 3.1714 3.4859 3.4859 4.2274 4.2274 4.8965 4.8965 5.2793 5.2793 6.5517 6.5517 6.8525 6.8525 9.8148 9.8148 9.8374 9.8374 k = 0.3333 0.5774 0.4909 ( 3564 PWs) bands (ev): -25.0681 -25.0681 -25.0680 -25.0680 -9.0472 -9.0472 -8.8431 -8.8431 -8.7472 -8.7472 -8.5549 -8.5549 -8.4975 -8.4975 -8.4253 -8.4253 -8.0135 -8.0135 -3.0233 -3.0233 0.9821 0.9821 1.1290 1.1290 2.5247 2.5247 3.1715 3.1715 3.4864 3.4864 4.2273 4.2273 4.8965 4.8965 5.2792 5.2792 6.5573 6.5573 6.8454 6.8454 9.8186 9.8186 9.8336 9.8336 k = 0.3333 0.5774 0.4909 ( 3564 PWs) bands (ev): -25.0681 -25.0681 -25.0680 -25.0680 -9.0472 -9.0472 -8.8431 -8.8431 -8.7472 -8.7472 -8.5549 -8.5549 -8.4975 -8.4975 -8.4253 -8.4253 -8.0135 -8.0135 -3.0233 -3.0233 0.9821 0.9821 1.1290 1.1290 2.5247 2.5247 3.1715 3.1715 3.4864 3.4864 4.2273 4.2273 4.8965 4.8965 5.2792 5.2792 6.5573 6.5573 6.8454 6.8454 9.8186 9.8186 9.8336 9.8336 k = 0.3252 0.5633 0.4909 ( 3556 PWs) bands (ev): -25.0684 -25.0684 -25.0677 -25.0677 -9.0472 -9.0472 -8.8430 -8.8430 -8.7468 -8.7468 -8.5549 -8.5549 -8.4975 -8.4975 -8.4254 -8.4254 -8.0137 -8.0137 -3.0234 -3.0234 0.9818 0.9818 1.1294 1.1294 2.5247 2.5247 3.1714 3.1714 3.4858 3.4858 4.2274 4.2274 4.8965 4.8965 5.2793 5.2793 6.5519 6.5519 6.8525 6.8525 9.8128 9.8128 9.8395 9.8395 k = 0.3171 0.5492 0.4909 ( 3556 PWs) bands (ev): -25.0687 -25.0687 -25.0673 -25.0673 -9.0471 -9.0471 -8.8430 -8.8430 -8.7458 -8.7458 -8.5549 -8.5549 -8.4975 -8.4975 -8.4257 -8.4257 -8.0142 -8.0142 -3.0236 -3.0236 0.9808 0.9808 1.1304 1.1304 2.5242 2.5242 3.1711 3.1711 3.4839 3.4839 4.2277 4.2277 4.8966 4.8966 5.2798 5.2798 6.5379 6.5379 6.8714 6.8714 9.8009 9.8009 9.8520 9.8520 k = 0.3089 0.5351 0.4909 ( 3552 PWs) bands (ev): -25.0690 -25.0690 -25.0670 -25.0670 -9.0470 -9.0470 -8.8429 -8.8429 -8.7442 -8.7442 -8.5549 -8.5549 -8.4975 -8.4975 -8.4262 -8.4262 -8.0152 -8.0152 -3.0241 -3.0241 0.9794 0.9794 1.1321 1.1321 2.5235 2.5235 3.1706 3.1706 3.4806 3.4806 4.2282 4.2282 4.8967 4.8967 5.2806 5.2806 6.5192 6.5192 6.8985 6.8985 9.7865 9.7865 9.8678 9.8678 k = 0.3008 0.5210 0.4909 ( 3548 PWs) bands (ev): -25.0694 -25.0694 -25.0666 -25.0666 -9.0468 -9.0468 -8.8428 -8.8428 -8.7420 -8.7420 -8.5549 -8.5549 -8.4976 -8.4976 -8.4269 -8.4269 -8.0167 -8.0167 -3.0249 -3.0249 0.9776 0.9776 1.1342 1.1342 2.5225 2.5225 3.1699 3.1699 3.4758 3.4758 4.2289 4.2289 4.8968 4.8968 5.2816 5.2816 6.4992 6.4992 6.9304 6.9304 9.7700 9.7700 9.8865 9.8865 k = 0.2927 0.5069 0.4909 ( 3552 PWs) bands (ev): -25.0698 -25.0698 -25.0663 -25.0663 -9.0464 -9.0464 -8.8426 -8.8426 -8.7393 -8.7393 -8.5549 -8.5549 -8.4976 -8.4976 -8.4277 -8.4277 -8.0186 -8.0186 -3.0258 -3.0258 0.9755 0.9755 1.1366 1.1366 2.5211 2.5211 3.1691 3.1691 3.4694 3.4694 4.2296 4.2296 4.8968 4.8968 5.2829 5.2829 6.4801 6.4801 6.9649 6.9649 9.7519 9.7519 9.9079 9.9079 k = 0.2846 0.4929 0.4909 ( 3552 PWs) bands (ev): -25.0702 -25.0702 -25.0659 -25.0659 -9.0458 -9.0458 -8.8424 -8.8424 -8.7361 -8.7361 -8.5549 -8.5549 -8.4976 -8.4976 -8.4287 -8.4287 -8.0210 -8.0210 -3.0270 -3.0270 0.9733 0.9733 1.1393 1.1393 2.5194 2.5194 3.1682 3.1682 3.4615 3.4615 4.2302 4.2302 4.8969 4.8969 5.2845 5.2845 6.4633 6.4633 7.0008 7.0008 9.7322 9.7322 9.9320 9.9320 k = 0.2764 0.4788 0.4909 ( 3550 PWs) bands (ev): -25.0705 -25.0705 -25.0656 -25.0656 -9.0449 -9.0449 -8.8421 -8.8421 -8.7325 -8.7325 -8.5549 -8.5549 -8.4976 -8.4976 -8.4299 -8.4299 -8.0239 -8.0239 -3.0284 -3.0284 0.9711 0.9711 1.1420 1.1420 2.5174 2.5174 3.1671 3.1671 3.4519 3.4519 4.2309 4.2309 4.8969 4.8969 5.2862 5.2862 6.4495 6.4495 7.0370 7.0370 9.7108 9.7108 9.9587 9.9587 k = 0.2683 0.4647 0.4909 ( 3546 PWs) bands (ev): -25.0709 -25.0709 -25.0652 -25.0652 -9.0438 -9.0438 -8.8417 -8.8417 -8.7285 -8.7285 -8.5549 -8.5549 -8.4976 -8.4976 -8.4311 -8.4311 -8.0274 -8.0274 -3.0301 -3.0301 0.9690 0.9690 1.1447 1.1447 2.5149 2.5149 3.1659 3.1659 3.4408 3.4408 4.2314 4.2314 4.8968 4.8968 5.2882 5.2882 6.4395 6.4395 7.0729 7.0729 9.6878 9.6878 9.9879 9.9879 k = 0.2602 0.4506 0.4909 ( 3550 PWs) bands (ev): -25.0713 -25.0713 -25.0649 -25.0649 -9.0424 -9.0424 -8.8411 -8.8411 -8.7241 -8.7241 -8.5550 -8.5550 -8.4976 -8.4976 -8.4325 -8.4325 -8.0314 -8.0314 -3.0320 -3.0320 0.9670 0.9670 1.1474 1.1474 2.5121 2.5121 3.1647 3.1647 3.4281 3.4281 4.2317 4.2317 4.8966 4.8966 5.2902 5.2902 6.4335 6.4335 7.1080 7.1080 9.6629 9.6629 10.0194 10.0194 k = 0.2520 0.4365 0.4909 ( 3542 PWs) bands (ev): -25.0717 -25.0717 -25.0645 -25.0645 -9.0406 -9.0406 -8.8405 -8.8405 -8.7195 -8.7195 -8.5550 -8.5550 -8.4975 -8.4975 -8.4339 -8.4339 -8.0359 -8.0359 -3.0341 -3.0341 0.9653 0.9653 1.1499 1.1499 2.5090 2.5090 3.1633 3.1633 3.4140 3.4140 4.2318 4.2318 4.8964 4.8964 5.2923 5.2923 6.4317 6.4317 7.1420 7.1420 9.6360 9.6360 10.0530 10.0530 k = 0.2439 0.4225 0.4909 ( 3554 PWs) bands (ev): -25.0721 -25.0721 -25.0642 -25.0642 -9.0385 -9.0385 -8.8397 -8.8397 -8.7147 -8.7147 -8.5552 -8.5552 -8.4973 -8.4973 -8.4355 -8.4355 -8.0410 -8.0410 -3.0364 -3.0364 0.9639 0.9639 1.1522 1.1522 2.5054 2.5054 3.1619 3.1619 3.3985 3.3985 4.2316 4.2316 4.8962 4.8962 5.2945 5.2945 6.4342 6.4342 7.1744 7.1744 9.6071 9.6071 10.0885 10.0885 k = 0.2358 0.4084 0.4909 ( 3548 PWs) bands (ev): -25.0725 -25.0725 -25.0639 -25.0639 -9.0360 -9.0360 -8.8387 -8.8387 -8.7097 -8.7097 -8.5553 -8.5553 -8.4971 -8.4971 -8.4371 -8.4371 -8.0467 -8.0467 -3.0390 -3.0390 0.9629 0.9629 1.1542 1.1542 2.5015 2.5015 3.1603 3.1603 3.3818 3.3818 4.2311 4.2311 4.8960 4.8960 5.2967 5.2967 6.4411 6.4411 7.2052 7.2052 9.5759 9.5759 10.1255 10.1255 k = 0.2276 0.3943 0.4909 ( 3540 PWs) bands (ev): -25.0729 -25.0729 -25.0635 -25.0635 -9.0331 -9.0331 -8.8376 -8.8376 -8.7045 -8.7045 -8.5555 -8.5555 -8.4968 -8.4968 -8.4387 -8.4387 -8.0528 -8.0528 -3.0418 -3.0418 0.9622 0.9622 1.1561 1.1561 2.4972 2.4972 3.1587 3.1587 3.3640 3.3640 4.2303 4.2303 4.8957 4.8957 5.2989 5.2989 6.4520 6.4520 7.2340 7.2340 9.5423 9.5423 10.1635 10.1635 k = 0.2195 0.3802 0.4909 ( 3554 PWs) bands (ev): -25.0734 -25.0734 -25.0632 -25.0632 -9.0297 -9.0297 -8.8364 -8.8364 -8.6993 -8.6993 -8.5558 -8.5558 -8.4965 -8.4965 -8.4404 -8.4404 -8.0595 -8.0595 -3.0448 -3.0448 0.9619 0.9619 1.1576 1.1576 2.4925 2.4925 3.1570 3.1570 3.3453 3.3453 4.2292 4.2292 4.8955 4.8955 5.3010 5.3010 6.4671 6.4671 7.2607 7.2607 9.5064 9.5064 10.2016 10.2016 k = 0.2114 0.3661 0.4909 ( 3554 PWs) bands (ev): -25.0738 -25.0738 -25.0629 -25.0629 -9.0260 -9.0260 -8.8350 -8.8350 -8.6941 -8.6941 -8.5561 -8.5561 -8.4961 -8.4961 -8.4421 -8.4421 -8.0667 -8.0667 -3.0479 -3.0479 0.9621 0.9621 1.1588 1.1588 2.4875 2.4875 3.1551 3.1551 3.3259 3.3259 4.2278 4.2278 4.8954 4.8954 5.3031 5.3031 6.4859 6.4859 7.2852 7.2852 9.4681 9.4681 10.2389 10.2389 k = 0.2033 0.3520 0.4909 ( 3554 PWs) bands (ev): -25.0742 -25.0742 -25.0626 -25.0626 -9.0219 -9.0219 -8.8334 -8.8334 -8.6890 -8.6890 -8.5563 -8.5563 -8.4957 -8.4957 -8.4439 -8.4439 -8.0743 -8.0743 -3.0513 -3.0513 0.9626 0.9626 1.1597 1.1597 2.4822 2.4822 3.1531 3.1531 3.3059 3.3059 4.2261 4.2261 4.8953 4.8953 5.3051 5.3051 6.5083 6.5083 7.3074 7.3074 9.4277 9.4277 10.2740 10.2740 k = 0.1951 0.3380 0.4909 ( 3566 PWs) bands (ev): -25.0746 -25.0746 -25.0623 -25.0623 -9.0173 -9.0173 -8.8317 -8.8317 -8.6839 -8.6839 -8.5566 -8.5566 -8.4952 -8.4952 -8.4457 -8.4457 -8.0825 -8.0825 -3.0548 -3.0548 0.9635 0.9635 1.1604 1.1604 2.4765 2.4765 3.1508 3.1508 3.2856 3.2856 4.2242 4.2242 4.8953 4.8953 5.3071 5.3071 6.5339 6.5339 7.3273 7.3273 9.3852 9.3852 10.3051 10.3051 k = 0.1870 0.3239 0.4909 ( 3562 PWs) bands (ev): -25.0750 -25.0750 -25.0620 -25.0620 -9.0123 -9.0123 -8.8297 -8.8297 -8.6789 -8.6789 -8.5569 -8.5569 -8.4946 -8.4946 -8.4475 -8.4475 -8.0911 -8.0911 -3.0584 -3.0584 0.9648 0.9648 1.1609 1.1609 2.4706 2.4706 3.1481 3.1481 3.2654 3.2654 4.2220 4.2220 4.8955 4.8955 5.3090 5.3090 6.5625 6.5625 7.3450 7.3450 9.3409 9.3409 10.3305 10.3305 k = 0.1789 0.3098 0.4909 ( 3562 PWs) bands (ev): -25.0754 -25.0754 -25.0617 -25.0617 -9.0070 -9.0070 -8.8277 -8.8277 -8.6741 -8.6741 -8.5570 -8.5570 -8.4940 -8.4940 -8.4493 -8.4493 -8.1001 -8.1001 -3.0621 -3.0621 0.9665 0.9665 1.1611 1.1611 2.4644 2.4644 3.1449 3.1449 3.2455 3.2455 4.2197 4.2197 4.8958 4.8958 5.3109 5.3109 6.5936 6.5936 7.3603 7.3603 9.2952 9.2952 10.3496 10.3496 k = 0.1707 0.2957 0.4909 ( 3558 PWs) bands (ev): -25.0757 -25.0757 -25.0615 -25.0615 -9.0013 -9.0013 -8.8254 -8.8254 -8.6696 -8.6696 -8.5571 -8.5571 -8.4933 -8.4933 -8.4512 -8.4512 -8.1094 -8.1094 -3.0659 -3.0659 0.9685 0.9685 1.1611 1.1611 2.4580 2.4580 3.1407 3.1407 3.2265 3.2265 4.2172 4.2172 4.8962 4.8962 5.3128 5.3128 6.6270 6.6270 7.3736 7.3736 9.2484 9.2484 10.3629 10.3629 k = 0.1626 0.2816 0.4909 ( 3554 PWs) bands (ev): -25.0761 -25.0761 -25.0612 -25.0612 -8.9953 -8.9953 -8.8230 -8.8230 -8.6653 -8.6653 -8.5571 -8.5571 -8.4926 -8.4926 -8.4530 -8.4530 -8.1191 -8.1191 -3.0698 -3.0698 0.9707 0.9707 1.1610 1.1610 2.4514 2.4514 3.1351 3.1351 3.2090 3.2090 4.2145 4.2145 4.8968 4.8968 5.3146 5.3146 6.6623 6.6623 7.3848 7.3848 9.2008 9.2008 10.3716 10.3716 k = 0.1545 0.2676 0.4909 ( 3554 PWs) bands (ev): -25.0765 -25.0765 -25.0609 -25.0609 -8.9889 -8.9889 -8.8204 -8.8204 -8.6613 -8.6613 -8.5569 -8.5569 -8.4919 -8.4919 -8.4548 -8.4548 -8.1291 -8.1291 -3.0737 -3.0737 0.9732 0.9732 1.1607 1.1607 2.4445 2.4445 3.1273 3.1273 3.1941 3.1941 4.2118 4.2118 4.8975 4.8975 5.3164 5.3164 6.6990 6.6990 7.3942 7.3942 9.1529 9.1529 10.3769 10.3769 k = 0.1463 0.2535 0.4909 ( 3550 PWs) bands (ev): -25.0768 -25.0768 -25.0607 -25.0607 -8.9823 -8.9823 -8.8177 -8.8177 -8.6577 -8.6577 -8.5566 -8.5566 -8.4912 -8.4912 -8.4567 -8.4567 -8.1393 -8.1393 -3.0777 -3.0777 0.9759 0.9759 1.1604 1.1604 2.4376 2.4376 3.1166 3.1166 3.1823 3.1823 4.2091 4.2091 4.8984 4.8984 5.3181 5.3181 6.7368 6.7368 7.4020 7.4020 9.1050 9.1050 10.3797 10.3797 k = 0.1382 0.2394 0.4909 ( 3546 PWs) bands (ev): -25.0771 -25.0771 -25.0604 -25.0604 -8.9756 -8.9756 -8.8149 -8.8149 -8.6544 -8.6544 -8.5560 -8.5560 -8.4905 -8.4905 -8.4585 -8.4585 -8.1496 -8.1496 -3.0816 -3.0816 0.9787 0.9787 1.1601 1.1601 2.4306 2.4306 3.1032 3.1032 3.1738 3.1738 4.2064 4.2064 4.8993 4.8993 5.3198 5.3198 6.7752 6.7752 7.4083 7.4083 9.0575 9.0575 10.3806 10.3806 k = 0.1301 0.2253 0.4909 ( 3546 PWs) bands (ev): -25.0774 -25.0774 -25.0602 -25.0602 -8.9686 -8.9686 -8.8119 -8.8119 -8.6516 -8.6516 -8.5552 -8.5552 -8.4898 -8.4898 -8.4603 -8.4603 -8.1601 -8.1601 -3.0855 -3.0855 0.9815 0.9815 1.1598 1.1598 2.4236 2.4236 3.0879 3.0879 3.1679 3.1679 4.2037 4.2037 4.9004 4.9004 5.3216 5.3216 6.8138 6.8138 7.4135 7.4135 9.0108 9.0108 10.3798 10.3798 k = 0.1220 0.2112 0.4909 ( 3550 PWs) bands (ev): -25.0777 -25.0777 -25.0600 -25.0600 -8.9616 -8.9616 -8.8088 -8.8088 -8.6492 -8.6492 -8.5541 -8.5541 -8.4892 -8.4892 -8.4620 -8.4620 -8.1707 -8.1707 -3.0893 -3.0893 0.9843 0.9843 1.1595 1.1595 2.4165 2.4165 3.0716 3.0716 3.1638 3.1638 4.2010 4.2010 4.9015 4.9015 5.3232 5.3232 6.8522 6.8522 7.4178 7.4178 8.9653 8.9653 10.3776 10.3776 k = 0.1138 0.1971 0.4909 ( 3562 PWs) bands (ev): -25.0781 -25.0781 -25.0599 -25.0599 -8.9546 -8.9546 -8.8056 -8.8056 -8.6473 -8.6473 -8.5528 -8.5528 -8.4887 -8.4887 -8.4637 -8.4637 -8.1813 -8.1813 -3.0930 -3.0930 0.9871 0.9871 1.1593 1.1593 2.4095 2.4095 3.0551 3.0551 3.1607 3.1607 4.1984 4.1984 4.9028 4.9028 5.3249 5.3249 6.8898 6.8898 7.4216 7.4216 8.9212 8.9212 10.3741 10.3741 k = 0.1057 0.1831 0.4909 ( 3554 PWs) bands (ev): -25.0783 -25.0783 -25.0597 -25.0597 -8.9476 -8.9476 -8.8023 -8.8023 -8.6458 -8.6458 -8.5512 -8.5512 -8.4884 -8.4884 -8.4651 -8.4651 -8.1917 -8.1917 -3.0966 -3.0966 0.9898 0.9898 1.1593 1.1593 2.4027 2.4027 3.0388 3.0388 3.1584 3.1584 4.1960 4.1960 4.9041 4.9041 5.3265 5.3265 6.9263 6.9263 7.4251 7.4251 8.8789 8.8789 10.3693 10.3693 k = 0.0976 0.1690 0.4909 ( 3554 PWs) bands (ev): -25.0786 -25.0786 -25.0595 -25.0595 -8.9407 -8.9407 -8.7990 -8.7990 -8.6447 -8.6447 -8.5494 -8.5494 -8.4883 -8.4883 -8.4663 -8.4663 -8.2020 -8.2020 -3.1001 -3.1001 0.9923 0.9923 1.1594 1.1594 2.3961 2.3961 3.0231 3.0231 3.1565 3.1565 4.1936 4.1936 4.9054 4.9054 5.3280 5.3280 6.9610 6.9610 7.4287 7.4287 8.8386 8.8386 10.3634 10.3634 k = 0.0894 0.1549 0.4909 ( 3554 PWs) bands (ev): -25.0788 -25.0788 -25.0594 -25.0594 -8.9340 -8.9340 -8.7956 -8.7956 -8.6440 -8.6440 -8.5473 -8.5473 -8.4886 -8.4886 -8.4673 -8.4673 -8.2120 -8.2120 -3.1034 -3.1034 0.9947 0.9947 1.1596 1.1596 2.3897 2.3897 3.0082 3.0082 3.1550 3.1550 4.1914 4.1914 4.9067 4.9067 5.3295 5.3295 6.9935 6.9935 7.4328 7.4328 8.8007 8.8007 10.3564 10.3564 k = 0.0813 0.1408 0.4909 ( 3562 PWs) bands (ev): -25.0791 -25.0791 -25.0592 -25.0592 -8.9276 -8.9276 -8.7922 -8.7922 -8.6437 -8.6437 -8.5450 -8.5450 -8.4894 -8.4894 -8.4679 -8.4679 -8.2216 -8.2216 -3.1065 -3.1065 0.9968 0.9968 1.1600 1.1600 2.3835 2.3835 2.9943 2.9943 3.1538 3.1538 4.1894 4.1894 4.9080 4.9080 5.3309 5.3309 7.0234 7.0234 7.4374 7.4374 8.7653 8.7653 10.3484 10.3484 k = 0.0732 0.1267 0.4909 ( 3566 PWs) bands (ev): -25.0793 -25.0793 -25.0591 -25.0591 -8.9215 -8.9215 -8.7887 -8.7887 -8.6437 -8.6437 -8.5425 -8.5425 -8.4905 -8.4905 -8.4682 -8.4682 -8.2308 -8.2308 -3.1094 -3.1094 0.9986 0.9986 1.1606 1.1606 2.3777 2.3777 2.9814 2.9814 3.1527 3.1527 4.1875 4.1875 4.9092 4.9092 5.3323 5.3323 7.0502 7.0502 7.4429 7.4429 8.7327 8.7327 10.3397 10.3397 k = 0.0650 0.1127 0.4909 ( 3564 PWs) bands (ev): -25.0795 -25.0795 -25.0590 -25.0590 -8.9159 -8.9159 -8.7854 -8.7854 -8.6440 -8.6440 -8.5399 -8.5399 -8.4919 -8.4919 -8.4682 -8.4682 -8.2395 -8.2395 -3.1120 -3.1120 1.0003 1.0003 1.1612 1.1612 2.3724 2.3724 2.9696 2.9696 3.1518 3.1518 4.1858 4.1858 4.9105 4.9105 5.3335 5.3335 7.0737 7.0737 7.4492 7.4492 8.7031 8.7031 10.3305 10.3305 k = 0.0569 0.0986 0.4909 ( 3564 PWs) bands (ev): -25.0796 -25.0796 -25.0589 -25.0589 -8.9107 -8.9107 -8.7821 -8.7821 -8.6445 -8.6445 -8.5371 -8.5371 -8.4938 -8.4938 -8.4679 -8.4679 -8.2474 -8.2474 -3.1144 -3.1144 1.0017 1.0017 1.1620 1.1620 2.3676 2.3676 2.9591 2.9591 3.1511 3.1511 4.1843 4.1843 4.9116 4.9116 5.3347 5.3347 7.0938 7.0938 7.4564 7.4564 8.6765 8.6765 10.3210 10.3210 k = 0.0488 0.0845 0.4909 ( 3572 PWs) bands (ev): -25.0798 -25.0798 -25.0588 -25.0588 -8.9062 -8.9062 -8.7790 -8.7790 -8.6451 -8.6451 -8.5343 -8.5343 -8.4958 -8.4958 -8.4675 -8.4675 -8.2546 -8.2546 -3.1165 -3.1165 1.0028 1.0028 1.1627 1.1627 2.3632 2.3632 2.9499 2.9499 3.1505 3.1505 4.1830 4.1830 4.9126 4.9126 5.3357 5.3357 7.1103 7.1103 7.4640 7.4640 8.6532 8.6532 10.3117 10.3117 k = 0.0407 0.0704 0.4909 ( 3572 PWs) bands (ev): -25.0799 -25.0799 -25.0588 -25.0588 -8.9022 -8.9022 -8.7762 -8.7762 -8.6458 -8.6458 -8.5314 -8.5314 -8.4981 -8.4981 -8.4670 -8.4670 -8.2609 -8.2609 -3.1183 -3.1183 1.0037 1.0037 1.1635 1.1635 2.3595 2.3595 2.9420 2.9420 3.1499 3.1499 4.1818 4.1818 4.9135 4.9135 5.3365 5.3365 7.1236 7.1236 7.4717 7.4717 8.6333 8.6333 10.3030 10.3030 k = 0.0325 0.0563 0.4909 ( 3568 PWs) bands (ev): -25.0800 -25.0800 -25.0587 -25.0587 -8.8989 -8.8989 -8.7737 -8.7737 -8.6465 -8.6465 -8.5286 -8.5286 -8.5004 -8.5004 -8.4665 -8.4665 -8.2663 -8.2663 -3.1198 -3.1198 1.0044 1.0044 1.1642 1.1642 2.3564 2.3564 2.9356 2.9356 3.1495 3.1495 4.1809 4.1809 4.9142 4.9142 5.3373 5.3373 7.1338 7.1338 7.4790 7.4790 8.6169 8.6169 10.2951 10.2951 k = 0.0244 0.0422 0.4909 ( 3560 PWs) bands (ev): -25.0801 -25.0801 -25.0586 -25.0586 -8.8963 -8.8963 -8.7717 -8.7717 -8.6472 -8.6472 -8.5259 -8.5259 -8.5027 -8.5027 -8.4661 -8.4661 -8.2705 -8.2705 -3.1210 -3.1210 1.0049 1.0049 1.1648 1.1648 2.3539 2.3539 2.9305 2.9305 3.1492 3.1492 4.1802 4.1802 4.9148 4.9148 5.3379 5.3379 7.1414 7.1414 7.4853 7.4853 8.6041 8.6041 10.2886 10.2886 k = 0.0163 0.0282 0.4909 ( 3556 PWs) bands (ev): -25.0801 -25.0801 -25.0586 -25.0586 -8.8944 -8.8944 -8.7701 -8.7701 -8.6477 -8.6477 -8.5235 -8.5235 -8.5048 -8.5048 -8.4658 -8.4658 -8.2736 -8.2736 -3.1218 -3.1218 1.0053 1.0053 1.1652 1.1652 2.3521 2.3521 2.9268 2.9268 3.1490 3.1490 4.1797 4.1797 4.9153 4.9153 5.3383 5.3383 7.1465 7.1465 7.4903 7.4903 8.5948 8.5948 10.2836 10.2836 k = 0.0081 0.0141 0.4909 ( 3552 PWs) bands (ev): -25.0801 -25.0801 -25.0586 -25.0586 -8.8932 -8.8932 -8.7692 -8.7692 -8.6480 -8.6480 -8.5217 -8.5217 -8.5064 -8.5064 -8.4655 -8.4655 -8.2755 -8.2755 -3.1223 -3.1223 1.0055 1.0055 1.1655 1.1655 2.3511 2.3511 2.9247 2.9247 3.1489 3.1489 4.1794 4.1794 4.9156 4.9156 5.3385 5.3385 7.1495 7.1495 7.4934 7.4934 8.5893 8.5893 10.2806 10.2806 k = 0.0000 0.0000 0.4909 ( 3548 PWs) bands (ev): -25.0802 -25.0802 -25.0585 -25.0585 -8.8929 -8.8929 -8.7688 -8.7688 -8.6481 -8.6481 -8.5210 -8.5210 -8.5070 -8.5070 -8.4655 -8.4655 -8.2761 -8.2761 -3.1225 -3.1225 1.0056 1.0056 1.1657 1.1657 2.3507 2.3507 2.9239 2.9239 3.1488 3.1488 4.1793 4.1793 4.9157 4.9157 5.3386 5.3386 7.1505 7.1505 7.4945 7.4945 8.5874 8.5874 10.2795 10.2795 k = 0.5000 0.2887 0.4909 ( 3572 PWs) bands (ev): -25.0720 -25.0720 -25.0644 -25.0644 -9.0552 -9.0552 -8.8442 -8.8442 -8.6524 -8.6524 -8.5980 -8.5980 -8.4762 -8.4762 -8.4611 -8.4611 -8.0355 -8.0355 -3.0355 -3.0355 0.9262 0.9262 1.1910 1.1910 2.5074 2.5074 3.1442 3.1442 3.4332 3.4332 4.2504 4.2504 4.9112 4.9112 5.3053 5.3053 6.1185 6.1185 7.5352 7.5352 9.6723 9.6723 9.9049 9.9049 k = 0.5000 0.2887 0.4751 ( 3564 PWs) bands (ev): -25.0720 -25.0720 -25.0644 -25.0644 -9.0554 -9.0554 -8.8441 -8.8441 -8.6525 -8.6525 -8.5979 -8.5979 -8.4765 -8.4765 -8.4607 -8.4607 -8.0357 -8.0357 -3.0327 -3.0327 0.9275 0.9275 1.1923 1.1923 2.5018 2.5018 3.1440 3.1440 3.4337 3.4337 4.2503 4.2503 4.9028 4.9028 5.2951 5.2951 6.1297 6.1297 7.5421 7.5421 9.6667 9.6667 9.9003 9.9003 k = 0.5000 0.2887 0.4592 ( 3562 PWs) bands (ev): -25.0720 -25.0720 -25.0643 -25.0643 -9.0561 -9.0561 -8.8438 -8.8438 -8.6530 -8.6530 -8.5976 -8.5976 -8.4776 -8.4776 -8.4597 -8.4597 -8.0364 -8.0364 -3.0243 -3.0243 0.9313 0.9313 1.1963 1.1963 2.4850 2.4850 3.1435 3.1435 3.4350 3.4350 4.2500 4.2500 4.8782 4.8782 5.2660 5.2660 6.1617 6.1617 7.5625 7.5625 9.6496 9.6496 9.8882 9.8882 k = 0.5000 0.2887 0.4434 ( 3560 PWs) bands (ev): -25.0721 -25.0721 -25.0643 -25.0643 -9.0573 -9.0573 -8.8434 -8.8434 -8.6537 -8.6537 -8.5971 -8.5971 -8.4791 -8.4791 -8.4583 -8.4583 -8.0375 -8.0375 -3.0103 -3.0103 0.9377 0.9377 1.2030 1.2030 2.4572 2.4572 3.1426 3.1426 3.4369 3.4369 4.2494 4.2494 4.8387 4.8387 5.2212 5.2212 6.2103 6.2103 7.5956 7.5956 9.6215 9.6215 9.8724 9.8724 k = 0.5000 0.2887 0.4276 ( 3556 PWs) bands (ev): -25.0722 -25.0722 -25.0642 -25.0642 -9.0590 -9.0590 -8.8427 -8.8427 -8.6546 -8.6546 -8.5964 -8.5964 -8.4808 -8.4808 -8.4567 -8.4567 -8.0391 -8.0391 -2.9907 -2.9907 0.9466 0.9466 1.2123 1.2123 2.4192 2.4192 3.1414 3.1414 3.4391 3.4391 4.2487 4.2487 4.7866 4.7866 5.1645 5.1645 6.2710 6.2710 7.6403 7.6403 9.5837 9.5837 9.8561 9.8561 k = 0.5000 0.2887 0.4117 ( 3546 PWs) bands (ev): -25.0723 -25.0723 -25.0640 -25.0640 -9.0611 -9.0611 -8.8419 -8.8419 -8.6557 -8.6557 -8.5957 -8.5957 -8.4826 -8.4826 -8.4549 -8.4549 -8.0410 -8.0410 -2.9657 -2.9657 0.9580 0.9580 1.2242 1.2242 2.3713 2.3713 3.1396 3.1396 3.4413 3.4413 4.2475 4.2475 4.7243 4.7243 5.0986 5.0986 6.3397 6.3397 7.6952 7.6952 9.5384 9.5384 9.8413 9.8413 k = 0.5000 0.2887 0.3959 ( 3550 PWs) bands (ev): -25.0724 -25.0724 -25.0639 -25.0639 -9.0637 -9.0637 -8.8410 -8.8410 -8.6569 -8.6569 -8.5949 -8.5949 -8.4844 -8.4844 -8.4533 -8.4533 -8.0434 -8.0434 -2.9353 -2.9353 0.9720 0.9720 1.2388 1.2388 2.3143 2.3143 3.1373 3.1373 3.4430 3.4430 4.2460 4.2460 4.6543 4.6543 5.0259 5.0259 6.4133 6.4133 7.7586 7.7586 9.4881 9.4881 9.8284 9.8284 k = 0.5000 0.2887 0.3801 ( 3544 PWs) bands (ev): -25.0725 -25.0725 -25.0638 -25.0638 -9.0666 -9.0666 -8.8400 -8.8400 -8.6581 -8.6581 -8.5941 -8.5941 -8.4861 -8.4861 -8.4516 -8.4516 -8.0460 -8.0460 -2.8996 -2.8996 0.9884 0.9884 1.2561 1.2561 2.2489 2.2489 3.1343 3.1343 3.4438 3.4438 4.2438 4.2438 4.5791 4.5791 4.9479 4.9479 6.4894 6.4894 7.8292 7.8292 9.4350 9.4350 9.8176 9.8176 k = 0.5000 0.2887 0.3642 ( 3552 PWs) bands (ev): -25.0727 -25.0727 -25.0637 -25.0637 -9.0700 -9.0700 -8.8389 -8.8389 -8.6594 -8.6594 -8.5934 -8.5934 -8.4878 -8.4878 -8.4501 -8.4501 -8.0490 -8.0490 -2.8587 -2.8587 1.0074 1.0074 1.2758 1.2758 2.1758 2.1758 3.1307 3.1307 3.4432 3.4432 4.2406 4.2406 4.5009 4.5009 4.8659 4.8659 6.5662 6.5662 7.9055 7.9055 9.3811 9.3811 9.8091 9.8091 k = 0.5000 0.2887 0.3484 ( 3560 PWs) bands (ev): -25.0729 -25.0729 -25.0636 -25.0636 -9.0736 -9.0736 -8.8377 -8.8377 -8.6605 -8.6605 -8.5928 -8.5928 -8.4893 -8.4893 -8.4487 -8.4487 -8.0523 -8.0523 -2.8127 -2.8127 1.0287 1.0287 1.2982 1.2982 2.0957 2.0957 3.1263 3.1263 3.4406 3.4406 4.2352 4.2352 4.4226 4.4226 4.7810 4.7810 6.6422 6.6422 7.9861 7.9861 9.3275 9.3275 9.8031 9.8031 k = 0.5000 0.2887 0.3326 ( 3564 PWs) bands (ev): -25.0731 -25.0731 -25.0634 -25.0634 -9.0776 -9.0776 -8.8365 -8.8365 -8.6616 -8.6616 -8.5922 -8.5922 -8.4906 -8.4906 -8.4474 -8.4474 -8.0558 -8.0558 -2.7618 -2.7618 1.0525 1.0525 1.3231 1.3231 2.0093 2.0093 3.1211 3.1211 3.4355 3.4355 4.2241 4.2241 4.3490 4.3490 4.6941 4.6941 6.7163 6.7163 8.0699 8.0699 9.2753 9.2753 9.8000 9.8000 k = 0.5000 0.2887 0.3167 ( 3562 PWs) bands (ev): -25.0732 -25.0732 -25.0633 -25.0633 -9.0818 -9.0818 -8.8354 -8.8354 -8.6625 -8.6625 -8.5918 -8.5918 -8.4917 -8.4917 -8.4463 -8.4463 -8.0594 -8.0594 -2.7062 -2.7062 1.0787 1.0787 1.3504 1.3504 1.9173 1.9173 3.1149 3.1149 3.4272 3.4272 4.1965 4.1965 4.2925 4.2925 4.6065 4.6065 6.7875 6.7875 8.1559 8.1559 9.2253 9.2253 9.8003 9.8003 k = 0.5000 0.2887 0.3009 ( 3552 PWs) bands (ev): -25.0734 -25.0734 -25.0631 -25.0631 -9.0863 -9.0863 -8.8342 -8.8342 -8.6632 -8.6632 -8.5916 -8.5916 -8.4926 -8.4926 -8.4453 -8.4453 -8.0632 -8.0632 -2.6459 -2.6459 1.1072 1.1072 1.3801 1.3801 1.8205 1.8205 3.1075 3.1075 3.4147 3.4147 4.1422 4.1422 4.2640 4.2640 4.5192 4.5192 6.8549 6.8549 8.2431 8.2431 9.1778 9.1778 9.8044 9.8044 k = 0.5000 0.2887 0.2850 ( 3552 PWs) bands (ev): -25.0736 -25.0736 -25.0629 -25.0629 -9.0909 -9.0909 -8.8331 -8.8331 -8.6637 -8.6637 -8.5914 -8.5914 -8.4933 -8.4933 -8.4445 -8.4445 -8.0671 -8.0671 -2.5813 -2.5813 1.1378 1.1378 1.4117 1.4117 1.7198 1.7198 3.0989 3.0989 3.3971 3.3971 4.0761 4.0761 4.2488 4.2488 4.4346 4.4346 6.9179 6.9179 8.3308 8.3308 9.1332 9.1332 9.8129 9.8129 k = 0.5000 0.2887 0.2692 ( 3560 PWs) bands (ev): -25.0738 -25.0738 -25.0628 -25.0628 -9.0957 -9.0957 -8.8320 -8.8320 -8.6640 -8.6640 -8.5915 -8.5915 -8.4939 -8.4939 -8.4438 -8.4438 -8.0711 -8.0711 -2.5124 -2.5124 1.1702 1.1702 1.4441 1.4441 1.6173 1.6173 3.0887 3.0887 3.3731 3.3731 4.0108 4.0108 4.2316 4.2316 4.3579 4.3579 6.9759 6.9759 8.4180 8.4180 9.0917 9.0917 9.8263 9.8263 k = 0.5000 0.2887 0.2534 ( 3560 PWs) bands (ev): -25.0740 -25.0740 -25.0626 -25.0626 -9.1006 -9.1006 -8.8311 -8.8311 -8.6641 -8.6641 -8.5916 -8.5916 -8.4943 -8.4943 -8.4433 -8.4433 -8.0750 -8.0750 -2.4396 -2.4396 1.2036 1.2036 1.4625 1.4625 1.5292 1.5292 3.0766 3.0766 3.3417 3.3417 3.9508 3.9508 4.1957 4.1957 4.3032 4.3032 7.0286 7.0286 8.5042 8.5042 9.0535 9.0535 9.8448 9.8448 k = 0.5000 0.2887 0.2375 ( 3560 PWs) bands (ev): -25.0742 -25.0742 -25.0625 -25.0625 -9.1055 -9.1055 -8.8302 -8.8302 -8.6640 -8.6640 -8.5918 -8.5918 -8.4945 -8.4945 -8.4429 -8.4429 -8.0789 -8.0789 -2.3630 -2.3630 1.2340 1.2340 1.3911 1.3911 1.5356 1.5356 3.0622 3.0622 3.3022 3.3022 3.8982 3.8982 4.1331 4.1331 4.2784 4.2784 7.0756 7.0756 8.5887 8.5887 9.0187 9.0187 9.8687 9.8687 k = 0.5000 0.2887 0.2217 ( 3556 PWs) bands (ev): -25.0744 -25.0744 -25.0623 -25.0623 -9.1103 -9.1103 -8.8294 -8.8294 -8.6637 -8.6637 -8.5922 -8.5922 -8.4946 -8.4946 -8.4427 -8.4427 -8.0828 -8.0828 -2.2830 -2.2830 1.2273 1.2273 1.3268 1.3268 1.5741 1.5741 3.0449 3.0449 3.2547 3.2547 3.8538 3.8538 4.0596 4.0596 4.2681 4.2681 7.1169 7.1169 8.6706 8.6706 8.9874 8.9874 9.8981 9.8981 k = 0.5000 0.2887 0.2059 ( 3556 PWs) bands (ev): -25.0745 -25.0745 -25.0622 -25.0622 -9.1151 -9.1151 -8.8287 -8.8287 -8.6631 -8.6631 -8.5926 -8.5926 -8.4946 -8.4946 -8.4425 -8.4425 -8.0865 -8.0865 -2.1998 -2.1998 1.1359 1.1359 1.3450 1.3450 1.6174 1.6174 3.0240 3.0240 3.2000 3.2000 3.8169 3.8169 3.9859 3.9859 4.2626 4.2626 7.1527 7.1527 8.7487 8.7487 8.9603 8.9603 9.9328 9.9328 k = 0.5000 0.2887 0.1900 ( 3564 PWs) bands (ev): -25.0747 -25.0747 -25.0621 -25.0621 -9.1199 -9.1199 -8.8281 -8.8281 -8.6624 -8.6624 -8.5931 -8.5931 -8.4945 -8.4945 -8.4425 -8.4425 -8.0901 -8.0901 -2.1137 -2.1137 1.0233 1.0233 1.3846 1.3846 1.6636 1.6636 2.9984 2.9984 3.1402 3.1402 3.7860 3.7860 3.9164 3.9164 4.2591 4.2591 7.1830 7.1830 8.8197 8.8197 8.9401 8.9401 9.9725 9.9725 k = 0.5000 0.2887 0.1742 ( 3558 PWs) bands (ev): -25.0748 -25.0748 -25.0619 -25.0619 -9.1244 -9.1244 -8.8276 -8.8276 -8.6616 -8.6616 -8.5936 -8.5936 -8.4944 -8.4944 -8.4426 -8.4426 -8.0935 -8.0935 -2.0253 -2.0253 0.9067 0.9067 1.4293 1.4293 1.7122 1.7122 2.9662 2.9662 3.0779 3.0779 3.7580 3.7580 3.8546 3.8546 4.2566 4.2566 7.2084 7.2084 8.8664 8.8664 8.9434 8.9434 10.0167 10.0167 k = 0.5000 0.2887 0.1584 ( 3556 PWs) bands (ev): -25.0750 -25.0750 -25.0618 -25.0618 -9.1287 -9.1287 -8.8272 -8.8272 -8.6607 -8.6607 -8.5941 -8.5941 -8.4942 -8.4942 -8.4427 -8.4427 -8.0967 -8.0967 -1.9349 -1.9349 0.7891 0.7891 1.4768 1.4768 1.7629 1.7629 2.9248 2.9248 3.0171 3.0171 3.7273 3.7273 3.8057 3.8057 4.2546 4.2546 7.2291 7.2291 8.8671 8.8671 8.9913 8.9913 10.0647 10.0647 k = 0.5000 0.2887 0.1425 ( 3552 PWs) bands (ev): -25.0751 -25.0751 -25.0617 -25.0617 -9.1328 -9.1328 -8.8268 -8.8268 -8.6597 -8.6597 -8.5947 -8.5947 -8.4939 -8.4939 -8.4429 -8.4429 -8.0996 -8.0996 -1.8431 -1.8431 0.6719 0.6719 1.5262 1.5262 1.8155 1.8155 2.8719 2.8719 2.9611 2.9611 3.6897 3.6897 3.7741 3.7741 4.2530 4.2530 7.2457 7.2457 8.8534 8.8534 9.0515 9.0515 10.1154 10.1154 k = 0.5000 0.2887 0.1267 ( 3556 PWs) bands (ev): -25.0752 -25.0752 -25.0616 -25.0616 -9.1366 -9.1366 -8.8266 -8.8266 -8.6586 -8.6586 -8.5952 -8.5952 -8.4937 -8.4937 -8.4431 -8.4431 -8.1023 -8.1023 -1.7508 -1.7508 0.5561 0.5561 1.5773 1.5773 1.8699 1.8699 2.8091 2.8091 2.9094 2.9094 3.6488 3.6488 3.7555 3.7555 4.2516 4.2516 7.2588 7.2588 8.8385 8.8385 9.1101 9.1101 10.1679 10.1679 k = 0.5000 0.2887 0.1109 ( 3558 PWs) bands (ev): -25.0753 -25.0753 -25.0615 -25.0615 -9.1400 -9.1400 -8.8264 -8.8264 -8.6576 -8.6576 -8.5957 -8.5957 -8.4934 -8.4934 -8.4434 -8.4434 -8.1048 -8.1048 -1.6589 -1.6589 0.4432 0.4432 1.6294 1.6294 1.9257 1.9257 2.7409 2.7409 2.8587 2.8587 3.6105 3.6105 3.7438 3.7438 4.2505 4.2505 7.2690 7.2690 8.8248 8.8248 9.1644 9.1644 10.2207 10.2207 k = 0.5000 0.2887 0.0950 ( 3552 PWs) bands (ev): -25.0754 -25.0754 -25.0614 -25.0614 -9.1430 -9.1430 -8.8262 -8.8262 -8.6566 -8.6566 -8.5961 -8.5961 -8.4932 -8.4932 -8.4436 -8.4436 -8.1069 -8.1069 -1.5688 -1.5688 0.3346 0.3346 1.6819 1.6819 1.9828 1.9828 2.6712 2.6712 2.8070 2.8070 3.5773 3.5773 3.7357 3.7357 4.2496 4.2496 7.2766 7.2766 8.8127 8.8127 9.2131 9.2131 10.2722 10.2722 k = 0.5000 0.2887 0.0792 ( 3566 PWs) bands (ev): -25.0755 -25.0755 -25.0614 -25.0614 -9.1457 -9.1457 -8.8261 -8.8261 -8.6557 -8.6557 -8.5965 -8.5965 -8.4930 -8.4930 -8.4439 -8.4439 -8.1088 -8.1088 -1.4823 -1.4823 0.2321 0.2321 1.7341 1.7341 2.0406 2.0406 2.6024 2.6024 2.7539 2.7539 3.5498 3.5498 3.7300 3.7300 4.2488 4.2488 7.2822 7.2822 8.8023 8.8023 9.2556 9.2556 10.3206 10.3206 k = 0.5000 0.2887 0.0633 ( 3562 PWs) bands (ev): -25.0756 -25.0756 -25.0613 -25.0613 -9.1479 -9.1479 -8.8260 -8.8260 -8.6549 -8.6549 -8.5968 -8.5968 -8.4929 -8.4929 -8.4441 -8.4441 -8.1103 -8.1103 -1.4020 -1.4020 0.1387 0.1387 1.7844 1.7844 2.0985 2.0985 2.5362 2.5362 2.7005 2.7005 3.5281 3.5281 3.7259 3.7259 4.2482 4.2482 7.2862 7.2862 8.7938 8.7938 9.2913 9.2913 10.3639 10.3639 k = 0.5000 0.2887 0.0475 ( 3550 PWs) bands (ev): -25.0756 -25.0756 -25.0613 -25.0613 -9.1496 -9.1496 -8.8259 -8.8259 -8.6543 -8.6543 -8.5971 -8.5971 -8.4927 -8.4927 -8.4443 -8.4443 -8.1115 -8.1115 -1.3313 -1.3313 0.0577 0.0577 1.8309 1.8309 2.1555 2.1555 2.4746 2.4746 2.6490 2.6490 3.5117 3.5117 3.7229 3.7229 4.2478 4.2478 7.2890 7.2890 8.7872 8.7872 9.3196 9.3196 10.4001 10.4001 k = 0.5000 0.2887 0.0317 ( 3546 PWs) bands (ev): -25.0756 -25.0756 -25.0612 -25.0612 -9.1509 -9.1509 -8.8258 -8.8258 -8.6538 -8.6538 -8.5973 -8.5973 -8.4926 -8.4926 -8.4444 -8.4444 -8.1123 -8.1123 -1.2749 -1.2749 -0.0061 -0.0061 1.8700 1.8700 2.2101 2.2101 2.4193 2.4193 2.6032 2.6032 3.5003 3.5003 3.7210 3.7210 4.2474 4.2474 7.2907 7.2907 8.7825 8.7825 9.3401 9.3401 10.4274 10.4274 k = 0.5000 0.2887 0.0158 ( 3546 PWs) bands (ev): -25.0756 -25.0756 -25.0612 -25.0612 -9.1517 -9.1517 -8.8258 -8.8258 -8.6535 -8.6535 -8.5974 -8.5974 -8.4926 -8.4926 -8.4445 -8.4445 -8.1128 -8.1128 -1.2380 -1.2380 -0.0474 -0.0474 1.8970 1.8970 2.2590 2.2590 2.3722 2.3722 2.5697 2.5697 3.4937 3.4937 3.7199 3.7199 4.2472 4.2472 7.2917 7.2917 8.7797 8.7797 9.3525 9.3525 10.4443 10.4443 k = 0.5000 0.2887-0.0000 ( 3548 PWs) bands (ev): -25.0756 -25.0756 -25.0612 -25.0612 -9.1519 -9.1519 -8.8258 -8.8258 -8.6534 -8.6534 -8.5974 -8.5974 -8.4926 -8.4926 -8.4445 -8.4445 -8.1130 -8.1130 -1.2250 -1.2250 -0.0619 -0.0619 1.9068 1.9068 2.2869 2.2869 2.3456 2.3456 2.5570 2.5570 3.4915 3.4915 3.7195 3.7195 4.2472 4.2472 7.2920 7.2920 8.7787 8.7787 9.3567 9.3567 10.4500 10.4500 k = 0.3333 0.5774-0.0000 ( 3576 PWs) bands (ev): -25.0684 -25.0684 -25.0683 -25.0683 -9.1905 -9.1905 -8.7986 -8.7986 -8.6953 -8.6953 -8.5327 -8.5327 -8.5085 -8.5085 -8.4493 -8.4493 -8.1085 -8.1085 -1.2211 -1.2211 -0.0440 -0.0440 2.0510 2.0510 2.0950 2.0950 2.3700 2.3700 2.5708 2.5708 3.5335 3.5335 3.7805 3.7805 4.2035 4.2035 7.7103 7.7103 7.8039 7.8039 10.0420 10.0420 10.2756 10.2756 k = 0.3333 0.5774 0.0158 ( 3570 PWs) bands (ev): -25.0684 -25.0684 -25.0683 -25.0683 -9.1901 -9.1901 -8.7988 -8.7988 -8.6954 -8.6954 -8.5326 -8.5326 -8.5085 -8.5085 -8.4493 -8.4493 -8.1083 -8.1083 -1.2338 -1.2338 -0.0297 -0.0297 2.0355 2.0355 2.0861 2.0861 2.3872 2.3872 2.5798 2.5798 3.5356 3.5356 3.7807 3.7807 4.2037 4.2037 7.7098 7.7098 7.8040 7.8040 10.0349 10.0349 10.2675 10.2675 k = 0.3333 0.5774 0.0317 ( 3561 PWs) bands (ev): -25.0683 -25.0683 -25.0683 -25.0683 -9.1891 -9.1891 -8.7991 -8.7991 -8.6959 -8.6959 -8.5322 -8.5322 -8.5084 -8.5084 -8.4493 -8.4493 -8.1076 -8.1076 -1.2703 -1.2703 0.0113 0.0113 1.9962 1.9962 2.0613 2.0613 2.4314 2.4314 2.6049 2.6049 3.5420 3.5420 3.7815 3.7815 4.2041 4.2041 7.7081 7.7081 7.8044 7.8044 10.0144 10.0144 10.2441 10.2441 k = 0.3333 0.5774 0.0475 ( 3564 PWs) bands (ev): -25.0683 -25.0683 -25.0683 -25.0683 -9.1874 -9.1874 -8.7998 -8.7998 -8.6968 -8.6968 -8.5317 -8.5317 -8.5084 -8.5084 -8.4494 -8.4494 -8.1065 -8.1065 -1.3261 -1.3261 0.0746 0.0746 1.9448 1.9448 2.0248 2.0248 2.4911 2.4911 2.6414 2.6414 3.5528 3.5528 3.7827 3.7827 4.2050 4.2050 7.7051 7.7051 7.8049 7.8049 9.9824 9.9824 10.2076 10.2076 k = 0.3333 0.5774 0.0633 ( 3564 PWs) bands (ev): -25.0683 -25.0683 -25.0683 -25.0683 -9.1851 -9.1851 -8.8006 -8.8006 -8.6979 -8.6979 -8.5310 -8.5310 -8.5084 -8.5084 -8.4494 -8.4494 -8.1050 -8.1050 -1.3962 -1.3962 0.1551 0.1551 1.8882 1.8882 1.9809 1.9809 2.5590 2.5590 2.6850 2.6850 3.5685 3.5685 3.7846 3.7846 4.2061 4.2061 7.7007 7.7007 7.8053 7.8053 9.9415 9.9415 10.1606 10.1606 k = 0.3333 0.5774 0.0792 ( 3564 PWs) bands (ev): -25.0683 -25.0683 -25.0683 -25.0683 -9.1822 -9.1822 -8.8018 -8.8018 -8.6993 -8.6993 -8.5301 -8.5301 -8.5085 -8.5085 -8.4494 -8.4494 -8.1031 -8.1031 -1.4759 -1.4759 0.2481 0.2481 1.8299 1.8299 1.9327 1.9327 2.6316 2.6316 2.7319 2.7319 3.5893 3.5893 3.7872 3.7872 4.2075 4.2075 7.6944 7.6944 7.8055 7.8055 9.8945 9.8945 10.1061 10.1061 k = 0.3333 0.5774 0.0950 ( 3558 PWs) bands (ev): -25.0683 -25.0683 -25.0683 -25.0683 -9.1786 -9.1786 -8.8031 -8.8031 -8.7010 -8.7010 -8.5290 -8.5290 -8.5087 -8.5087 -8.4493 -8.4493 -8.1008 -8.1008 -1.5619 -1.5619 0.3502 0.3502 1.7715 1.7715 1.8823 1.8823 2.7072 2.7072 2.7796 2.7796 3.6158 3.6158 3.7907 3.7907 4.2093 4.2093 7.6861 7.6861 7.8049 7.8049 9.8437 9.8437 10.0466 10.0466 k = 0.3333 0.5774 0.1109 ( 3564 PWs) bands (ev): -25.0683 -25.0683 -25.0683 -25.0683 -9.1745 -9.1745 -8.8046 -8.8046 -8.7029 -8.7029 -8.5278 -8.5278 -8.5090 -8.5090 -8.4491 -8.4491 -8.0981 -8.0981 -1.6515 -1.6515 0.4587 0.4587 1.7140 1.7140 1.8310 1.8310 2.7843 2.7843 2.8263 2.8263 3.6486 3.6486 3.7953 3.7953 4.2113 4.2113 7.6752 7.6752 7.8034 7.8034 9.7913 9.7913 9.9842 9.9842 k = 0.3333 0.5774 0.1267 ( 3552 PWs) bands (ev): -25.0683 -25.0683 -25.0682 -25.0682 -9.1698 -9.1698 -8.8063 -8.8063 -8.7051 -8.7051 -8.5264 -8.5264 -8.5095 -8.5095 -8.4487 -8.4487 -8.0950 -8.0950 -1.7429 -1.7429 0.5715 0.5715 1.6578 1.6578 1.7798 1.7798 2.8622 2.8622 2.8705 2.8705 3.6879 3.6879 3.8013 3.8013 4.2137 4.2137 7.6613 7.6613 7.8002 7.8002 9.7393 9.7393 9.9209 9.9209 k = 0.3333 0.5774 0.1425 ( 3552 PWs) bands (ev): -25.0683 -25.0683 -25.0682 -25.0682 -9.1646 -9.1646 -8.8081 -8.8081 -8.7074 -8.7074 -8.5249 -8.5249 -8.5103 -8.5103 -8.4483 -8.4483 -8.0916 -8.0916 -1.8348 -1.8348 0.6872 0.6872 1.6034 1.6034 1.7291 1.7291 2.9113 2.9113 2.9400 2.9400 3.7340 3.7340 3.8091 3.8091 4.2164 4.2164 7.6438 7.6438 7.7949 7.7949 9.6892 9.6892 9.8583 9.8583 k = 0.3333 0.5774 0.1584 ( 3555 PWs) bands (ev): -25.0683 -25.0683 -25.0682 -25.0682 -9.1589 -9.1589 -8.8101 -8.8101 -8.7098 -8.7098 -8.5234 -8.5234 -8.5113 -8.5113 -8.4477 -8.4477 -8.0879 -8.0879 -1.9262 -1.9262 0.8046 0.8046 1.5510 1.5510 1.6795 1.6795 2.9481 2.9481 3.0168 3.0168 3.7870 3.7870 3.8192 3.8192 4.2195 4.2195 7.6222 7.6222 7.7867 7.7867 9.6425 9.6425 9.7979 9.7979 k = 0.3333 0.5774 0.1742 ( 3555 PWs) bands (ev): -25.0682 -25.0682 -25.0682 -25.0682 -9.1529 -9.1529 -8.8121 -8.8121 -8.7124 -8.7124 -8.5217 -8.5217 -8.5126 -8.5126 -8.4468 -8.4468 -8.0839 -8.0839 -2.0163 -2.0163 0.9225 0.9225 1.5010 1.5010 1.6313 1.6313 2.9808 2.9808 3.0915 3.0915 3.8325 3.8325 3.8467 3.8467 4.2230 4.2230 7.5961 7.5961 7.7750 7.7750 9.6003 9.6003 9.7410 9.7410 k = 0.3333 0.5774 0.1900 ( 3549 PWs) bands (ev): -25.0682 -25.0682 -25.0682 -25.0682 -9.1465 -9.1465 -8.8143 -8.8143 -8.7150 -8.7150 -8.5200 -8.5200 -8.5142 -8.5142 -8.4459 -8.4459 -8.0797 -8.0797 -2.1044 -2.1044 1.0399 1.0399 1.4538 1.4538 1.5846 1.5846 3.0094 3.0094 3.1628 3.1628 3.8497 3.8497 3.9126 3.9126 4.2269 4.2269 7.5649 7.5649 7.7591 7.7591 9.5638 9.5638 9.6888 9.6888 k = 0.3333 0.5774 0.2059 ( 3552 PWs) bands (ev): -25.0682 -25.0682 -25.0682 -25.0682 -9.1398 -9.1398 -8.8165 -8.8165 -8.7176 -8.7176 -8.5182 -8.5182 -8.5161 -8.5161 -8.4447 -8.4447 -8.0753 -8.0753 -2.1902 -2.1902 1.1547 1.1547 1.4109 1.4109 1.5398 1.5398 3.0342 3.0342 3.2294 3.2294 3.8720 3.8720 3.9841 3.9841 4.2314 4.2314 7.5283 7.5283 7.7381 7.7381 9.5335 9.5335 9.6426 9.6426 k = 0.3333 0.5774 0.2217 ( 3558 PWs) bands (ev): -25.0682 -25.0682 -25.0682 -25.0682 -9.1328 -9.1328 -8.8188 -8.8188 -8.7203 -8.7203 -8.5183 -8.5183 -8.5164 -8.5164 -8.4435 -8.4435 -8.0707 -8.0707 -2.2731 -2.2731 1.2580 1.2580 1.3804 1.3804 1.4969 1.4969 3.0555 3.0555 3.2897 3.2897 3.9003 3.9003 4.0605 4.0605 4.2367 4.2367 7.4862 7.4862 7.7116 7.7116 9.5103 9.5103 9.6033 9.6033 k = 0.3333 0.5774 0.2375 ( 3558 PWs) bands (ev): -25.0682 -25.0682 -25.0681 -25.0681 -9.1257 -9.1257 -8.8210 -8.8210 -8.7229 -8.7229 -8.5206 -8.5206 -8.5147 -8.5147 -8.4421 -8.4421 -8.0660 -8.0660 -2.3529 -2.3529 1.2930 1.2930 1.4190 1.4190 1.4561 1.4561 3.0738 3.0738 3.3423 3.3423 3.9354 3.9354 4.1411 4.1411 4.2431 4.2431 7.4386 7.4386 7.6789 7.6789 9.4943 9.4943 9.5716 9.5716 k = 0.3333 0.5774 0.2534 ( 3558 PWs) bands (ev): -25.0682 -25.0682 -25.0681 -25.0681 -9.1185 -9.1185 -8.8232 -8.8232 -8.7256 -8.7256 -8.5232 -8.5232 -8.5129 -8.5129 -8.4406 -8.4406 -8.0612 -8.0612 -2.4293 -2.4293 1.2661 1.2661 1.4174 1.4174 1.5194 1.5194 3.0895 3.0895 3.3863 3.3863 3.9773 3.9773 4.2252 4.2252 4.2514 4.2514 7.3857 7.3857 7.6400 7.6400 9.4857 9.4857 9.5481 9.5481 k = 0.3333 0.5774 0.2692 ( 3549 PWs) bands (ev): -25.0681 -25.0681 -25.0681 -25.0681 -9.1113 -9.1113 -8.8254 -8.8254 -8.7281 -8.7281 -8.5259 -8.5259 -8.5112 -8.5112 -8.4391 -8.4391 -8.0564 -8.0564 -2.5019 -2.5019 1.2324 1.2324 1.3810 1.3810 1.6262 1.6262 3.1031 3.1031 3.4215 3.4215 4.0244 4.0244 4.2627 4.2627 4.3120 4.3120 7.3278 7.3278 7.5947 7.5947 9.4845 9.4845 9.5330 9.5330 k = 0.3333 0.5774 0.2850 ( 3558 PWs) bands (ev): -25.0682 -25.0682 -25.0681 -25.0681 -9.1041 -9.1041 -8.8276 -8.8276 -8.7305 -8.7305 -8.5288 -8.5288 -8.5095 -8.5095 -8.4376 -8.4376 -8.0516 -8.0516 -2.5705 -2.5705 1.1992 1.1992 1.3468 1.3468 1.7314 1.7314 3.1147 3.1147 3.4485 3.4485 4.0734 4.0734 4.2797 4.2797 4.4007 4.4007 7.2655 7.2655 7.5432 7.5432 9.4903 9.4903 9.5264 9.5264 k = 0.3333 0.5774 0.3009 ( 3546 PWs) bands (ev): -25.0681 -25.0681 -25.0681 -25.0681 -9.0970 -9.0970 -8.8296 -8.8296 -8.7328 -8.7328 -8.5317 -8.5317 -8.5079 -8.5079 -8.4360 -8.4360 -8.0469 -8.0469 -2.6350 -2.6350 1.1678 1.1678 1.3151 1.3151 1.8335 1.8335 3.1247 3.1247 3.4683 3.4683 4.1186 4.1186 4.3062 4.3062 4.4908 4.4908 7.1995 7.1995 7.4862 7.4862 9.5028 9.5028 9.5280 9.5280 k = 0.3333 0.5774 0.3167 ( 3546 PWs) bands (ev): -25.0681 -25.0681 -25.0680 -25.0680 -9.0901 -9.0901 -8.8316 -8.8316 -8.7350 -8.7350 -8.5346 -8.5346 -8.5063 -8.5063 -8.4345 -8.4345 -8.0423 -8.0423 -2.6950 -2.6950 1.1386 1.1386 1.2857 1.2857 1.9311 1.9311 3.1334 3.1334 3.4823 3.4823 4.1542 4.1542 4.3466 4.3466 4.5815 4.5815 7.1306 7.1306 7.4244 7.4244 9.5214 9.5214 9.5373 9.5373 k = 0.3333 0.5774 0.3326 ( 3549 PWs) bands (ev): -25.0681 -25.0681 -25.0680 -25.0680 -9.0835 -9.0835 -8.8335 -8.8335 -8.7371 -8.7371 -8.5375 -8.5375 -8.5049 -8.5049 -8.4331 -8.4331 -8.0378 -8.0378 -2.7505 -2.7505 1.1117 1.1117 1.2587 1.2587 2.0238 2.0238 3.1408 3.1408 3.4915 3.4915 4.1783 4.1783 4.4009 4.4009 4.6720 4.6720 7.0598 7.0598 7.3587 7.3587 9.5454 9.5454 9.5536 9.5536 k = 0.3333 0.5774 0.3484 ( 3549 PWs) bands (ev): -25.0681 -25.0681 -25.0680 -25.0680 -9.0772 -9.0772 -8.8352 -8.8352 -8.7389 -8.7389 -8.5404 -8.5404 -8.5035 -8.5035 -8.4317 -8.4317 -8.0336 -8.0336 -2.8012 -2.8012 1.0873 1.0873 1.2342 1.2342 2.1107 2.1107 3.1472 3.1472 3.4969 3.4969 4.1937 4.1937 4.4646 4.4646 4.7614 4.7614 6.9882 6.9882 7.2903 7.2903 9.5742 9.5742 9.5760 9.5760 k = 0.3333 0.5774 0.3642 ( 3549 PWs) bands (ev): -25.0681 -25.0681 -25.0680 -25.0680 -9.0714 -9.0714 -8.8368 -8.8368 -8.7406 -8.7406 -8.5431 -8.5431 -8.5023 -8.5023 -8.4304 -8.4304 -8.0297 -8.0297 -2.8470 -2.8470 1.0653 1.0653 1.2123 1.2123 2.1913 2.1913 3.1527 3.1527 3.4995 3.4995 4.2039 4.2039 4.5328 4.5328 4.8487 4.8487 6.9169 6.9169 7.2205 7.2205 9.6035 9.6035 9.6067 9.6067 k = 0.3333 0.5774 0.3801 ( 3543 PWs) bands (ev): -25.0680 -25.0680 -25.0680 -25.0680 -9.0660 -9.0660 -8.8382 -8.8382 -8.7421 -8.7421 -8.5456 -8.5456 -8.5012 -8.5012 -8.4293 -8.4293 -8.0261 -8.0261 -2.8878 -2.8878 1.0459 1.0459 1.1928 1.1928 2.2648 2.2648 3.1574 3.1574 3.4998 3.4998 4.2110 4.2110 4.6017 4.6017 4.9327 4.9327 6.8474 6.8474 7.1510 7.1510 9.6350 9.6350 9.6422 9.6422 k = 0.3333 0.5774 0.3959 ( 3555 PWs) bands (ev): -25.0681 -25.0681 -25.0680 -25.0680 -9.0612 -9.0612 -8.8394 -8.8394 -8.7435 -8.7435 -8.5479 -8.5479 -8.5003 -8.5003 -8.4282 -8.4282 -8.0229 -8.0229 -2.9234 -2.9234 1.0290 1.0290 1.1759 1.1759 2.3305 2.3305 3.1613 3.1613 3.4986 3.4986 4.2161 4.2161 4.6684 4.6684 5.0121 5.0121 6.7811 6.7811 7.0834 7.0834 9.6692 9.6692 9.6793 9.6793 k = 0.3333 0.5774 0.4117 ( 3552 PWs) bands (ev): -25.0680 -25.0680 -25.0680 -25.0680 -9.0571 -9.0571 -8.8405 -8.8405 -8.7446 -8.7446 -8.5500 -8.5500 -8.4994 -8.4994 -8.4273 -8.4273 -8.0201 -8.0201 -2.9537 -2.9537 1.0147 1.0147 1.1616 1.1616 2.3878 2.3878 3.1645 3.1645 3.4964 3.4964 4.2199 4.2199 4.7306 4.7306 5.0852 5.0852 6.7199 6.7199 7.0199 7.0199 9.7045 9.7045 9.7166 9.7166 k = 0.3333 0.5774 0.4276 ( 3552 PWs) bands (ev): -25.0680 -25.0680 -25.0680 -25.0680 -9.0536 -9.0536 -8.8414 -8.8414 -8.7455 -8.7455 -8.5517 -8.5517 -8.4987 -8.4987 -8.4266 -8.4266 -8.0178 -8.0178 -2.9786 -2.9786 1.0030 1.0030 1.1499 1.1499 2.4360 2.4360 3.1671 3.1671 3.4936 3.4936 4.2227 4.2227 4.7860 4.7860 5.1498 5.1498 6.6656 6.6656 6.9626 6.9626 9.7390 9.7390 9.7525 9.7525 k = 0.3333 0.5774 0.4434 ( 3552 PWs) bands (ev): -25.0680 -25.0680 -25.0680 -25.0680 -9.0508 -9.0508 -8.8421 -8.8421 -8.7462 -8.7462 -8.5531 -8.5531 -8.4982 -8.4982 -8.4260 -8.4260 -8.0159 -8.0159 -2.9981 -2.9981 0.9939 0.9939 1.1407 1.1407 2.4743 2.4743 3.1690 3.1690 3.4909 3.4909 4.2248 4.2248 4.8322 4.8322 5.2038 5.2038 6.6203 6.6203 6.9141 6.9141 9.7703 9.7703 9.7847 9.7847 k = 0.3333 0.5774 0.4592 ( 3546 PWs) bands (ev): -25.0680 -25.0680 -25.0680 -25.0680 -9.0488 -9.0488 -8.8426 -8.8426 -8.7467 -8.7467 -8.5541 -8.5541 -8.4978 -8.4978 -8.4256 -8.4256 -8.0146 -8.0146 -3.0121 -3.0121 0.9873 0.9873 1.1342 1.1342 2.5022 2.5022 3.1704 3.1704 3.4885 3.4885 4.2262 4.2262 4.8672 4.8672 5.2448 5.2448 6.5860 6.5860 6.8769 6.8769 9.7958 9.7958 9.8106 9.8106 k = 0.3333 0.5774 0.4751 ( 3546 PWs) bands (ev): -25.0680 -25.0680 -25.0680 -25.0680 -9.0476 -9.0476 -8.8429 -8.8429 -8.7470 -8.7470 -8.5547 -8.5547 -8.4975 -8.4975 -8.4253 -8.4253 -8.0137 -8.0137 -3.0205 -3.0205 0.9834 0.9834 1.1303 1.1303 2.5191 2.5191 3.1713 3.1713 3.4869 3.4869 4.2270 4.2270 4.8890 4.8890 5.2704 5.2704 6.5646 6.5646 6.8535 6.8535 9.8127 9.8127 9.8277 9.8277 k = 0.3333 0.5774 0.4909 ( 3564 PWs) bands (ev): -25.0681 -25.0681 -25.0680 -25.0680 -9.0472 -9.0472 -8.8431 -8.8431 -8.7472 -8.7472 -8.5549 -8.5549 -8.4975 -8.4975 -8.4253 -8.4253 -8.0135 -8.0135 -3.0233 -3.0233 0.9821 0.9821 1.1290 1.1290 2.5247 2.5247 3.1715 3.1715 3.4864 3.4864 4.2273 4.2273 4.8965 4.8965 5.2792 5.2792 6.5573 6.5573 6.8454 6.8454 9.8186 9.8186 9.8336 9.8336 Writing output data file K2PtC2.save init_run : 0.56s CPU 0.96s WALL ( 1 calls) electrons : 142.80s CPU 146.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 142.80s CPU 146.29s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 298 calls) cegterg : 132.20s CPU 133.98s WALL ( 566 calls) Called by sum_band: Called by *egterg: h_psi : 71.45s CPU 72.63s WALL ( 9758 calls) s_psi : 4.08s CPU 4.14s WALL ( 9758 calls) g_psi : 0.20s CPU 0.19s WALL ( 8894 calls) cdiaghg : 52.10s CPU 53.05s WALL ( 9192 calls) cegterg:over : 4.58s CPU 4.40s WALL ( 8894 calls) cegterg:upda : 4.22s CPU 4.15s WALL ( 8894 calls) cegterg:last : 1.97s CPU 2.05s WALL ( 1410 calls) cdiaghg:chol : 2.75s CPU 2.95s WALL ( 9192 calls) cdiaghg:inve : 1.60s CPU 1.78s WALL ( 9192 calls) cdiaghg:para : 3.10s CPU 3.12s WALL ( 18384 calls) Called by h_psi: h_psi:vloc : 62.01s CPU 63.01s WALL ( 9758 calls) h_psi:vnl : 9.21s CPU 9.43s WALL ( 9758 calls) add_vuspsi : 4.51s CPU 4.77s WALL ( 9758 calls) General routines calbec : 4.67s CPU 4.63s WALL ( 9758 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 56.23s CPU 57.09s WALL ( 730000 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.16s WALL ( 596 calls) Parallel routines fft_scatter : 20.24s CPU 20.72s WALL ( 730023 calls) PWSCF : 2m35.56s CPU 3m 2.53s WALL This run was terminated on: 16:21:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=