Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:18:41 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: ./K2PdC2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 96 41 12 4760 1345 206 Max 97 42 13 4765 1364 210 Sum 3463 1507 433 171405 48799 7503 bravais-lattice index = 14 lattice parameter (alat) = 9.5931 a.u. unit-cell volume = 797.3086 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.593118 celldm(2)= 1.000000 celldm(3)= 1.042837 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 1.042837 ) 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 0.958923 ) 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 Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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) Pd 18.00 106.42000 Pd( 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= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0138889 0.0080188 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0694444 0.0400938 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0972222 0.0561313 -0.0000000), wk = 0.0033670 k( 9) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1527778 0.0882063 -0.0000000), wk = 0.0033670 k( 13) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1805556 0.1042438 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0033670 k( 16) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0033670 k( 17) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0033670 k( 18) = ( 0.2361111 0.1363188 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2638889 0.1523563 -0.0000000), wk = 0.0033670 k( 21) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0033670 k( 23) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0033670 k( 24) = ( 0.3194444 0.1844313 -0.0000000), wk = 0.0033670 k( 25) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033670 k( 26) = ( 0.3472222 0.2004688 -0.0000000), wk = 0.0033670 k( 27) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033670 k( 29) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0033670 k( 30) = ( 0.4027778 0.2325439 -0.0000000), wk = 0.0033670 k( 31) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033670 k( 32) = ( 0.4305556 0.2485814 -0.0000000), wk = 0.0033670 k( 33) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0033670 k( 34) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0033670 k( 35) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0033670 k( 36) = ( 0.4861111 0.2806564 -0.0000000), wk = 0.0033670 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0033670 k( 40) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0033670 k( 43) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0033670 k( 44) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0033670 k( 45) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033670 k( 46) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0033670 k( 47) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0033670 k( 48) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0033670 k( 49) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0033670 k( 51) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0033670 k( 52) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033670 k( 53) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0033670 k( 54) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0033670 k( 55) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0033670 k( 56) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0033670 k( 57) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0033670 k( 58) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0033670 k( 59) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 60) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 61) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0033670 k( 62) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0033670 k( 63) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0033670 k( 64) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0033670 k( 65) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0033670 k( 66) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0033670 k( 67) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033670 k( 68) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0033670 k( 69) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0033670 k( 70) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0033670 k( 71) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0033670 k( 72) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0033670 k( 73) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0033670 k( 74) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033670 k( 75) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0033670 k( 76) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0033670 k( 77) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0033670 k( 78) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0033670 k( 79) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0033670 k( 80) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0033670 k( 81) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033670 k( 82) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0033670 k( 83) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0033670 k( 84) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0033670 k( 85) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0033670 k( 86) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0033670 k( 87) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0033670 k( 88) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033670 k( 89) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0033670 k( 90) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0033670 k( 91) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0033670 k( 92) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0033670 k( 93) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0033670 k( 94) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0033670 k( 95) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033670 k( 96) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0033670 k( 97) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0033670 k( 98) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0033670 k( 99) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0033670 k( 100) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0033670 k( 101) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0033670 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 104) = ( 0.0000000 0.0000000 0.0159820), wk = 0.0033670 k( 105) = ( 0.0000000 0.0000000 0.0319641), wk = 0.0033670 k( 106) = ( 0.0000000 0.0000000 0.0479461), wk = 0.0033670 k( 107) = ( 0.0000000 0.0000000 0.0639282), wk = 0.0033670 k( 108) = ( 0.0000000 0.0000000 0.0799102), wk = 0.0033670 k( 109) = ( 0.0000000 0.0000000 0.0958923), wk = 0.0033670 k( 110) = ( 0.0000000 0.0000000 0.1118743), wk = 0.0033670 k( 111) = ( 0.0000000 0.0000000 0.1278564), wk = 0.0033670 k( 112) = ( 0.0000000 0.0000000 0.1438384), wk = 0.0033670 k( 113) = ( 0.0000000 0.0000000 0.1598205), wk = 0.0033670 k( 114) = ( 0.0000000 0.0000000 0.1758025), wk = 0.0033670 k( 115) = ( 0.0000000 0.0000000 0.1917845), wk = 0.0033670 k( 116) = ( 0.0000000 0.0000000 0.2077666), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.2237486), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.2397307), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.2557127), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.2716948), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.2876768), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.3036589), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.3196409), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.3356229), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.3516050), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.3675870), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.3835691), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.3995511), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.4155332), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.4315152), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.4474973), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.4634793), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.4794613), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.4794613), wk = 0.0033670 k( 135) = ( 0.0138889 0.0080188 0.4794613), wk = 0.0033670 k( 136) = ( 0.0277778 0.0160375 0.4794613), wk = 0.0033670 k( 137) = ( 0.0416667 0.0240563 0.4794613), wk = 0.0033670 k( 138) = ( 0.0555556 0.0320750 0.4794613), wk = 0.0033670 k( 139) = ( 0.0694444 0.0400938 0.4794613), wk = 0.0033670 k( 140) = ( 0.0833333 0.0481125 0.4794613), wk = 0.0033670 k( 141) = ( 0.0972222 0.0561313 0.4794613), wk = 0.0033670 k( 142) = ( 0.1111111 0.0641500 0.4794613), wk = 0.0033670 k( 143) = ( 0.1250000 0.0721688 0.4794613), wk = 0.0033670 k( 144) = ( 0.1388889 0.0801875 0.4794613), wk = 0.0033670 k( 145) = ( 0.1527778 0.0882063 0.4794613), wk = 0.0033670 k( 146) = ( 0.1666667 0.0962250 0.4794613), wk = 0.0033670 k( 147) = ( 0.1805556 0.1042438 0.4794613), wk = 0.0033670 k( 148) = ( 0.1944444 0.1122625 0.4794613), wk = 0.0033670 k( 149) = ( 0.2083333 0.1202813 0.4794613), wk = 0.0033670 k( 150) = ( 0.2222222 0.1283001 0.4794613), wk = 0.0033670 k( 151) = ( 0.2361111 0.1363188 0.4794613), wk = 0.0033670 k( 152) = ( 0.2500000 0.1443376 0.4794613), wk = 0.0033670 k( 153) = ( 0.2638889 0.1523563 0.4794613), wk = 0.0033670 k( 154) = ( 0.2777778 0.1603751 0.4794613), wk = 0.0033670 k( 155) = ( 0.2916667 0.1683938 0.4794613), wk = 0.0033670 k( 156) = ( 0.3055556 0.1764126 0.4794613), wk = 0.0033670 k( 157) = ( 0.3194444 0.1844313 0.4794613), wk = 0.0033670 k( 158) = ( 0.3333333 0.1924501 0.4794613), wk = 0.0033670 k( 159) = ( 0.3472222 0.2004688 0.4794613), wk = 0.0033670 k( 160) = ( 0.3611111 0.2084876 0.4794613), wk = 0.0033670 k( 161) = ( 0.3750000 0.2165064 0.4794613), wk = 0.0033670 k( 162) = ( 0.3888889 0.2245251 0.4794613), wk = 0.0033670 k( 163) = ( 0.4027778 0.2325439 0.4794613), wk = 0.0033670 k( 164) = ( 0.4166667 0.2405626 0.4794613), wk = 0.0033670 k( 165) = ( 0.4305556 0.2485814 0.4794613), wk = 0.0033670 k( 166) = ( 0.4444444 0.2566001 0.4794613), wk = 0.0033670 k( 167) = ( 0.4583333 0.2646189 0.4794613), wk = 0.0033670 k( 168) = ( 0.4722222 0.2726376 0.4794613), wk = 0.0033670 k( 169) = ( 0.4861111 0.2806564 0.4794613), wk = 0.0033670 k( 170) = ( 0.5000000 0.2886751 0.4794613), wk = 0.0033670 k( 171) = ( 0.5000000 0.2886751 0.4794613), wk = 0.0033670 k( 172) = ( 0.4920635 0.3024216 0.4794613), wk = 0.0033670 k( 173) = ( 0.4841270 0.3161680 0.4794613), wk = 0.0033670 k( 174) = ( 0.4761905 0.3299144 0.4794613), wk = 0.0033670 k( 175) = ( 0.4682540 0.3436609 0.4794613), wk = 0.0033670 k( 176) = ( 0.4603175 0.3574073 0.4794613), wk = 0.0033670 k( 177) = ( 0.4523810 0.3711537 0.4794613), wk = 0.0033670 k( 178) = ( 0.4444444 0.3849002 0.4794613), wk = 0.0033670 k( 179) = ( 0.4365079 0.3986466 0.4794613), wk = 0.0033670 k( 180) = ( 0.4285714 0.4123930 0.4794613), wk = 0.0033670 k( 181) = ( 0.4206349 0.4261395 0.4794613), wk = 0.0033670 k( 182) = ( 0.4126984 0.4398859 0.4794613), wk = 0.0033670 k( 183) = ( 0.4047619 0.4536324 0.4794613), wk = 0.0033670 k( 184) = ( 0.3968254 0.4673788 0.4794613), wk = 0.0033670 k( 185) = ( 0.3888889 0.4811252 0.4794613), wk = 0.0033670 k( 186) = ( 0.3809524 0.4948717 0.4794613), wk = 0.0033670 k( 187) = ( 0.3730159 0.5086181 0.4794613), wk = 0.0033670 k( 188) = ( 0.3650794 0.5223645 0.4794613), wk = 0.0033670 k( 189) = ( 0.3571429 0.5361110 0.4794613), wk = 0.0033670 k( 190) = ( 0.3492063 0.5498574 0.4794613), wk = 0.0033670 k( 191) = ( 0.3412698 0.5636038 0.4794613), wk = 0.0033670 k( 192) = ( 0.3333333 0.5773503 0.4794613), wk = 0.0033670 k( 193) = ( 0.3333333 0.5773503 0.4794613), wk = 0.0033670 k( 194) = ( 0.3253968 0.5636038 0.4794613), wk = 0.0033670 k( 195) = ( 0.3174603 0.5498574 0.4794613), wk = 0.0033670 k( 196) = ( 0.3095238 0.5361110 0.4794613), wk = 0.0033670 k( 197) = ( 0.3015873 0.5223645 0.4794613), wk = 0.0033670 k( 198) = ( 0.2936508 0.5086181 0.4794613), wk = 0.0033670 k( 199) = ( 0.2857143 0.4948717 0.4794613), wk = 0.0033670 k( 200) = ( 0.2777778 0.4811252 0.4794613), wk = 0.0033670 k( 201) = ( 0.2698413 0.4673788 0.4794613), wk = 0.0033670 k( 202) = ( 0.2619048 0.4536324 0.4794613), wk = 0.0033670 k( 203) = ( 0.2539683 0.4398859 0.4794613), wk = 0.0033670 k( 204) = ( 0.2460317 0.4261395 0.4794613), wk = 0.0033670 k( 205) = ( 0.2380952 0.4123931 0.4794613), wk = 0.0033670 k( 206) = ( 0.2301587 0.3986466 0.4794613), wk = 0.0033670 k( 207) = ( 0.2222222 0.3849002 0.4794613), wk = 0.0033670 k( 208) = ( 0.2142857 0.3711537 0.4794613), wk = 0.0033670 k( 209) = ( 0.2063492 0.3574073 0.4794613), wk = 0.0033670 k( 210) = ( 0.1984127 0.3436609 0.4794613), wk = 0.0033670 k( 211) = ( 0.1904762 0.3299144 0.4794613), wk = 0.0033670 k( 212) = ( 0.1825397 0.3161680 0.4794613), wk = 0.0033670 k( 213) = ( 0.1746032 0.3024216 0.4794613), wk = 0.0033670 k( 214) = ( 0.1666667 0.2886751 0.4794613), wk = 0.0033670 k( 215) = ( 0.1587302 0.2749287 0.4794613), wk = 0.0033670 k( 216) = ( 0.1507937 0.2611823 0.4794613), wk = 0.0033670 k( 217) = ( 0.1428571 0.2474358 0.4794613), wk = 0.0033670 k( 218) = ( 0.1349206 0.2336894 0.4794613), wk = 0.0033670 k( 219) = ( 0.1269841 0.2199430 0.4794613), wk = 0.0033670 k( 220) = ( 0.1190476 0.2061965 0.4794613), wk = 0.0033670 k( 221) = ( 0.1111111 0.1924501 0.4794613), wk = 0.0033670 k( 222) = ( 0.1031746 0.1787036 0.4794613), wk = 0.0033670 k( 223) = ( 0.0952381 0.1649572 0.4794613), wk = 0.0033670 k( 224) = ( 0.0873016 0.1512108 0.4794613), wk = 0.0033670 k( 225) = ( 0.0793651 0.1374644 0.4794613), wk = 0.0033670 k( 226) = ( 0.0714286 0.1237179 0.4794613), wk = 0.0033670 k( 227) = ( 0.0634921 0.1099715 0.4794613), wk = 0.0033670 k( 228) = ( 0.0555556 0.0962251 0.4794613), wk = 0.0033670 k( 229) = ( 0.0476191 0.0824786 0.4794613), wk = 0.0033670 k( 230) = ( 0.0396825 0.0687322 0.4794613), wk = 0.0033670 k( 231) = ( 0.0317460 0.0549857 0.4794613), wk = 0.0033670 k( 232) = ( 0.0238095 0.0412393 0.4794613), wk = 0.0033670 k( 233) = ( 0.0158730 0.0274929 0.4794613), wk = 0.0033670 k( 234) = ( 0.0079365 0.0137464 0.4794613), wk = 0.0033670 k( 235) = ( 0.0000000 0.0000000 0.4794613), wk = 0.0033670 k( 236) = ( 0.5000000 0.2886751 0.4794613), wk = 0.0033670 k( 237) = ( 0.5000000 0.2886751 0.4634793), wk = 0.0033670 k( 238) = ( 0.5000000 0.2886751 0.4474973), wk = 0.0033670 k( 239) = ( 0.5000000 0.2886751 0.4315152), wk = 0.0033670 k( 240) = ( 0.5000000 0.2886751 0.4155332), wk = 0.0033670 k( 241) = ( 0.5000000 0.2886751 0.3995511), wk = 0.0033670 k( 242) = ( 0.5000000 0.2886751 0.3835691), wk = 0.0033670 k( 243) = ( 0.5000000 0.2886751 0.3675870), wk = 0.0033670 k( 244) = ( 0.5000000 0.2886751 0.3516050), wk = 0.0033670 k( 245) = ( 0.5000000 0.2886751 0.3356229), wk = 0.0033670 k( 246) = ( 0.5000000 0.2886751 0.3196409), wk = 0.0033670 k( 247) = ( 0.5000000 0.2886751 0.3036589), wk = 0.0033670 k( 248) = ( 0.5000000 0.2886751 0.2876768), wk = 0.0033670 k( 249) = ( 0.5000000 0.2886751 0.2716948), wk = 0.0033670 k( 250) = ( 0.5000000 0.2886751 0.2557127), wk = 0.0033670 k( 251) = ( 0.5000000 0.2886751 0.2397307), wk = 0.0033670 k( 252) = ( 0.5000000 0.2886751 0.2237486), wk = 0.0033670 k( 253) = ( 0.5000000 0.2886751 0.2077666), wk = 0.0033670 k( 254) = ( 0.5000000 0.2886751 0.1917845), wk = 0.0033670 k( 255) = ( 0.5000000 0.2886751 0.1758025), wk = 0.0033670 k( 256) = ( 0.5000000 0.2886751 0.1598205), wk = 0.0033670 k( 257) = ( 0.5000000 0.2886751 0.1438384), wk = 0.0033670 k( 258) = ( 0.5000000 0.2886751 0.1278564), wk = 0.0033670 k( 259) = ( 0.5000000 0.2886751 0.1118743), wk = 0.0033670 k( 260) = ( 0.5000000 0.2886751 0.0958923), wk = 0.0033670 k( 261) = ( 0.5000000 0.2886751 0.0799102), wk = 0.0033670 k( 262) = ( 0.5000000 0.2886751 0.0639282), wk = 0.0033670 k( 263) = ( 0.5000000 0.2886751 0.0479461), wk = 0.0033670 k( 264) = ( 0.5000000 0.2886751 0.0319641), wk = 0.0033670 k( 265) = ( 0.5000000 0.2886751 0.0159820), wk = 0.0033670 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 268) = ( 0.3333333 0.5773503 0.0159820), wk = 0.0033670 k( 269) = ( 0.3333333 0.5773503 0.0319641), wk = 0.0033670 k( 270) = ( 0.3333333 0.5773503 0.0479461), wk = 0.0033670 k( 271) = ( 0.3333333 0.5773503 0.0639282), wk = 0.0033670 k( 272) = ( 0.3333333 0.5773503 0.0799102), wk = 0.0033670 k( 273) = ( 0.3333333 0.5773503 0.0958923), wk = 0.0033670 k( 274) = ( 0.3333333 0.5773503 0.1118743), wk = 0.0033670 k( 275) = ( 0.3333333 0.5773503 0.1278564), wk = 0.0033670 k( 276) = ( 0.3333333 0.5773503 0.1438384), wk = 0.0033670 k( 277) = ( 0.3333333 0.5773503 0.1598205), wk = 0.0033670 k( 278) = ( 0.3333333 0.5773503 0.1758025), wk = 0.0033670 k( 279) = ( 0.3333333 0.5773503 0.1917845), wk = 0.0033670 k( 280) = ( 0.3333333 0.5773503 0.2077666), wk = 0.0033670 k( 281) = ( 0.3333333 0.5773503 0.2237486), wk = 0.0033670 k( 282) = ( 0.3333333 0.5773503 0.2397307), wk = 0.0033670 k( 283) = ( 0.3333333 0.5773503 0.2557127), wk = 0.0033670 k( 284) = ( 0.3333333 0.5773503 0.2716948), wk = 0.0033670 k( 285) = ( 0.3333333 0.5773503 0.2876768), wk = 0.0033670 k( 286) = ( 0.3333333 0.5773503 0.3036589), wk = 0.0033670 k( 287) = ( 0.3333333 0.5773503 0.3196409), wk = 0.0033670 k( 288) = ( 0.3333333 0.5773503 0.3356229), wk = 0.0033670 k( 289) = ( 0.3333333 0.5773503 0.3516050), wk = 0.0033670 k( 290) = ( 0.3333333 0.5773503 0.3675870), wk = 0.0033670 k( 291) = ( 0.3333333 0.5773503 0.3835691), wk = 0.0033670 k( 292) = ( 0.3333333 0.5773503 0.3995511), wk = 0.0033670 k( 293) = ( 0.3333333 0.5773503 0.4155332), wk = 0.0033670 k( 294) = ( 0.3333333 0.5773503 0.4315152), wk = 0.0033670 k( 295) = ( 0.3333333 0.5773503 0.4474973), wk = 0.0033670 k( 296) = ( 0.3333333 0.5773503 0.4634793), wk = 0.0033670 k( 297) = ( 0.3333333 0.5773503 0.4794613), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0138889 -0.0000000 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0033670 k( 5) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0694444 0.0000000 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0033670 k( 8) = ( 0.0972222 -0.0000000 -0.0000000), wk = 0.0033670 k( 9) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1388889 0.0000000 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1527778 -0.0000000 0.0000000), wk = 0.0033670 k( 13) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1805556 0.0000000 0.0000000), wk = 0.0033670 k( 15) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0033670 k( 16) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0033670 k( 17) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0033670 k( 18) = ( 0.2361111 -0.0000000 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2638889 0.0000000 0.0000000), wk = 0.0033670 k( 21) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0033670 k( 23) = ( 0.3055556 -0.0000000 0.0000000), wk = 0.0033670 k( 24) = ( 0.3194444 0.0000000 0.0000000), wk = 0.0033670 k( 25) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0033670 k( 26) = ( 0.3472222 0.0000000 -0.0000000), wk = 0.0033670 k( 27) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0033670 k( 29) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0033670 k( 30) = ( 0.4027778 -0.0000000 -0.0000000), wk = 0.0033670 k( 31) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0033670 k( 32) = ( 0.4305556 -0.0000000 -0.0000000), wk = 0.0033670 k( 33) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0033670 k( 34) = ( 0.4583333 0.0000000 -0.0000000), wk = 0.0033670 k( 35) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0033670 k( 36) = ( 0.4861111 -0.0000000 -0.0000000), wk = 0.0033670 k( 37) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 38) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4920635 0.0158730 -0.0000000), wk = 0.0033670 k( 40) = ( 0.4841270 0.0317460 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0033670 k( 42) = ( 0.4682540 0.0634921 -0.0000000), wk = 0.0033670 k( 43) = ( 0.4603175 0.0793651 0.0000000), wk = 0.0033670 k( 44) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0033670 k( 45) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0033670 k( 46) = ( 0.4365079 0.1269841 -0.0000000), wk = 0.0033670 k( 47) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0033670 k( 48) = ( 0.4206349 0.1587302 -0.0000000), wk = 0.0033670 k( 49) = ( 0.4126984 0.1746032 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0033670 k( 51) = ( 0.3968254 0.2063492 0.0000000), wk = 0.0033670 k( 52) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033670 k( 53) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0033670 k( 54) = ( 0.3730159 0.2539683 0.0000000), wk = 0.0033670 k( 55) = ( 0.3650794 0.2698413 0.0000000), wk = 0.0033670 k( 56) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0033670 k( 57) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0033670 k( 58) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0033670 k( 59) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033670 k( 60) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033670 k( 61) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0033670 k( 62) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0033670 k( 63) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0033670 k( 64) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0033670 k( 65) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0033670 k( 66) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0033670 k( 67) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0033670 k( 68) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0033670 k( 69) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0033670 k( 70) = ( 0.2539683 0.2539683 -0.0000000), wk = 0.0033670 k( 71) = ( 0.2460317 0.2460317 0.0000000), wk = 0.0033670 k( 72) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0033670 k( 73) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0033670 k( 74) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033670 k( 75) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0033670 k( 76) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0033670 k( 77) = ( 0.1984127 0.1984127 0.0000000), wk = 0.0033670 k( 78) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0033670 k( 79) = ( 0.1825397 0.1825397 0.0000000), wk = 0.0033670 k( 80) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0033670 k( 81) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033670 k( 82) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0033670 k( 83) = ( 0.1507937 0.1507937 -0.0000000), wk = 0.0033670 k( 84) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0033670 k( 85) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0033670 k( 86) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0033670 k( 87) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0033670 k( 88) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033670 k( 89) = ( 0.1031746 0.1031746 0.0000000), wk = 0.0033670 k( 90) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0033670 k( 91) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0033670 k( 92) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0033670 k( 93) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0033670 k( 94) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0033670 k( 95) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033670 k( 96) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0033670 k( 97) = ( 0.0396825 0.0396825 0.0000000), wk = 0.0033670 k( 98) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0033670 k( 99) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0033670 k( 100) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0033670 k( 101) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0033670 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 104) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0033670 k( 105) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0033670 k( 106) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033670 k( 107) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0033670 k( 108) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033670 k( 109) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033670 k( 110) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0033670 k( 111) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0033670 k( 112) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033670 k( 113) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033670 k( 114) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0033670 k( 115) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033670 k( 116) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 135) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0033670 k( 136) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0033670 k( 137) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0033670 k( 138) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0033670 k( 139) = ( 0.0694444 0.0000000 0.5000000), wk = 0.0033670 k( 140) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0033670 k( 141) = ( 0.0972222 -0.0000000 0.5000000), wk = 0.0033670 k( 142) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0033670 k( 143) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0033670 k( 144) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0033670 k( 145) = ( 0.1527778 -0.0000000 0.5000000), wk = 0.0033670 k( 146) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0033670 k( 147) = ( 0.1805556 0.0000000 0.5000000), wk = 0.0033670 k( 148) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0033670 k( 149) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0033670 k( 150) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0033670 k( 151) = ( 0.2361111 -0.0000000 0.5000000), wk = 0.0033670 k( 152) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033670 k( 153) = ( 0.2638889 0.0000000 0.5000000), wk = 0.0033670 k( 154) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0033670 k( 155) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0033670 k( 156) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0033670 k( 157) = ( 0.3194444 0.0000000 0.5000000), wk = 0.0033670 k( 158) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0033670 k( 159) = ( 0.3472222 0.0000000 0.5000000), wk = 0.0033670 k( 160) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0033670 k( 161) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0033670 k( 162) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0033670 k( 163) = ( 0.4027778 -0.0000000 0.5000000), wk = 0.0033670 k( 164) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0033670 k( 165) = ( 0.4305556 -0.0000000 0.5000000), wk = 0.0033670 k( 166) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0033670 k( 167) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0033670 k( 168) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0033670 k( 169) = ( 0.4861111 -0.0000000 0.5000000), wk = 0.0033670 k( 170) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 171) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 172) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0033670 k( 173) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0033670 k( 174) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0033670 k( 175) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0033670 k( 176) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0033670 k( 177) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0033670 k( 178) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033670 k( 179) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0033670 k( 180) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0033670 k( 181) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0033670 k( 182) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0033670 k( 183) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0033670 k( 184) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0033670 k( 185) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033670 k( 186) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0033670 k( 187) = ( 0.3730159 0.2539683 0.5000000), wk = 0.0033670 k( 188) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0033670 k( 189) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0033670 k( 190) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0033670 k( 191) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0033670 k( 192) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 193) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 194) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0033670 k( 195) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0033670 k( 196) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0033670 k( 197) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0033670 k( 198) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0033670 k( 199) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0033670 k( 200) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033670 k( 201) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0033670 k( 202) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0033670 k( 203) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0033670 k( 204) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0033670 k( 205) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0033670 k( 206) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0033670 k( 207) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033670 k( 208) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0033670 k( 209) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0033670 k( 210) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0033670 k( 211) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0033670 k( 212) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0033670 k( 213) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0033670 k( 214) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033670 k( 215) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0033670 k( 216) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0033670 k( 217) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0033670 k( 218) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0033670 k( 219) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0033670 k( 220) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0033670 k( 221) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033670 k( 222) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0033670 k( 223) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0033670 k( 224) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0033670 k( 225) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0033670 k( 226) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0033670 k( 227) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0033670 k( 228) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033670 k( 229) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0033670 k( 230) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0033670 k( 231) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0033670 k( 232) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0033670 k( 233) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0033670 k( 234) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0033670 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 237) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0033670 k( 238) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0033670 k( 239) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0033670 k( 240) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0033670 k( 241) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033670 k( 242) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0033670 k( 243) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0033670 k( 244) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0033670 k( 245) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0033670 k( 246) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033670 k( 247) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0033670 k( 248) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0033670 k( 249) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0033670 k( 250) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0033670 k( 251) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033670 k( 252) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0033670 k( 253) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0033670 k( 254) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0033670 k( 255) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0033670 k( 256) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033670 k( 257) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0033670 k( 258) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0033670 k( 259) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0033670 k( 260) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0033670 k( 261) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033670 k( 262) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0033670 k( 263) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0033670 k( 264) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0033670 k( 265) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0033670 k( 266) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 267) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033670 k( 268) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0033670 k( 269) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0033670 k( 270) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0033670 k( 271) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0033670 k( 272) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033670 k( 273) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0033670 k( 274) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0033670 k( 275) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0033670 k( 276) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0033670 k( 277) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033670 k( 278) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0033670 k( 279) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0033670 k( 280) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0033670 k( 281) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0033670 k( 282) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033670 k( 283) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0033670 k( 284) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0033670 k( 285) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0033670 k( 286) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0033670 k( 287) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033670 k( 288) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0033670 k( 289) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0033670 k( 290) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0033670 k( 291) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0033670 k( 292) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033670 k( 293) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0033670 k( 294) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0033670 k( 295) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0033670 k( 296) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0033670 k( 297) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 Dense grid: 171405 G-vectors FFT dimensions: ( 72, 72, 75) Smooth grid: 48799 G-vectors FFT dimensions: ( 48, 48, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 348, 52) NL pseudopotentials 0.35 Mb ( 174, 130) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.04 Mb ( 4765) G-vector shells 0.02 Mb ( 2121) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.10 Mb ( 348, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.21 Mb ( 130, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./K2PdC2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 6.6 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.9 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 9.2 secs Computing kpt #: 9 total cpu time spent up to now is 9.9 secs Computing kpt #: 10 total cpu time spent up to now is 10.5 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 12.5 secs Computing kpt #: 14 total cpu time spent up to now is 13.3 secs Computing kpt #: 15 total cpu time spent up to now is 13.9 secs Computing kpt #: 16 total cpu time spent up to now is 14.5 secs Computing kpt #: 17 total cpu time spent up to now is 15.2 secs Computing kpt #: 18 total cpu time spent up to now is 15.8 secs Computing kpt #: 19 total cpu time spent up to now is 16.4 secs Computing kpt #: 20 total cpu time spent up to now is 17.1 secs Computing kpt #: 21 total cpu time spent up to now is 17.7 secs Computing kpt #: 22 total cpu time spent up to now is 18.4 secs Computing kpt #: 23 total cpu time spent up to now is 19.0 secs Computing kpt #: 24 total cpu time spent up to now is 19.6 secs Computing kpt #: 25 total cpu time spent up to now is 20.3 secs Computing kpt #: 26 total cpu time spent up to now is 20.9 secs Computing kpt #: 27 total cpu time spent up to now is 21.6 secs Computing kpt #: 28 total cpu time spent up to now is 22.2 secs Computing kpt #: 29 total cpu time spent up to now is 22.9 secs Computing kpt #: 30 total cpu time spent up to now is 23.5 secs Computing kpt #: 31 total cpu time spent up to now is 24.2 secs Computing kpt #: 32 total cpu time spent up to now is 24.8 secs Computing kpt #: 33 total cpu time spent up to now is 25.5 secs Computing kpt #: 34 total cpu time spent up to now is 26.1 secs Computing kpt #: 35 total cpu time spent up to now is 26.7 secs Computing kpt #: 36 total cpu time spent up to now is 27.4 secs Computing kpt #: 37 total cpu time spent up to now is 28.0 secs Computing kpt #: 38 total cpu time spent up to now is 28.7 secs Computing kpt #: 39 total cpu time spent up to now is 29.3 secs Computing kpt #: 40 total cpu time spent up to now is 30.0 secs Computing kpt #: 41 total cpu time spent up to now is 30.7 secs Computing kpt #: 42 total cpu time spent up to now is 31.4 secs Computing kpt #: 43 total cpu time spent up to now is 32.1 secs Computing kpt #: 44 total cpu time spent up to now is 32.7 secs Computing kpt #: 45 total cpu time spent up to now is 33.4 secs Computing kpt #: 46 total cpu time spent up to now is 34.0 secs Computing kpt #: 47 total cpu time spent up to now is 34.7 secs Computing kpt #: 48 total cpu time spent up to now is 35.4 secs Computing kpt #: 49 total cpu time spent up to now is 36.1 secs Computing kpt #: 50 total cpu time spent up to now is 36.7 secs Computing kpt #: 51 total cpu time spent up to now is 37.4 secs Computing kpt #: 52 total cpu time spent up to now is 38.0 secs Computing kpt #: 53 total cpu time spent up to now is 38.6 secs Computing kpt #: 54 total cpu time spent up to now is 39.3 secs Computing kpt #: 55 total cpu time spent up to now is 39.9 secs Computing kpt #: 56 total cpu time spent up to now is 40.5 secs Computing kpt #: 57 total cpu time spent up to now is 41.2 secs Computing kpt #: 58 total cpu time spent up to now is 41.8 secs Computing kpt #: 59 total cpu time spent up to now is 42.3 secs Computing kpt #: 60 total cpu time spent up to now is 43.0 secs Computing kpt #: 61 total cpu time spent up to now is 43.5 secs Computing kpt #: 62 total cpu time spent up to now is 44.1 secs Computing kpt #: 63 total cpu time spent up to now is 44.8 secs Computing kpt #: 64 total cpu time spent up to now is 45.4 secs Computing kpt #: 65 total cpu time spent up to now is 46.1 secs Computing kpt #: 66 total cpu time spent up to now is 46.7 secs Computing kpt #: 67 total cpu time spent up to now is 47.3 secs Computing kpt #: 68 total cpu time spent up to now is 48.0 secs Computing kpt #: 69 total cpu time spent up to now is 48.6 secs Computing kpt #: 70 total cpu time spent up to now is 49.3 secs Computing kpt #: 71 total cpu time spent up to now is 50.0 secs Computing kpt #: 72 total cpu time spent up to now is 50.6 secs Computing kpt #: 73 total cpu time spent up to now is 51.3 secs Computing kpt #: 74 total cpu time spent up to now is 51.9 secs Computing kpt #: 75 total cpu time spent up to now is 52.6 secs Computing kpt #: 76 total cpu time spent up to now is 53.2 secs Computing kpt #: 77 total cpu time spent up to now is 53.9 secs Computing kpt #: 78 total cpu time spent up to now is 54.5 secs Computing kpt #: 79 total cpu time spent up to now is 55.2 secs Computing kpt #: 80 total cpu time spent up to now is 55.8 secs Computing kpt #: 81 total cpu time spent up to now is 56.4 secs Computing kpt #: 82 total cpu time spent up to now is 57.0 secs Computing kpt #: 83 total cpu time spent up to now is 57.6 secs Computing kpt #: 84 total cpu time spent up to now is 58.3 secs Computing kpt #: 85 total cpu time spent up to now is 58.9 secs Computing kpt #: 86 total cpu time spent up to now is 59.6 secs Computing kpt #: 87 total cpu time spent up to now is 60.2 secs Computing kpt #: 88 total cpu time spent up to now is 60.9 secs Computing kpt #: 89 total cpu time spent up to now is 61.5 secs Computing kpt #: 90 total cpu time spent up to now is 62.1 secs Computing kpt #: 91 total cpu time spent up to now is 62.8 secs Computing kpt #: 92 total cpu time spent up to now is 63.5 secs Computing kpt #: 93 total cpu time spent up to now is 64.1 secs Computing kpt #: 94 total cpu time spent up to now is 64.7 secs Computing kpt #: 95 total cpu time spent up to now is 65.4 secs Computing kpt #: 96 total cpu time spent up to now is 66.1 secs Computing kpt #: 97 total cpu time spent up to now is 66.7 secs Computing kpt #: 98 total cpu time spent up to now is 67.4 secs Computing kpt #: 99 total cpu time spent up to now is 68.0 secs Computing kpt #: 100 total cpu time spent up to now is 68.6 secs Computing kpt #: 101 total cpu time spent up to now is 69.2 secs Computing kpt #: 102 total cpu time spent up to now is 69.7 secs Computing kpt #: 103 total cpu time spent up to now is 70.3 secs Computing kpt #: 104 total cpu time spent up to now is 70.9 secs Computing kpt #: 105 total cpu time spent up to now is 71.4 secs Computing kpt #: 106 total cpu time spent up to now is 71.9 secs Computing kpt #: 107 total cpu time spent up to now is 72.5 secs Computing kpt #: 108 total cpu time spent up to now is 73.0 secs Computing kpt #: 109 total cpu time spent up to now is 73.5 secs Computing kpt #: 110 total cpu time spent up to now is 74.0 secs Computing kpt #: 111 total cpu time spent up to now is 74.5 secs Computing kpt #: 112 total cpu time spent up to now is 75.0 secs Computing kpt #: 113 total cpu time spent up to now is 75.5 secs Computing kpt #: 114 total cpu time spent up to now is 76.0 secs Computing kpt #: 115 total cpu time spent up to now is 76.6 secs Computing kpt #: 116 total cpu time spent up to now is 77.1 secs Computing kpt #: 117 total cpu time spent up to now is 77.6 secs Computing kpt #: 118 total cpu time spent up to now is 78.1 secs Computing kpt #: 119 total cpu time spent up to now is 78.6 secs Computing kpt #: 120 total cpu time spent up to now is 79.1 secs Computing kpt #: 121 total cpu time spent up to now is 79.6 secs Computing kpt #: 122 total cpu time spent up to now is 80.1 secs Computing kpt #: 123 total cpu time spent up to now is 80.6 secs Computing kpt #: 124 total cpu time spent up to now is 81.0 secs Computing kpt #: 125 total cpu time spent up to now is 81.5 secs Computing kpt #: 126 total cpu time spent up to now is 82.0 secs Computing kpt #: 127 total cpu time spent up to now is 82.4 secs Computing kpt #: 128 total cpu time spent up to now is 82.9 secs Computing kpt #: 129 total cpu time spent up to now is 83.4 secs Computing kpt #: 130 total cpu time spent up to now is 83.9 secs Computing kpt #: 131 total cpu time spent up to now is 84.3 secs Computing kpt #: 132 total cpu time spent up to now is 84.8 secs Computing kpt #: 133 total cpu time spent up to now is 85.3 secs Computing kpt #: 134 total cpu time spent up to now is 85.7 secs Computing kpt #: 135 total cpu time spent up to now is 86.2 secs Computing kpt #: 136 total cpu time spent up to now is 86.7 secs Computing kpt #: 137 total cpu time spent up to now is 87.2 secs Computing kpt #: 138 total cpu time spent up to now is 87.6 secs Computing kpt #: 139 total cpu time spent up to now is 88.1 secs Computing kpt #: 140 total cpu time spent up to now is 88.6 secs Computing kpt #: 141 total cpu time spent up to now is 89.1 secs Computing kpt #: 142 total cpu time spent up to now is 89.6 secs Computing kpt #: 143 total cpu time spent up to now is 90.1 secs Computing kpt #: 144 total cpu time spent up to now is 90.6 secs Computing kpt #: 145 total cpu time spent up to now is 91.1 secs Computing kpt #: 146 total cpu time spent up to now is 91.5 secs Computing kpt #: 147 total cpu time spent up to now is 92.0 secs Computing kpt #: 148 total cpu time spent up to now is 92.5 secs Computing kpt #: 149 total cpu time spent up to now is 93.0 secs Computing kpt #: 150 total cpu time spent up to now is 93.5 secs Computing kpt #: 151 total cpu time spent up to now is 94.0 secs Computing kpt #: 152 total cpu time spent up to now is 94.6 secs Computing kpt #: 153 total cpu time spent up to now is 95.1 secs Computing kpt #: 154 total cpu time spent up to now is 95.6 secs Computing kpt #: 155 total cpu time spent up to now is 96.1 secs Computing kpt #: 156 total cpu time spent up to now is 96.6 secs Computing kpt #: 157 total cpu time spent up to now is 97.2 secs Computing kpt #: 158 total cpu time spent up to now is 97.7 secs Computing kpt #: 159 total cpu time spent up to now is 98.2 secs Computing kpt #: 160 total cpu time spent up to now is 98.8 secs Computing kpt #: 161 total cpu time spent up to now is 99.3 secs Computing kpt #: 162 total cpu time spent up to now is 99.9 secs Computing kpt #: 163 total cpu time spent up to now is 100.4 secs Computing kpt #: 164 total cpu time spent up to now is 101.0 secs Computing kpt #: 165 total cpu time spent up to now is 101.7 secs Computing kpt #: 166 total cpu time spent up to now is 102.3 secs Computing kpt #: 167 total cpu time spent up to now is 102.9 secs Computing kpt #: 168 total cpu time spent up to now is 103.5 secs Computing kpt #: 169 total cpu time spent up to now is 104.2 secs Computing kpt #: 170 total cpu time spent up to now is 104.8 secs Computing kpt #: 171 total cpu time spent up to now is 105.4 secs Computing kpt #: 172 total cpu time spent up to now is 106.0 secs Computing kpt #: 173 total cpu time spent up to now is 106.6 secs Computing kpt #: 174 total cpu time spent up to now is 107.3 secs Computing kpt #: 175 total cpu time spent up to now is 108.0 secs Computing kpt #: 176 total cpu time spent up to now is 108.6 secs Computing kpt #: 177 total cpu time spent up to now is 109.2 secs Computing kpt #: 178 total cpu time spent up to now is 109.9 secs Computing kpt #: 179 total cpu time spent up to now is 110.5 secs Computing kpt #: 180 total cpu time spent up to now is 111.2 secs Computing kpt #: 181 total cpu time spent up to now is 111.8 secs Computing kpt #: 182 total cpu time spent up to now is 112.4 secs Computing kpt #: 183 total cpu time spent up to now is 113.0 secs Computing kpt #: 184 total cpu time spent up to now is 113.7 secs Computing kpt #: 185 total cpu time spent up to now is 114.3 secs Computing kpt #: 186 total cpu time spent up to now is 115.0 secs Computing kpt #: 187 total cpu time spent up to now is 115.6 secs Computing kpt #: 188 total cpu time spent up to now is 116.2 secs Computing kpt #: 189 total cpu time spent up to now is 116.9 secs Computing kpt #: 190 total cpu time spent up to now is 117.5 secs Computing kpt #: 191 total cpu time spent up to now is 118.2 secs Computing kpt #: 192 total cpu time spent up to now is 118.9 secs Computing kpt #: 193 total cpu time spent up to now is 119.5 secs Computing kpt #: 194 total cpu time spent up to now is 120.1 secs Computing kpt #: 195 total cpu time spent up to now is 120.8 secs Computing kpt #: 196 total cpu time spent up to now is 121.4 secs Computing kpt #: 197 total cpu time spent up to now is 122.0 secs Computing kpt #: 198 total cpu time spent up to now is 122.7 secs Computing kpt #: 199 total cpu time spent up to now is 123.3 secs Computing kpt #: 200 total cpu time spent up to now is 124.0 secs Computing kpt #: 201 total cpu time spent up to now is 124.6 secs Computing kpt #: 202 total cpu time spent up to now is 125.3 secs Computing kpt #: 203 total cpu time spent up to now is 125.9 secs Computing kpt #: 204 total cpu time spent up to now is 126.5 secs Computing kpt #: 205 total cpu time spent up to now is 127.1 secs Computing kpt #: 206 total cpu time spent up to now is 127.8 secs Computing kpt #: 207 total cpu time spent up to now is 128.4 secs Computing kpt #: 208 total cpu time spent up to now is 128.9 secs Computing kpt #: 209 total cpu time spent up to now is 129.5 secs Computing kpt #: 210 total cpu time spent up to now is 130.0 secs Computing kpt #: 211 total cpu time spent up to now is 130.6 secs Computing kpt #: 212 total cpu time spent up to now is 131.1 secs Computing kpt #: 213 total cpu time spent up to now is 131.6 secs Computing kpt #: 214 total cpu time spent up to now is 132.1 secs Computing kpt #: 215 total cpu time spent up to now is 132.7 secs Computing kpt #: 216 total cpu time spent up to now is 133.2 secs Computing kpt #: 217 total cpu time spent up to now is 133.7 secs Computing kpt #: 218 total cpu time spent up to now is 134.2 secs Computing kpt #: 219 total cpu time spent up to now is 134.7 secs Computing kpt #: 220 total cpu time spent up to now is 135.2 secs Computing kpt #: 221 total cpu time spent up to now is 135.7 secs Computing kpt #: 222 total cpu time spent up to now is 136.2 secs Computing kpt #: 223 total cpu time spent up to now is 136.7 secs Computing kpt #: 224 total cpu time spent up to now is 137.2 secs Computing kpt #: 225 total cpu time spent up to now is 137.6 secs Computing kpt #: 226 total cpu time spent up to now is 138.1 secs Computing kpt #: 227 total cpu time spent up to now is 138.6 secs Computing kpt #: 228 total cpu time spent up to now is 139.1 secs Computing kpt #: 229 total cpu time spent up to now is 139.6 secs Computing kpt #: 230 total cpu time spent up to now is 140.1 secs Computing kpt #: 231 total cpu time spent up to now is 140.6 secs Computing kpt #: 232 total cpu time spent up to now is 141.0 secs Computing kpt #: 233 total cpu time spent up to now is 141.5 secs Computing kpt #: 234 total cpu time spent up to now is 142.0 secs Computing kpt #: 235 total cpu time spent up to now is 142.5 secs Computing kpt #: 236 total cpu time spent up to now is 143.1 secs Computing kpt #: 237 total cpu time spent up to now is 143.7 secs Computing kpt #: 238 total cpu time spent up to now is 144.3 secs Computing kpt #: 239 total cpu time spent up to now is 144.9 secs Computing kpt #: 240 total cpu time spent up to now is 145.6 secs Computing kpt #: 241 total cpu time spent up to now is 146.2 secs Computing kpt #: 242 total cpu time spent up to now is 146.8 secs Computing kpt #: 243 total cpu time spent up to now is 147.5 secs Computing kpt #: 244 total cpu time spent up to now is 148.1 secs Computing kpt #: 245 total cpu time spent up to now is 148.7 secs Computing kpt #: 246 total cpu time spent up to now is 149.3 secs Computing kpt #: 247 total cpu time spent up to now is 149.9 secs Computing kpt #: 248 total cpu time spent up to now is 150.5 secs Computing kpt #: 249 total cpu time spent up to now is 151.1 secs Computing kpt #: 250 total cpu time spent up to now is 151.6 secs Computing kpt #: 251 total cpu time spent up to now is 152.2 secs Computing kpt #: 252 total cpu time spent up to now is 152.7 secs Computing kpt #: 253 total cpu time spent up to now is 153.3 secs Computing kpt #: 254 total cpu time spent up to now is 153.8 secs Computing kpt #: 255 total cpu time spent up to now is 154.4 secs Computing kpt #: 256 total cpu time spent up to now is 155.0 secs Computing kpt #: 257 total cpu time spent up to now is 155.6 secs Computing kpt #: 258 total cpu time spent up to now is 156.2 secs Computing kpt #: 259 total cpu time spent up to now is 156.9 secs Computing kpt #: 260 total cpu time spent up to now is 157.5 secs Computing kpt #: 261 total cpu time spent up to now is 158.1 secs Computing kpt #: 262 total cpu time spent up to now is 158.7 secs Computing kpt #: 263 total cpu time spent up to now is 159.3 secs Computing kpt #: 264 total cpu time spent up to now is 159.9 secs Computing kpt #: 265 total cpu time spent up to now is 160.6 secs Computing kpt #: 266 total cpu time spent up to now is 161.2 secs Computing kpt #: 267 total cpu time spent up to now is 161.8 secs Computing kpt #: 268 total cpu time spent up to now is 162.4 secs Computing kpt #: 269 total cpu time spent up to now is 162.9 secs Computing kpt #: 270 total cpu time spent up to now is 163.5 secs Computing kpt #: 271 total cpu time spent up to now is 164.0 secs Computing kpt #: 272 total cpu time spent up to now is 164.6 secs Computing kpt #: 273 total cpu time spent up to now is 165.1 secs Computing kpt #: 274 total cpu time spent up to now is 165.6 secs Computing kpt #: 275 total cpu time spent up to now is 166.2 secs Computing kpt #: 276 total cpu time spent up to now is 166.7 secs Computing kpt #: 277 total cpu time spent up to now is 167.2 secs Computing kpt #: 278 total cpu time spent up to now is 167.7 secs Computing kpt #: 279 total cpu time spent up to now is 168.2 secs Computing kpt #: 280 total cpu time spent up to now is 168.7 secs Computing kpt #: 281 total cpu time spent up to now is 169.3 secs Computing kpt #: 282 total cpu time spent up to now is 169.8 secs Computing kpt #: 283 total cpu time spent up to now is 170.3 secs Computing kpt #: 284 total cpu time spent up to now is 170.8 secs Computing kpt #: 285 total cpu time spent up to now is 171.3 secs Computing kpt #: 286 total cpu time spent up to now is 171.8 secs Computing kpt #: 287 total cpu time spent up to now is 172.3 secs Computing kpt #: 288 total cpu time spent up to now is 172.8 secs Computing kpt #: 289 total cpu time spent up to now is 173.3 secs Computing kpt #: 290 total cpu time spent up to now is 173.9 secs Computing kpt #: 291 total cpu time spent up to now is 174.4 secs Computing kpt #: 292 total cpu time spent up to now is 174.9 secs Computing kpt #: 293 total cpu time spent up to now is 175.6 secs Computing kpt #: 294 total cpu time spent up to now is 176.2 secs Computing kpt #: 295 total cpu time spent up to now is 176.8 secs Computing kpt #: 296 total cpu time spent up to now is 177.5 secs Computing kpt #: 297 total cpu time spent up to now is 178.1 secs ethr = 2.27E-08, avg # of iterations = 20.3 total cpu time spent up to now is 178.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6079 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7858 -24.7858 -24.7396 -24.7396 -8.6161 -8.6161 -8.3910 -8.3910 -8.3544 -8.3544 -8.2367 -8.2367 -8.1329 -8.1329 -8.1119 -8.1119 -7.9002 -7.9002 0.1713 0.1713 0.4805 0.4805 2.7418 2.7418 2.7600 2.7600 3.2346 3.2346 3.3655 3.3655 3.7314 3.7314 3.9089 3.9089 4.2034 4.2034 9.3767 9.3767 9.7198 9.7198 10.4259 10.4259 10.4685 10.4685 k = 0.0139 0.0080-0.0000 ( 6087 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7858 -24.7858 -24.7396 -24.7396 -8.6161 -8.6161 -8.3919 -8.3919 -8.3539 -8.3539 -8.2367 -8.2367 -8.1333 -8.1333 -8.1128 -8.1128 -7.8987 -7.8987 0.1713 0.1713 0.4808 0.4808 2.7412 2.7412 2.7594 2.7594 3.2347 3.2347 3.3655 3.3655 3.7336 3.7336 3.9089 3.9089 4.2034 4.2034 9.3720 9.3720 9.7141 9.7141 10.4301 10.4301 10.4731 10.4731 k = 0.0278 0.0160-0.0000 ( 6087 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7858 -24.7858 -24.7397 -24.7397 -8.6161 -8.6161 -8.3942 -8.3942 -8.3527 -8.3527 -8.2367 -8.2367 -8.1345 -8.1345 -8.1150 -8.1150 -7.8944 -7.8944 0.1716 0.1716 0.4815 0.4815 2.7390 2.7390 2.7581 2.7581 3.2353 3.2353 3.3654 3.3654 3.7401 3.7401 3.9090 3.9090 4.2036 4.2036 9.3581 9.3581 9.6977 9.6977 10.4393 10.4393 10.4897 10.4897 k = 0.0417 0.0241-0.0000 ( 6093 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7856 -24.7856 -24.7398 -24.7398 -8.6162 -8.6162 -8.3978 -8.3978 -8.3509 -8.3509 -8.2367 -8.2367 -8.1368 -8.1368 -8.1179 -8.1179 -7.8876 -7.8876 0.1721 0.1721 0.4828 0.4828 2.7345 2.7345 2.7570 2.7570 3.2360 3.2360 3.3654 3.3654 3.7507 3.7507 3.9092 3.9092 4.2038 4.2038 9.3352 9.3352 9.6725 9.6725 10.4484 10.4484 10.5215 10.5215 k = 0.0556 0.0321-0.0000 ( 6101 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7855 -24.7855 -24.7399 -24.7399 -8.6162 -8.6162 -8.4024 -8.4024 -8.3488 -8.3488 -8.2367 -8.2367 -8.1409 -8.1409 -8.1206 -8.1206 -7.8786 -7.8786 0.1728 0.1728 0.4846 0.4846 2.7272 2.7272 2.7567 2.7567 3.2370 3.2370 3.3653 3.3653 3.7653 3.7653 3.9095 3.9095 4.2042 4.2042 9.3040 9.3040 9.6407 9.6407 10.4567 10.4567 10.5666 10.5666 k = 0.0694 0.0401-0.0000 ( 6101 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7853 -24.7853 -24.7401 -24.7401 -8.6163 -8.6163 -8.4078 -8.4078 -8.3466 -8.3466 -8.2368 -8.2368 -8.1466 -8.1466 -8.1225 -8.1225 -7.8681 -7.8681 0.1737 0.1737 0.4868 0.4868 2.7174 2.7174 2.7573 2.7573 3.2381 3.2381 3.3652 3.3652 3.7835 3.7835 3.9098 3.9098 4.2047 4.2047 9.2651 9.2651 9.6045 9.6045 10.4655 10.4655 10.6214 10.6214 k = 0.0833 0.0481-0.0000 ( 6105 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7850 -24.7850 -24.7403 -24.7403 -8.6165 -8.6165 -8.4139 -8.4139 -8.3444 -8.3444 -8.2369 -8.2369 -8.1536 -8.1536 -8.1238 -8.1238 -7.8563 -7.8563 0.1748 0.1748 0.4896 0.4896 2.7056 2.7056 2.7585 2.7585 3.2393 3.2393 3.3651 3.3651 3.8052 3.8052 3.9103 3.9103 4.2053 4.2053 9.2192 9.2192 9.5654 9.5654 10.4753 10.4753 10.6826 10.6826 k = 0.0972 0.0561-0.0000 ( 6101 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7848 -24.7848 -24.7405 -24.7405 -8.6167 -8.6167 -8.4206 -8.4206 -8.3423 -8.3423 -8.2372 -8.2372 -8.1611 -8.1611 -8.1246 -8.1246 -7.8436 -7.8436 0.1761 0.1761 0.4927 0.4927 2.6923 2.6923 2.7603 2.7603 3.2405 3.2405 3.3651 3.3651 3.8298 3.8298 3.9110 3.9110 4.2060 4.2060 9.1674 9.1674 9.5249 9.5249 10.4865 10.4865 10.7056 10.7056 k = 0.1111 0.0642-0.0000 ( 6089 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7844 -24.7844 -24.7407 -24.7407 -8.6171 -8.6171 -8.4278 -8.4278 -8.3403 -8.3403 -8.2376 -8.2376 -8.1687 -8.1687 -8.1252 -8.1252 -7.8304 -7.8304 0.1775 0.1775 0.4963 0.4963 2.6780 2.6780 2.7625 2.7625 3.2416 3.2416 3.3650 3.3650 3.8568 3.8568 3.9121 3.9121 4.2069 4.2069 9.1105 9.1105 9.4840 9.4840 10.4990 10.4990 10.6642 10.6642 k = 0.1250 0.0722-0.0000 ( 6089 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7841 -24.7841 -24.7410 -24.7410 -8.6177 -8.6177 -8.4354 -8.4354 -8.3384 -8.3384 -8.2383 -8.2383 -8.1759 -8.1759 -8.1256 -8.1256 -7.8168 -7.8168 0.1791 0.1791 0.5003 0.5003 2.6629 2.6629 2.7651 2.7651 3.2426 3.2426 3.3650 3.3650 3.8844 3.8844 3.9149 3.9149 4.2079 4.2079 9.0494 9.0494 9.4432 9.4432 10.5129 10.5129 10.6202 10.6202 k = 0.1389 0.0802-0.0000 ( 6089 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7837 -24.7837 -24.7414 -24.7414 -8.6185 -8.6185 -8.4432 -8.4432 -8.3367 -8.3367 -8.2392 -8.2392 -8.1824 -8.1824 -8.1260 -8.1260 -7.8030 -7.8030 0.1808 0.1808 0.5047 0.5047 2.6474 2.6474 2.7679 2.7679 3.2434 3.2434 3.3650 3.3650 3.9032 3.9032 3.9286 3.9286 4.2091 4.2091 8.9848 8.9848 9.4031 9.4031 10.5271 10.5271 10.5760 10.5760 k = 0.1528 0.0882-0.0000 ( 6091 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7832 -24.7832 -24.7417 -24.7417 -8.6196 -8.6196 -8.4512 -8.4512 -8.3352 -8.3352 -8.2406 -8.2406 -8.1881 -8.1881 -8.1263 -8.1263 -7.7892 -7.7892 0.1827 0.1827 0.5094 0.5094 2.6318 2.6318 2.7710 2.7710 3.2440 3.2440 3.3650 3.3650 3.9076 3.9076 3.9583 3.9583 4.2106 4.2106 8.9177 8.9177 9.3641 9.3641 10.5224 10.5224 10.5517 10.5517 k = 0.1667 0.0962-0.0000 ( 6094 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7827 -24.7827 -24.7421 -24.7421 -8.6211 -8.6211 -8.4593 -8.4593 -8.3339 -8.3339 -8.2424 -8.2424 -8.1927 -8.1927 -8.1265 -8.1265 -7.7755 -7.7755 0.1847 0.1847 0.5143 0.5143 2.6162 2.6162 2.7744 2.7744 3.2444 3.2444 3.3650 3.3650 3.9088 3.9088 3.9924 3.9924 4.2124 4.2124 8.8486 8.8486 9.3263 9.3263 10.4798 10.4798 10.5669 10.5669 k = 0.1806 0.1042-0.0000 ( 6094 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7822 -24.7822 -24.7425 -24.7425 -8.6230 -8.6230 -8.4672 -8.4672 -8.3327 -8.3327 -8.2448 -8.2448 -8.1962 -8.1962 -8.1268 -8.1268 -7.7620 -7.7620 0.1868 0.1868 0.5196 0.5196 2.6008 2.6008 2.7779 2.7779 3.2447 3.2447 3.3651 3.3651 3.9093 3.9093 4.0281 4.0281 4.2147 4.2147 8.7784 8.7784 9.2899 9.2899 10.4347 10.4347 10.5863 10.5863 k = 0.1944 0.1123-0.0000 ( 6094 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7817 -24.7817 -24.7430 -24.7430 -8.6255 -8.6255 -8.4749 -8.4749 -8.3317 -8.3317 -8.2476 -8.2476 -8.1987 -8.1987 -8.1270 -8.1270 -7.7488 -7.7488 0.1889 0.1889 0.5251 0.5251 2.5859 2.5859 2.7816 2.7816 3.2448 3.2448 3.3653 3.3653 3.9094 3.9094 4.0644 4.0644 4.2177 4.2177 8.7075 8.7075 9.2550 9.2550 10.3900 10.3900 10.6073 10.6073 k = 0.2083 0.1203-0.0000 ( 6098 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7811 -24.7811 -24.7434 -24.7434 -8.6285 -8.6285 -8.4821 -8.4821 -8.3309 -8.3309 -8.2506 -8.2506 -8.2002 -8.2002 -8.1272 -8.1272 -7.7359 -7.7359 0.1912 0.1912 0.5307 0.5307 2.5715 2.5715 2.7855 2.7855 3.2448 3.2448 3.3655 3.3655 3.9093 3.9093 4.1002 4.1002 4.2221 4.2221 8.6364 8.6364 9.2217 9.2217 10.3463 10.3463 10.6297 10.6297 k = 0.2222 0.1283-0.0000 ( 6086 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7805 -24.7805 -24.7439 -24.7439 -8.6321 -8.6321 -8.4888 -8.4888 -8.3303 -8.3303 -8.2539 -8.2539 -8.2009 -8.2009 -8.1274 -8.1274 -7.7235 -7.7235 0.1935 0.1935 0.5365 0.5365 2.5578 2.5578 2.7895 2.7895 3.2446 3.2446 3.3658 3.3658 3.9091 3.9091 4.1338 4.1338 4.2294 4.2294 8.5657 8.5657 9.1900 9.1900 10.3037 10.3037 10.6533 10.6533 k = 0.2361 0.1363-0.0000 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7799 -24.7799 -24.7444 -24.7444 -8.6364 -8.6364 -8.4949 -8.4949 -8.3297 -8.3297 -8.2573 -8.2573 -8.2010 -8.2010 -8.1277 -8.1277 -7.7115 -7.7115 0.1958 0.1958 0.5424 0.5424 2.5447 2.5447 2.7935 2.7935 3.2442 3.2442 3.3661 3.3661 3.9086 3.9086 4.1622 4.1622 4.2422 4.2422 8.4957 8.4957 9.1598 9.1598 10.2624 10.2624 10.6780 10.6780 k = 0.2500 0.1443-0.0000 ( 6082 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7792 -24.7792 -24.7450 -24.7450 -8.6413 -8.6413 -8.5002 -8.5002 -8.3293 -8.3293 -8.2606 -8.2606 -8.2006 -8.2006 -8.1279 -8.1279 -7.7001 -7.7001 0.1981 0.1981 0.5483 0.5483 2.5325 2.5325 2.7976 2.7976 3.2437 3.2437 3.3665 3.3665 3.9080 3.9080 4.1820 4.1820 4.2639 4.2639 8.4268 8.4268 9.1313 9.1313 10.2226 10.2226 10.7036 10.7036 k = 0.2639 0.1524-0.0000 ( 6086 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7785 -24.7785 -24.7456 -24.7456 -8.6468 -8.6468 -8.5048 -8.5048 -8.3290 -8.3290 -8.2638 -8.2638 -8.1998 -8.1998 -8.1281 -8.1281 -7.6891 -7.6891 0.2005 0.2005 0.5542 0.5542 2.5211 2.5211 2.8017 2.8017 3.2431 3.2431 3.3669 3.3669 3.9072 3.9072 4.1934 4.1934 4.2938 4.2938 8.3593 8.3593 9.1042 9.1042 10.1845 10.1845 10.7298 10.7298 k = 0.2778 0.1604-0.0000 ( 6094 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7778 -24.7778 -24.7461 -24.7461 -8.6528 -8.6528 -8.5086 -8.5086 -8.3288 -8.3288 -8.2668 -8.2668 -8.1987 -8.1987 -8.1284 -8.1284 -7.6788 -7.6788 0.2028 0.2028 0.5601 0.5601 2.5105 2.5105 2.8058 2.8058 3.2423 3.2423 3.3673 3.3673 3.9063 3.9063 4.2000 4.2000 4.3281 4.3281 8.2936 8.2936 9.0787 9.0787 10.1481 10.1481 10.7566 10.7566 k = 0.2917 0.1684-0.0000 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7771 -24.7771 -24.7467 -24.7467 -8.6592 -8.6592 -8.5117 -8.5117 -8.3286 -8.3286 -8.2697 -8.2697 -8.1975 -8.1975 -8.1286 -8.1286 -7.6690 -7.6690 0.2050 0.2050 0.5659 0.5659 2.5008 2.5008 2.8098 2.8098 3.2416 3.2416 3.3678 3.3678 3.9052 3.9052 4.2043 4.2043 4.3642 4.3642 8.2300 8.2300 9.0547 9.0547 10.1135 10.1135 10.7834 10.7834 k = 0.3056 0.1764-0.0000 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7764 -24.7764 -24.7474 -24.7474 -8.6659 -8.6659 -8.5142 -8.5142 -8.3285 -8.3285 -8.2725 -8.2725 -8.1961 -8.1961 -8.1289 -8.1289 -7.6598 -7.6598 0.2072 0.2072 0.5715 0.5715 2.4919 2.4919 2.8137 2.8137 3.2407 3.2407 3.3683 3.3683 3.9040 3.9040 4.2074 4.2074 4.4006 4.4006 8.1687 8.1687 9.0322 9.0322 10.0808 10.0808 10.8093 10.8093 k = 0.3194 0.1844-0.0000 ( 6098 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7757 -24.7757 -24.7480 -24.7480 -8.6727 -8.6727 -8.5162 -8.5162 -8.3284 -8.3284 -8.2751 -8.2751 -8.1946 -8.1946 -8.1291 -8.1291 -7.6513 -7.6513 0.2093 0.2093 0.5770 0.5770 2.4839 2.4839 2.8176 2.8176 3.2398 3.2398 3.3689 3.3689 3.9026 3.9026 4.2099 4.2099 4.4365 4.4365 8.1100 8.1100 9.0111 9.0111 10.0501 10.0501 10.8295 10.8295 k = 0.3333 0.1925-0.0000 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7750 -24.7750 -24.7486 -24.7486 -8.6795 -8.6795 -8.5176 -8.5176 -8.3283 -8.3283 -8.2775 -8.2775 -8.1931 -8.1931 -8.1294 -8.1294 -7.6433 -7.6433 0.2114 0.2114 0.5822 0.5822 2.4767 2.4767 2.8213 2.8213 3.2389 3.2389 3.3694 3.3694 3.9011 3.9011 4.2119 4.2119 4.4715 4.4715 8.0541 8.0541 8.9915 8.9915 10.0214 10.0214 10.8235 10.8235 k = 0.3472 0.2005-0.0000 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7742 -24.7742 -24.7492 -24.7492 -8.6862 -8.6862 -8.5188 -8.5188 -8.3283 -8.3283 -8.2797 -8.2797 -8.1915 -8.1915 -8.1296 -8.1296 -7.6360 -7.6360 0.2133 0.2133 0.5872 0.5872 2.4703 2.4703 2.8248 2.8248 3.2380 3.2380 3.3699 3.3699 3.8996 3.8996 4.2137 4.2137 4.5052 4.5052 8.0014 8.0014 8.9734 8.9734 9.9948 9.9948 10.7993 10.7993 k = 0.3611 0.2085-0.0000 ( 6118 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7735 -24.7735 -24.7499 -24.7499 -8.6926 -8.6926 -8.5196 -8.5196 -8.3282 -8.3282 -8.2818 -8.2818 -8.1899 -8.1899 -8.1299 -8.1299 -7.6293 -7.6293 0.2151 0.2151 0.5919 0.5919 2.4647 2.4647 2.8281 2.8281 3.2371 3.2371 3.3704 3.3704 3.8981 3.8981 4.2153 4.2153 4.5372 4.5372 7.9521 7.9521 8.9567 8.9567 9.9704 9.9704 10.7727 10.7727 k = 0.3750 0.2165-0.0000 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7728 -24.7728 -24.7505 -24.7505 -8.6987 -8.6987 -8.5201 -8.5201 -8.3281 -8.3281 -8.2837 -8.2837 -8.1884 -8.1884 -8.1301 -8.1301 -7.6233 -7.6233 0.2168 0.2168 0.5963 0.5963 2.4598 2.4598 2.8312 2.8312 3.2362 3.2362 3.3709 3.3709 3.8965 3.8965 4.2168 4.2168 4.5673 4.5673 7.9065 7.9065 8.9414 8.9414 9.9481 9.9481 10.7465 10.7465 k = 0.3889 0.2245-0.0000 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7721 -24.7721 -24.7511 -24.7511 -8.7043 -8.7043 -8.5205 -8.5205 -8.3280 -8.3280 -8.2854 -8.2854 -8.1870 -8.1870 -8.1304 -8.1304 -7.6179 -7.6179 0.2184 0.2184 0.6003 0.6003 2.4555 2.4555 2.8340 2.8340 3.2354 3.2354 3.3713 3.3713 3.8950 3.8950 4.2181 4.2181 4.5952 4.5952 7.8648 7.8648 8.9277 8.9277 9.9281 9.9281 10.7217 10.7217 k = 0.4028 0.2325-0.0000 ( 6122 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7715 -24.7715 -24.7517 -24.7517 -8.7094 -8.7094 -8.5207 -8.5207 -8.3278 -8.3278 -8.2870 -8.2870 -8.1857 -8.1857 -8.1306 -8.1306 -7.6132 -7.6132 0.2198 0.2198 0.6039 0.6039 2.4519 2.4519 2.8365 2.8365 3.2346 3.2346 3.3717 3.3717 3.8936 3.8936 4.2192 4.2192 4.6205 4.6205 7.8272 7.8272 8.9154 8.9154 9.9104 9.9104 10.6988 10.6988 k = 0.4167 0.2406-0.0000 ( 6130 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7709 -24.7709 -24.7522 -24.7522 -8.7140 -8.7140 -8.5208 -8.5208 -8.3277 -8.3277 -8.2884 -8.2884 -8.1845 -8.1845 -8.1308 -8.1308 -7.6090 -7.6090 0.2210 0.2210 0.6070 0.6070 2.4489 2.4489 2.8388 2.8388 3.2339 3.2339 3.3721 3.3721 3.8923 3.8923 4.2202 4.2202 4.6430 4.6430 7.7941 7.7941 8.9048 8.9048 9.8950 9.8950 10.6783 10.6783 k = 0.4306 0.2486-0.0000 ( 6128 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7703 -24.7703 -24.7527 -24.7527 -8.7180 -8.7180 -8.5209 -8.5209 -8.3276 -8.3276 -8.2896 -8.2896 -8.1834 -8.1834 -8.1310 -8.1310 -7.6056 -7.6056 0.2220 0.2220 0.6097 0.6097 2.4464 2.4464 2.8408 2.8408 3.2333 3.2333 3.3724 3.3724 3.8911 3.8911 4.2211 4.2211 4.6626 4.6626 7.7656 7.7656 8.8956 8.8956 9.8819 9.8819 10.6605 10.6605 k = 0.4444 0.2566-0.0000 ( 6122 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7698 -24.7698 -24.7532 -24.7532 -8.7213 -8.7213 -8.5209 -8.5209 -8.3274 -8.3274 -8.2907 -8.2907 -8.1825 -8.1825 -8.1312 -8.1312 -7.6027 -7.6027 0.2229 0.2229 0.6120 0.6120 2.4444 2.4444 2.8424 2.8424 3.2328 3.2328 3.3727 3.3727 3.8901 3.8901 4.2218 4.2218 4.6789 4.6789 7.7420 7.7420 8.8881 8.8881 9.8711 9.8711 10.6457 10.6457 k = 0.4583 0.2646-0.0000 ( 6124 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7694 -24.7694 -24.7535 -24.7535 -8.7239 -8.7239 -8.5209 -8.5209 -8.3273 -8.3273 -8.2915 -8.2915 -8.1818 -8.1818 -8.1313 -8.1313 -7.6005 -7.6005 0.2236 0.2236 0.6138 0.6138 2.4429 2.4429 2.8436 2.8436 3.2324 3.2324 3.3729 3.3729 3.8893 3.8893 4.2224 4.2224 4.6918 4.6918 7.7234 7.7234 8.8823 8.8823 9.8627 9.8627 10.6341 10.6341 k = 0.4722 0.2726-0.0000 ( 6128 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7691 -24.7691 -24.7538 -24.7538 -8.7257 -8.7257 -8.5208 -8.5208 -8.3272 -8.3272 -8.2920 -8.2920 -8.1813 -8.1813 -8.1314 -8.1314 -7.5989 -7.5989 0.2241 0.2241 0.6150 0.6150 2.4419 2.4419 2.8446 2.8446 3.2321 3.2321 3.3731 3.3731 3.8887 3.8887 4.2227 4.2227 4.7011 4.7011 7.7100 7.7100 8.8780 8.8780 9.8567 9.8567 10.6257 10.6257 k = 0.4861 0.2807-0.0000 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7690 -24.7690 -24.7540 -24.7540 -8.7269 -8.7269 -8.5208 -8.5208 -8.3271 -8.3271 -8.2924 -8.2924 -8.1810 -8.1810 -8.1315 -8.1315 -7.5980 -7.5980 0.2244 0.2244 0.6158 0.6158 2.4413 2.4413 2.8451 2.8451 3.2320 3.2320 3.3732 3.3732 3.8883 3.8883 4.2230 4.2230 4.7068 4.7068 7.7020 7.7020 8.8755 8.8755 9.8531 9.8531 10.6206 10.6206 k = 0.5000 0.2887-0.0000 ( 6140 PWs) bands (ev): -77.8821 -77.8821 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7689 -24.7689 -24.7540 -24.7540 -8.7272 -8.7272 -8.5208 -8.5208 -8.3271 -8.3271 -8.2925 -8.2925 -8.1809 -8.1809 -8.1315 -8.1315 -7.5977 -7.5977 0.2244 0.2244 0.6161 0.6161 2.4411 2.4411 2.8453 2.8453 3.2319 3.2319 3.3731 3.3731 3.8881 3.8881 4.2230 4.2230 4.7086 4.7086 7.6992 7.6992 8.8747 8.8747 9.8519 9.8519 10.6189 10.6189 k = 0.5000 0.2887-0.0000 ( 6140 PWs) bands (ev): -77.8821 -77.8821 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7689 -24.7689 -24.7540 -24.7540 -8.7272 -8.7272 -8.5208 -8.5208 -8.3271 -8.3271 -8.2925 -8.2925 -8.1809 -8.1809 -8.1315 -8.1315 -7.5977 -7.5977 0.2244 0.2244 0.6161 0.6161 2.4411 2.4411 2.8453 2.8453 3.2319 3.2319 3.3731 3.3731 3.8881 3.8881 4.2230 4.2230 4.7086 4.7086 7.6992 7.6992 8.8747 8.8747 9.8519 9.8519 10.6189 10.6189 k = 0.4921 0.3024-0.0000 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7689 -24.7689 -24.7540 -24.7540 -8.7275 -8.7275 -8.5207 -8.5207 -8.3279 -8.3279 -8.2917 -8.2917 -8.1809 -8.1809 -8.1316 -8.1316 -7.5976 -7.5976 0.2245 0.2245 0.6162 0.6162 2.4416 2.4416 2.8445 2.8445 3.2321 3.2321 3.3732 3.3732 3.8884 3.8884 4.2231 4.2231 4.7089 4.7089 7.7000 7.7000 8.8715 8.8715 9.8527 9.8527 10.6211 10.6211 k = 0.4841 0.3162-0.0000 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7688 -24.7688 -24.7541 -24.7541 -8.7281 -8.7281 -8.5202 -8.5202 -8.3299 -8.3299 -8.2894 -8.2894 -8.1811 -8.1811 -8.1317 -8.1317 -7.5975 -7.5975 0.2246 0.2246 0.6165 0.6165 2.4431 2.4431 2.8423 2.8423 3.2325 3.2325 3.3731 3.3731 3.8891 3.8891 4.2230 4.2230 4.7098 4.7098 7.7024 7.7024 8.8619 8.8619 9.8551 9.8551 10.6277 10.6277 k = 0.4762 0.3299-0.0000 ( 6116 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7687 -24.7687 -24.7542 -24.7542 -8.7292 -8.7292 -8.5194 -8.5194 -8.3329 -8.3329 -8.2862 -8.2862 -8.1813 -8.1813 -8.1318 -8.1318 -7.5972 -7.5972 0.2247 0.2247 0.6170 0.6170 2.4456 2.4456 2.8386 2.8386 3.2332 3.2332 3.3729 3.3729 3.8902 3.8902 4.2229 4.2229 4.7113 4.7113 7.7064 7.7064 8.8461 8.8461 9.8592 9.8592 10.6381 10.6381 k = 0.4683 0.3437-0.0000 ( 6116 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7686 -24.7686 -24.7543 -24.7543 -8.7307 -8.7307 -8.5184 -8.5184 -8.3364 -8.3364 -8.2822 -8.2822 -8.1816 -8.1816 -8.1321 -8.1321 -7.5969 -7.5969 0.2248 0.2248 0.6177 0.6177 2.4491 2.4491 2.8335 2.8335 3.2341 3.2341 3.3727 3.3727 3.8917 3.8917 4.2228 4.2228 4.7134 4.7134 7.7120 7.7120 8.8245 8.8245 9.8653 9.8653 10.6519 10.6519 k = 0.4603 0.3574-0.0000 ( 6116 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7684 -24.7684 -24.7545 -24.7545 -8.7325 -8.7325 -8.5171 -8.5171 -8.3402 -8.3402 -8.2779 -8.2779 -8.1820 -8.1820 -8.1324 -8.1324 -7.5964 -7.5964 0.2250 0.2250 0.6186 0.6186 2.4536 2.4536 2.8271 2.8271 3.2353 3.2353 3.3724 3.3724 3.8936 3.8936 4.2226 4.2226 4.7160 4.7160 7.7193 7.7193 8.7975 8.7975 9.8734 9.8734 10.6681 10.6681 k = 0.4524 0.3712-0.0000 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7682 -24.7682 -24.7546 -24.7546 -8.7346 -8.7346 -8.5155 -8.5155 -8.3441 -8.3441 -8.2733 -8.2733 -8.1825 -8.1825 -8.1327 -8.1327 -7.5959 -7.5959 0.2253 0.2253 0.6197 0.6197 2.4590 2.4590 2.8194 2.8194 3.2366 3.2366 3.3720 3.3720 3.8958 3.8958 4.2224 4.2224 4.7191 4.7191 7.7282 7.7282 8.7654 8.7654 9.8837 9.8837 10.6857 10.6857 k = 0.4444 0.3849-0.0000 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7680 -24.7680 -24.7549 -24.7549 -8.7370 -8.7370 -8.5138 -8.5138 -8.3480 -8.3480 -8.2687 -8.2687 -8.1831 -8.1831 -8.1331 -8.1331 -7.5953 -7.5953 0.2255 0.2255 0.6209 0.6209 2.4654 2.4654 2.8106 2.8106 3.2382 3.2382 3.3715 3.3715 3.8982 3.8982 4.2222 4.2222 4.7227 4.7227 7.7388 7.7388 8.7290 8.7290 9.8965 9.8965 10.7032 10.7032 k = 0.4365 0.3986-0.0000 ( 6106 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7677 -24.7677 -24.7551 -24.7551 -8.7396 -8.7396 -8.5120 -8.5120 -8.3519 -8.3519 -8.2640 -8.2640 -8.1838 -8.1838 -8.1334 -8.1334 -7.5946 -7.5946 0.2259 0.2259 0.6222 0.6222 2.4727 2.4727 2.8007 2.8007 3.2398 3.2398 3.3711 3.3711 3.9008 3.9008 4.2220 4.2220 4.7267 4.7267 7.7511 7.7511 8.6887 8.6887 9.9118 9.9118 10.7190 10.7190 k = 0.4286 0.4124-0.0000 ( 6106 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7674 -24.7674 -24.7554 -24.7554 -8.7424 -8.7424 -8.5101 -8.5101 -8.3556 -8.3556 -8.2593 -8.2593 -8.1846 -8.1846 -8.1338 -8.1338 -7.5939 -7.5939 0.2262 0.2262 0.6236 0.6236 2.4808 2.4808 2.7898 2.7898 3.2416 3.2416 3.3706 3.3706 3.9035 3.9035 4.2217 4.2217 4.7312 4.7312 7.7652 7.7652 8.6453 8.6453 9.9296 9.9296 10.7309 10.7309 k = 0.4206 0.4261-0.0000 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7670 -24.7670 -24.7558 -24.7558 -8.7452 -8.7452 -8.5081 -8.5081 -8.3591 -8.3591 -8.2548 -8.2548 -8.1855 -8.1855 -8.1342 -8.1342 -7.5931 -7.5931 0.2265 0.2265 0.6251 0.6251 2.4898 2.4898 2.7781 2.7781 3.2434 3.2434 3.3700 3.3700 3.9062 3.9062 4.2215 4.2215 4.7359 4.7359 7.7811 7.7811 8.5993 8.5993 9.9500 9.9500 10.7370 10.7370 k = 0.4127 0.4399-0.0000 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7667 -24.7667 -24.7561 -24.7561 -8.7480 -8.7480 -8.5061 -8.5061 -8.3625 -8.3625 -8.2504 -8.2504 -8.1865 -8.1865 -8.1346 -8.1346 -7.5923 -7.5923 0.2269 0.2269 0.6266 0.6266 2.4995 2.4995 2.7657 2.7657 3.2451 3.2451 3.3694 3.3694 3.9089 3.9089 4.2213 4.2213 4.7409 4.7409 7.7988 7.7988 8.5513 8.5513 9.9729 9.9729 10.7346 10.7346 k = 0.4048 0.4536-0.0000 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7662 -24.7662 -24.7565 -24.7565 -8.7508 -8.7508 -8.5042 -8.5042 -8.3656 -8.3656 -8.2462 -8.2462 -8.1876 -8.1876 -8.1350 -8.1350 -7.5915 -7.5915 0.2273 0.2273 0.6282 0.6282 2.5099 2.5099 2.7527 2.7527 3.2469 3.2469 3.3688 3.3688 3.9115 3.9115 4.2210 4.2210 4.7460 4.7460 7.8184 7.8184 8.5019 8.5019 9.9983 9.9983 10.7151 10.7151 k = 0.3968 0.4674-0.0000 ( 6094 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7658 -24.7658 -24.7569 -24.7569 -8.7535 -8.7535 -8.5023 -8.5023 -8.3685 -8.3685 -8.2422 -8.2422 -8.1888 -8.1888 -8.1354 -8.1354 -7.5907 -7.5907 0.2276 0.2276 0.6297 0.6297 2.5210 2.5210 2.7392 2.7392 3.2485 3.2485 3.3682 3.3682 3.9139 3.9139 4.2208 4.2208 4.7512 4.7512 7.8399 7.8399 8.4518 8.4518 10.0261 10.0261 10.6764 10.6764 k = 0.3889 0.4811-0.0000 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7653 -24.7653 -24.7574 -24.7574 -8.7560 -8.7560 -8.5006 -8.5006 -8.3711 -8.3711 -8.2384 -8.2384 -8.1900 -8.1900 -8.1357 -8.1357 -7.5898 -7.5898 0.2280 0.2280 0.6311 0.6311 2.5327 2.5327 2.7253 2.7253 3.2501 3.2501 3.3677 3.3677 3.9161 3.9161 4.2206 4.2206 4.7563 4.7563 7.8633 7.8633 8.4013 8.4013 10.0560 10.0560 10.6314 10.6314 k = 0.3810 0.4949-0.0000 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7648 -24.7648 -24.7578 -24.7578 -8.7584 -8.7584 -8.4990 -8.4990 -8.3734 -8.3734 -8.2350 -8.2350 -8.1912 -8.1912 -8.1359 -8.1359 -7.5891 -7.5891 0.2283 0.2283 0.6324 0.6324 2.5449 2.5449 2.7111 2.7111 3.2515 3.2515 3.3671 3.3671 3.9181 3.9181 4.2204 4.2204 4.7613 4.7613 7.8887 7.8887 8.3512 8.3512 10.0880 10.0880 10.5849 10.5849 k = 0.3730 0.5086-0.0000 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7643 -24.7643 -24.7584 -24.7584 -8.7605 -8.7605 -8.4976 -8.4976 -8.3754 -8.3754 -8.2320 -8.2320 -8.1924 -8.1924 -8.1362 -8.1362 -7.5883 -7.5883 0.2286 0.2286 0.6336 0.6336 2.5576 2.5576 2.6967 2.6967 3.2527 3.2527 3.3666 3.3666 3.9198 3.9198 4.2203 4.2203 4.7659 4.7659 7.9159 7.9159 8.3017 8.3017 10.1219 10.1219 10.5383 10.5383 k = 0.3651 0.5224-0.0000 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7637 -24.7637 -24.7589 -24.7589 -8.7623 -8.7623 -8.4964 -8.4964 -8.3770 -8.3770 -8.2293 -8.2293 -8.1935 -8.1935 -8.1364 -8.1364 -7.5877 -7.5877 0.2288 0.2288 0.6347 0.6347 2.5706 2.5706 2.6823 2.6823 3.2537 3.2537 3.3662 3.3662 3.9212 3.9212 4.2202 4.2202 4.7700 4.7700 7.9451 7.9451 8.2535 8.2535 10.1572 10.1572 10.4924 10.4924 k = 0.3571 0.5361-0.0000 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7632 -24.7632 -24.7595 -24.7595 -8.7638 -8.7638 -8.4954 -8.4954 -8.3783 -8.3783 -8.2272 -8.2272 -8.1944 -8.1944 -8.1365 -8.1365 -7.5871 -7.5871 0.2291 0.2291 0.6355 0.6355 2.5839 2.5839 2.6679 2.6679 3.2545 3.2545 3.3659 3.3659 3.9222 3.9222 4.2201 4.2201 4.7735 4.7735 7.9762 7.9762 8.2070 8.2070 10.1936 10.1936 10.4479 10.4479 k = 0.3492 0.5499-0.0000 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7626 -24.7626 -24.7600 -24.7600 -8.7648 -8.7648 -8.4947 -8.4947 -8.3792 -8.3792 -8.2257 -8.2257 -8.1951 -8.1951 -8.1366 -8.1366 -7.5867 -7.5867 0.2292 0.2292 0.6362 0.6362 2.5973 2.5973 2.6537 2.6537 3.2551 3.2551 3.3657 3.3657 3.9230 3.9230 4.2200 4.2200 4.7763 4.7763 8.0091 8.0091 8.1627 8.1627 10.2302 10.2302 10.4056 10.4056 k = 0.3413 0.5636-0.0000 ( 6088 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7619 -24.7619 -24.7607 -24.7607 -8.7655 -8.7655 -8.4943 -8.4943 -8.3798 -8.3798 -8.2247 -8.2247 -8.1956 -8.1956 -8.1367 -8.1367 -7.5864 -7.5864 0.2294 0.2294 0.6366 0.6366 2.6105 2.6105 2.6401 2.6401 3.2554 3.2554 3.3656 3.3656 3.9234 3.9234 4.2201 4.2201 4.7780 4.7780 8.0435 8.0435 8.1212 8.1212 10.2645 10.2645 10.3681 10.3681 k = 0.3333 0.5774-0.0000 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7613 -24.7613 -24.7613 -24.7613 -8.7658 -8.7658 -8.4942 -8.4942 -8.3800 -8.3800 -8.2244 -8.2244 -8.1957 -8.1957 -8.1367 -8.1367 -7.5863 -7.5863 0.2294 0.2294 0.6367 0.6367 2.6199 2.6199 2.6306 2.6306 3.2555 3.2555 3.3655 3.3655 3.9235 3.9235 4.2200 4.2200 4.7787 4.7787 8.0726 8.0726 8.0896 8.0896 10.2832 10.2832 10.3483 10.3483 k = 0.3333 0.5774-0.0000 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7613 -24.7613 -24.7613 -24.7613 -8.7658 -8.7658 -8.4942 -8.4942 -8.3800 -8.3800 -8.2244 -8.2244 -8.1957 -8.1957 -8.1367 -8.1367 -7.5863 -7.5863 0.2294 0.2294 0.6367 0.6367 2.6199 2.6199 2.6306 2.6306 3.2555 3.2555 3.3655 3.3655 3.9235 3.9235 4.2200 4.2200 4.7787 4.7787 8.0726 8.0726 8.0896 8.0896 10.2832 10.2832 10.3483 10.3483 k = 0.3254 0.5636-0.0000 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7620 -24.7620 -24.7606 -24.7606 -8.7655 -8.7655 -8.4943 -8.4943 -8.3798 -8.3798 -8.2247 -8.2247 -8.1956 -8.1956 -8.1367 -8.1367 -7.5865 -7.5865 0.2294 0.2294 0.6366 0.6366 2.6107 2.6107 2.6399 2.6399 3.2554 3.2554 3.3655 3.3655 3.9234 3.9234 4.2200 4.2200 4.7780 4.7780 8.0443 8.0443 8.1205 8.1205 10.2652 10.2652 10.3672 10.3672 k = 0.3175 0.5499-0.0000 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7626 -24.7626 -24.7600 -24.7600 -8.7648 -8.7648 -8.4947 -8.4947 -8.3793 -8.3793 -8.2255 -8.2255 -8.1953 -8.1953 -8.1366 -8.1366 -7.5868 -7.5868 0.2292 0.2292 0.6361 0.6361 2.5981 2.5981 2.6529 2.6529 3.2551 3.2551 3.3657 3.3657 3.9231 3.9231 4.2200 4.2200 4.7758 4.7758 8.0125 8.0125 8.1600 8.1600 10.2339 10.2339 10.4011 10.4011 k = 0.3095 0.5361-0.0000 ( 6106 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7633 -24.7633 -24.7593 -24.7593 -8.7635 -8.7635 -8.4954 -8.4954 -8.3784 -8.3784 -8.2267 -8.2267 -8.1948 -8.1948 -8.1365 -8.1365 -7.5874 -7.5874 0.2290 0.2290 0.6353 0.6353 2.5857 2.5857 2.6660 2.6660 3.2546 3.2546 3.3658 3.3658 3.9225 3.9225 4.2200 4.2200 4.7719 4.7719 7.9843 7.9843 8.2013 8.2013 10.2020 10.2020 10.4368 10.4368 k = 0.3016 0.5224-0.0000 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7641 -24.7641 -24.7586 -24.7586 -8.7617 -8.7617 -8.4962 -8.4962 -8.3773 -8.3773 -8.2283 -8.2283 -8.1943 -8.1943 -8.1364 -8.1364 -7.5883 -7.5883 0.2287 0.2287 0.6342 0.6342 2.5738 2.5738 2.6788 2.6788 3.2540 3.2540 3.3661 3.3661 3.9217 3.9217 4.2199 4.2199 4.7662 4.7662 7.9602 7.9602 8.2440 8.2440 10.1718 10.1718 10.4715 10.4715 k = 0.2937 0.5086-0.0000 ( 6112 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7648 -24.7648 -24.7579 -24.7579 -8.7594 -8.7594 -8.4972 -8.4972 -8.3759 -8.3759 -8.2300 -8.2300 -8.1939 -8.1939 -8.1362 -8.1362 -7.5895 -7.5895 0.2282 0.2282 0.6328 0.6328 2.5626 2.5626 2.6912 2.6912 3.2532 3.2532 3.3663 3.3663 3.9208 3.9208 4.2197 4.2197 4.7585 4.7585 7.9405 7.9405 8.2880 8.2880 10.1442 10.1442 10.5040 10.5040 k = 0.2857 0.4949-0.0000 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7655 -24.7655 -24.7572 -24.7572 -8.7565 -8.7565 -8.4984 -8.4984 -8.3742 -8.3742 -8.2319 -8.2319 -8.1935 -8.1935 -8.1360 -8.1360 -7.5910 -7.5910 0.2277 0.2277 0.6310 0.6310 2.5521 2.5521 2.7032 2.7032 3.2523 3.2523 3.3666 3.3666 3.9199 3.9199 4.2196 4.2196 4.7488 4.7488 7.9254 7.9254 8.3330 8.3330 10.1194 10.1194 10.5338 10.5338 k = 0.2778 0.4811-0.0000 ( 6124 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7663 -24.7663 -24.7564 -24.7564 -8.7531 -8.7531 -8.4997 -8.4997 -8.3724 -8.3724 -8.2339 -8.2339 -8.1933 -8.1933 -8.1357 -8.1357 -7.5929 -7.5929 0.2270 0.2270 0.6288 0.6288 2.5423 2.5423 2.7145 2.7145 3.2514 3.2514 3.3669 3.3669 3.9189 3.9189 4.2193 4.2193 4.7368 4.7368 7.9152 7.9152 8.3788 8.3788 10.0978 10.0978 10.5608 10.5608 k = 0.2698 0.4674-0.0000 ( 6116 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7671 -24.7671 -24.7557 -24.7557 -8.7491 -8.7491 -8.5011 -8.5011 -8.3703 -8.3703 -8.2360 -8.2360 -8.1932 -8.1932 -8.1354 -8.1354 -7.5952 -7.5952 0.2262 0.2262 0.6262 0.6262 2.5335 2.5335 2.7252 2.7252 3.2505 3.2505 3.3672 3.3672 3.9180 3.9180 4.2190 4.2190 4.7225 4.7225 7.9099 7.9099 8.4251 8.4251 10.0796 10.0796 10.5851 10.5851 k = 0.2619 0.4536-0.0000 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7678 -24.7678 -24.7550 -24.7550 -8.7445 -8.7445 -8.5026 -8.5026 -8.3681 -8.3681 -8.2381 -8.2381 -8.1932 -8.1932 -8.1351 -8.1351 -7.5980 -7.5980 0.2253 0.2253 0.6234 0.6234 2.5255 2.5255 2.7351 2.7351 3.2495 3.2495 3.3674 3.3674 3.9170 3.9170 4.2186 4.2186 4.7060 4.7060 7.9098 7.9098 8.4718 8.4718 10.0649 10.0649 10.6073 10.6073 k = 0.2540 0.4399-0.0000 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7686 -24.7686 -24.7543 -24.7543 -8.7395 -8.7395 -8.5040 -8.5040 -8.3658 -8.3658 -8.2401 -8.2401 -8.1935 -8.1935 -8.1347 -8.1347 -7.6012 -7.6012 0.2242 0.2242 0.6201 0.6201 2.5186 2.5186 2.7443 2.7443 3.2486 3.2486 3.3677 3.3677 3.9161 3.9161 4.2181 4.2181 4.6871 4.6871 7.9147 7.9147 8.5186 8.5186 10.0539 10.0539 10.6279 10.6279 k = 0.2460 0.4261-0.0000 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7694 -24.7694 -24.7535 -24.7535 -8.7339 -8.7339 -8.5054 -8.5054 -8.3633 -8.3633 -8.2421 -8.2421 -8.1938 -8.1938 -8.1343 -8.1343 -7.6048 -7.6048 0.2230 0.2230 0.6165 0.6165 2.5126 2.5126 2.7527 2.7527 3.2478 3.2478 3.3679 3.3679 3.9153 3.9153 4.2175 4.2175 4.6659 4.6659 7.9248 7.9248 8.5652 8.5652 10.0467 10.0467 10.6473 10.6473 k = 0.2381 0.4124-0.0000 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7702 -24.7702 -24.7528 -24.7528 -8.7278 -8.7278 -8.5068 -8.5068 -8.3608 -8.3608 -8.2440 -8.2440 -8.1943 -8.1943 -8.1339 -8.1339 -7.6090 -7.6090 0.2217 0.2217 0.6126 0.6126 2.5078 2.5078 2.7601 2.7601 3.2470 3.2470 3.3680 3.3680 3.9146 3.9146 4.2168 4.2168 4.6425 4.6425 7.9399 7.9399 8.6114 8.6114 10.0434 10.0434 10.6659 10.6659 k = 0.2302 0.3986-0.0000 ( 6088 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7710 -24.7710 -24.7521 -24.7521 -8.7213 -8.7213 -8.5080 -8.5080 -8.3583 -8.3583 -8.2458 -8.2458 -8.1950 -8.1950 -8.1334 -8.1334 -7.6136 -7.6136 0.2203 0.2203 0.6084 0.6084 2.5040 2.5040 2.7667 2.7667 3.2464 3.2464 3.3681 3.3681 3.9141 3.9141 4.2160 4.2160 4.6169 4.6169 7.9601 7.9601 8.6570 8.6570 10.0439 10.0439 10.6835 10.6835 k = 0.2222 0.3849-0.0000 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7718 -24.7718 -24.7514 -24.7514 -8.7144 -8.7144 -8.5091 -8.5091 -8.3557 -8.3557 -8.2475 -8.2475 -8.1957 -8.1957 -8.1330 -8.1330 -7.6188 -7.6188 0.2187 0.2187 0.6038 0.6038 2.5014 2.5014 2.7725 2.7725 3.2458 3.2458 3.3681 3.3681 3.9135 3.9135 4.2150 4.2150 4.5893 4.5893 7.9852 7.9852 8.7018 8.7018 10.0483 10.0483 10.7000 10.7000 k = 0.2143 0.3712-0.0000 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7726 -24.7726 -24.7506 -24.7506 -8.7072 -8.7072 -8.5100 -8.5100 -8.3531 -8.3531 -8.2491 -8.2491 -8.1966 -8.1966 -8.1325 -8.1325 -7.6246 -7.6246 0.2169 0.2169 0.5990 0.5990 2.5000 2.5000 2.7773 2.7773 3.2453 3.2453 3.3680 3.3680 3.9131 3.9131 4.2138 4.2138 4.5597 4.5597 8.0150 8.0150 8.7456 8.7456 10.0566 10.0566 10.7146 10.7146 k = 0.2063 0.3574-0.0000 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7734 -24.7734 -24.7499 -24.7499 -8.6997 -8.6997 -8.5106 -8.5106 -8.3505 -8.3505 -8.2504 -8.2504 -8.1975 -8.1975 -8.1321 -8.1321 -7.6309 -7.6309 0.2151 0.2151 0.5939 0.5939 2.4998 2.4998 2.7812 2.7812 3.2450 3.2450 3.3679 3.3679 3.9128 3.9128 4.2126 4.2126 4.5285 4.5285 8.0494 8.0494 8.7883 8.7883 10.0685 10.0685 10.7265 10.7265 k = 0.1984 0.3437-0.0000 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7742 -24.7742 -24.7493 -24.7493 -8.6920 -8.6920 -8.5109 -8.5109 -8.3480 -8.3480 -8.2516 -8.2516 -8.1984 -8.1984 -8.1316 -8.1316 -7.6378 -7.6378 0.2132 0.2132 0.5886 0.5886 2.5009 2.5009 2.7843 2.7843 3.2447 3.2447 3.3678 3.3678 3.9126 3.9126 4.2112 4.2112 4.4957 4.4957 8.0882 8.0882 8.8300 8.8300 10.0839 10.0839 10.7343 10.7343 k = 0.1905 0.3299-0.0000 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7750 -24.7750 -24.7486 -24.7486 -8.6842 -8.6842 -8.5108 -8.5108 -8.3456 -8.3456 -8.2525 -8.2525 -8.1994 -8.1994 -8.1311 -8.1311 -7.6453 -7.6453 0.2111 0.2111 0.5831 0.5831 2.5032 2.5032 2.7866 2.7866 3.2446 3.2446 3.3676 3.3676 3.9125 3.9125 4.2095 4.2095 4.4616 4.4616 8.1312 8.1312 8.8705 8.8705 10.1026 10.1026 10.7370 10.7370 k = 0.1825 0.3162-0.0000 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7757 -24.7757 -24.7479 -24.7479 -8.6764 -8.6764 -8.5102 -8.5102 -8.3433 -8.3433 -8.2531 -8.2531 -8.2003 -8.2003 -8.1307 -8.1307 -7.6533 -7.6533 0.2090 0.2090 0.5774 0.5774 2.5067 2.5067 2.7881 2.7881 3.2446 3.2446 3.3673 3.3673 3.9124 3.9124 4.2075 4.2075 4.4265 4.4265 8.1781 8.1781 8.9099 8.9099 10.1244 10.1244 10.7344 10.7344 k = 0.1746 0.3024-0.0000 ( 6118 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7765 -24.7765 -24.7473 -24.7473 -8.6687 -8.6687 -8.5091 -8.5091 -8.3412 -8.3412 -8.2535 -8.2535 -8.2012 -8.2012 -8.1302 -8.1302 -7.6620 -7.6620 0.2069 0.2069 0.5716 0.5716 2.5115 2.5115 2.7889 2.7889 3.2446 3.2446 3.3671 3.3671 3.9123 3.9123 4.2051 4.2051 4.3908 4.3908 8.2286 8.2286 8.9484 8.9484 10.1489 10.1489 10.7270 10.7270 k = 0.1667 0.2887-0.0000 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7772 -24.7772 -24.7467 -24.7467 -8.6614 -8.6614 -8.5073 -8.5073 -8.3392 -8.3392 -8.2535 -8.2535 -8.2020 -8.2020 -8.1298 -8.1298 -7.6712 -7.6712 0.2046 0.2046 0.5657 0.5657 2.5175 2.5175 2.7890 2.7890 3.2447 3.2447 3.3668 3.3668 3.9123 3.9123 4.2019 4.2019 4.3548 4.3548 8.2825 8.2825 8.9861 8.9861 10.1760 10.1760 10.7158 10.7158 k = 0.1587 0.2749-0.0000 ( 6116 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7779 -24.7779 -24.7461 -24.7461 -8.6544 -8.6544 -8.5048 -8.5048 -8.3375 -8.3375 -8.2532 -8.2532 -8.2026 -8.2026 -8.1294 -8.1294 -7.6810 -7.6810 0.2023 0.2023 0.5597 0.5597 2.5248 2.5248 2.7886 2.7886 3.2448 3.2448 3.3665 3.3665 3.9122 3.9122 4.1974 4.1974 4.3195 4.3195 8.3395 8.3395 9.0232 9.0232 10.2054 10.2054 10.7016 10.7016 k = 0.1508 0.2612-0.0000 ( 6106 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7786 -24.7786 -24.7455 -24.7455 -8.6479 -8.6479 -8.5015 -8.5015 -8.3360 -8.3360 -8.2525 -8.2525 -8.2031 -8.2031 -8.1290 -8.1290 -7.6914 -7.6914 0.2000 0.2000 0.5537 0.5537 2.5332 2.5332 2.7876 2.7876 3.2450 3.2450 3.3663 3.3663 3.9122 3.9122 4.1901 4.1901 4.2864 4.2864 8.3992 8.3992 9.0600 9.0600 10.2368 10.2368 10.6854 10.6854 k = 0.1429 0.2474-0.0000 ( 6098 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7793 -24.7793 -24.7449 -24.7449 -8.6420 -8.6420 -8.4974 -8.4974 -8.3348 -8.3348 -8.2514 -8.2514 -8.2033 -8.2033 -8.1286 -8.1286 -7.7023 -7.7023 0.1977 0.1977 0.5477 0.5477 2.5428 2.5428 2.7861 2.7861 3.2452 3.2452 3.3660 3.3660 3.9122 3.9122 4.1775 4.1775 4.2585 4.2585 8.4613 8.4613 9.0966 9.0966 10.2700 10.2700 10.6679 10.6679 k = 0.1349 0.2337-0.0000 ( 6089 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7800 -24.7800 -24.7444 -24.7444 -8.6368 -8.6368 -8.4925 -8.4925 -8.3340 -8.3340 -8.2500 -8.2500 -8.2031 -8.2031 -8.1283 -8.1283 -7.7137 -7.7137 0.1954 0.1954 0.5417 0.5417 2.5535 2.5535 2.7843 2.7843 3.2454 3.2454 3.3658 3.3658 3.9121 3.9121 4.1562 4.1562 4.2390 4.2390 8.5255 8.5255 9.1332 9.1332 10.3050 10.3050 10.6495 10.6495 k = 0.1270 0.2199-0.0000 ( 6091 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7806 -24.7806 -24.7438 -24.7438 -8.6323 -8.6323 -8.4867 -8.4867 -8.3335 -8.3335 -8.2483 -8.2483 -8.2024 -8.2024 -8.1279 -8.1279 -7.7256 -7.7256 0.1931 0.1931 0.5358 0.5358 2.5651 2.5651 2.7822 2.7822 3.2454 3.2454 3.3655 3.3655 3.9119 3.9119 4.1270 4.1270 4.2277 4.2277 8.5913 8.5913 9.1701 9.1701 10.3414 10.3414 10.6308 10.6308 k = 0.1190 0.2062-0.0000 ( 6095 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7812 -24.7812 -24.7434 -24.7434 -8.6286 -8.6286 -8.4803 -8.4803 -8.3333 -8.3333 -8.2465 -8.2465 -8.2012 -8.2012 -8.1276 -8.1276 -7.7379 -7.7379 0.1908 0.1908 0.5300 0.5300 2.5777 2.5777 2.7798 2.7798 3.2454 3.2454 3.3653 3.3653 3.9117 3.9117 4.0933 4.0933 4.2212 4.2212 8.6583 8.6583 9.2074 9.2074 10.3792 10.3792 10.6121 10.6121 k = 0.1111 0.1925-0.0000 ( 6091 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7818 -24.7818 -24.7429 -24.7429 -8.6255 -8.6255 -8.4733 -8.4733 -8.3335 -8.3335 -8.2446 -8.2446 -8.1992 -8.1992 -8.1273 -8.1273 -7.7507 -7.7507 0.1886 0.1886 0.5244 0.5244 2.5911 2.5911 2.7773 2.7773 3.2453 3.2453 3.3652 3.3652 3.9113 3.9113 4.0579 4.0579 4.2171 4.2171 8.7261 8.7261 9.2452 9.2452 10.4181 10.4181 10.5937 10.5937 k = 0.1032 0.1787-0.0000 ( 6103 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7823 -24.7823 -24.7425 -24.7425 -8.6230 -8.6230 -8.4658 -8.4658 -8.3340 -8.3340 -8.2427 -8.2427 -8.1963 -8.1963 -8.1270 -8.1270 -7.7638 -7.7638 0.1865 0.1865 0.5190 0.5190 2.6052 2.6052 2.7746 2.7746 3.2450 3.2450 3.3650 3.3650 3.9108 3.9108 4.0221 4.0221 4.2142 4.2142 8.7941 8.7941 9.2837 9.2837 10.4581 10.4581 10.5758 10.5758 k = 0.0952 0.1650-0.0000 ( 6091 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7828 -24.7828 -24.7420 -24.7420 -8.6211 -8.6211 -8.4581 -8.4581 -8.3347 -8.3347 -8.2411 -8.2411 -8.1924 -8.1924 -8.1267 -8.1267 -7.7772 -7.7772 0.1845 0.1845 0.5138 0.5138 2.6198 2.6198 2.7719 2.7719 3.2446 3.2446 3.3650 3.3650 3.9102 3.9102 3.9869 3.9869 4.2121 4.2121 8.8618 8.8618 9.3230 9.3230 10.4984 10.4984 10.5591 10.5591 k = 0.0873 0.1512-0.0000 ( 6087 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7833 -24.7833 -24.7417 -24.7417 -8.6196 -8.6196 -8.4502 -8.4502 -8.3358 -8.3358 -8.2398 -8.2398 -8.1876 -8.1876 -8.1264 -8.1264 -7.7907 -7.7907 0.1825 0.1825 0.5088 0.5088 2.6347 2.6347 2.7692 2.7692 3.2441 3.2441 3.3649 3.3649 3.9089 3.9089 3.9532 3.9532 4.2104 4.2104 8.9286 8.9286 9.3629 9.3629 10.5320 10.5320 10.5506 10.5506 k = 0.0794 0.1375-0.0000 ( 6091 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7837 -24.7837 -24.7413 -24.7413 -8.6185 -8.6185 -8.4423 -8.4423 -8.3372 -8.3372 -8.2388 -8.2388 -8.1818 -8.1818 -8.1260 -8.1260 -7.8044 -7.8044 0.1807 0.1807 0.5042 0.5042 2.6498 2.6498 2.7666 2.7666 3.2433 3.2433 3.3649 3.3649 3.9040 3.9040 3.9245 3.9245 4.2090 4.2090 8.9937 8.9937 9.4035 9.4035 10.5240 10.5240 10.5848 10.5848 k = 0.0714 0.1237-0.0000 ( 6091 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7841 -24.7841 -24.7410 -24.7410 -8.6177 -8.6177 -8.4346 -8.4346 -8.3387 -8.3387 -8.2380 -8.2380 -8.1752 -8.1752 -8.1257 -8.1257 -7.8180 -7.8180 0.1790 0.1790 0.4999 0.4999 2.6649 2.6649 2.7642 2.7642 3.2425 3.2425 3.3650 3.3650 3.8826 3.8826 3.9138 3.9138 4.2078 4.2078 9.0565 9.0565 9.4447 9.4447 10.5102 10.5102 10.6253 10.6253 k = 0.0635 0.1100-0.0000 ( 6091 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7845 -24.7845 -24.7407 -24.7407 -8.6171 -8.6171 -8.4272 -8.4272 -8.3405 -8.3405 -8.2375 -8.2375 -8.1680 -8.1680 -8.1252 -8.1252 -7.8315 -7.8315 0.1774 0.1774 0.4960 0.4960 2.6796 2.6796 2.7619 2.7619 3.2415 3.2415 3.3650 3.3650 3.8547 3.8547 3.9118 3.9118 4.2068 4.2068 9.1161 9.1161 9.4860 9.4860 10.4972 10.4972 10.6643 10.6643 k = 0.0556 0.0962-0.0000 ( 6095 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7848 -24.7848 -24.7405 -24.7405 -8.6167 -8.6167 -8.4201 -8.4201 -8.3425 -8.3425 -8.2371 -8.2371 -8.1605 -8.1605 -8.1246 -8.1246 -7.8446 -7.8446 0.1760 0.1760 0.4925 0.4925 2.6935 2.6935 2.7599 2.7599 3.2404 3.2404 3.3651 3.3651 3.8280 3.8280 3.9109 3.9109 4.2059 4.2059 9.1718 9.1718 9.5272 9.5272 10.4852 10.4852 10.6948 10.6948 k = 0.0476 0.0825-0.0000 ( 6095 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7851 -24.7851 -24.7402 -24.7402 -8.6165 -8.6165 -8.4135 -8.4135 -8.3446 -8.3446 -8.2369 -8.2369 -8.1531 -8.1531 -8.1238 -8.1238 -7.8571 -7.8571 0.1747 0.1747 0.4894 0.4894 2.7065 2.7065 2.7583 2.7583 3.2393 3.2393 3.3651 3.3651 3.8038 3.8038 3.9103 3.9103 4.2052 4.2052 9.2224 9.2224 9.5676 9.5676 10.4745 10.4745 10.6741 10.6741 k = 0.0397 0.0687-0.0000 ( 6099 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7853 -24.7853 -24.7401 -24.7401 -8.6163 -8.6163 -8.4075 -8.4075 -8.3468 -8.3468 -8.2368 -8.2368 -8.1463 -8.1463 -8.1225 -8.1225 -7.8687 -7.8687 0.1737 0.1737 0.4867 0.4867 2.7180 2.7180 2.7572 2.7572 3.2381 3.2381 3.3652 3.3652 3.7825 3.7825 3.9098 3.9098 4.2046 4.2046 9.2673 9.2673 9.6063 9.6063 10.4649 10.4649 10.6178 10.6178 k = 0.0317 0.0550-0.0000 ( 6103 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7855 -24.7855 -24.7399 -24.7399 -8.6162 -8.6162 -8.4022 -8.4022 -8.3489 -8.3489 -8.2367 -8.2367 -8.1407 -8.1407 -8.1205 -8.1205 -7.8791 -7.8791 0.1728 0.1728 0.4845 0.4845 2.7275 2.7275 2.7566 2.7566 3.2370 3.2370 3.3653 3.3653 3.7646 3.7646 3.9094 3.9094 4.2042 4.2042 9.3054 9.3054 9.6421 9.6421 10.4563 10.4563 10.5645 10.5645 k = 0.0238 0.0412-0.0000 ( 6095 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7856 -24.7856 -24.7398 -24.7398 -8.6162 -8.6162 -8.3976 -8.3976 -8.3510 -8.3510 -8.2367 -8.2367 -8.1367 -8.1367 -8.1178 -8.1178 -7.8878 -7.8878 0.1721 0.1721 0.4828 0.4828 2.7346 2.7346 2.7570 2.7570 3.2360 3.2360 3.3654 3.3654 3.7503 3.7503 3.9092 3.9092 4.2038 4.2038 9.3361 9.3361 9.6734 9.6734 10.4481 10.4481 10.5203 10.5203 k = 0.0159 0.0275-0.0000 ( 6083 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7858 -24.7858 -24.7397 -24.7397 -8.6161 -8.6161 -8.3941 -8.3941 -8.3527 -8.3527 -8.2367 -8.2367 -8.1344 -8.1344 -8.1149 -8.1149 -7.8945 -7.8945 0.1716 0.1716 0.4815 0.4815 2.7390 2.7390 2.7581 2.7581 3.2352 3.2352 3.3654 3.3654 3.7399 3.7399 3.9091 3.9091 4.2036 4.2036 9.3585 9.3585 9.6981 9.6981 10.4391 10.4391 10.4892 10.4892 k = 0.0079 0.0137-0.0000 ( 6087 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7858 -24.7858 -24.7396 -24.7396 -8.6161 -8.6161 -8.3918 -8.3918 -8.3539 -8.3539 -8.2367 -8.2367 -8.1333 -8.1333 -8.1128 -8.1128 -7.8987 -7.8987 0.1713 0.1713 0.4808 0.4808 2.7412 2.7412 2.7594 2.7594 3.2347 3.2347 3.3655 3.3655 3.7336 3.7336 3.9089 3.9089 4.2034 4.2034 9.3721 9.3721 9.7142 9.7142 10.4300 10.4300 10.4730 10.4730 k = 0.0000 0.0000 0.0000 ( 6079 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7858 -24.7858 -24.7396 -24.7396 -8.6161 -8.6161 -8.3910 -8.3910 -8.3544 -8.3544 -8.2367 -8.2367 -8.1329 -8.1329 -8.1119 -8.1119 -7.9002 -7.9002 0.1713 0.1713 0.4805 0.4805 2.7418 2.7418 2.7600 2.7600 3.2346 3.2346 3.3655 3.3655 3.7314 3.7314 3.9089 3.9089 4.2034 4.2034 9.3767 9.3767 9.7198 9.7198 10.4259 10.4259 10.4685 10.4685 k = 0.0000 0.0000 0.0000 ( 6079 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7858 -24.7858 -24.7396 -24.7396 -8.6161 -8.6161 -8.3910 -8.3910 -8.3544 -8.3544 -8.2367 -8.2367 -8.1329 -8.1329 -8.1119 -8.1119 -7.9002 -7.9002 0.1713 0.1713 0.4805 0.4805 2.7418 2.7418 2.7600 2.7600 3.2346 3.2346 3.3655 3.3655 3.7314 3.7314 3.9089 3.9089 4.2034 4.2034 9.3767 9.3767 9.7198 9.7198 10.4259 10.4259 10.4685 10.4685 k = 0.0000 0.0000 0.0160 ( 6097 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7858 -24.7858 -24.7396 -24.7396 -8.6160 -8.6160 -8.3912 -8.3912 -8.3543 -8.3543 -8.2366 -8.2366 -8.1332 -8.1332 -8.1120 -8.1120 -7.8998 -7.8998 0.1345 0.1345 0.5187 0.5187 2.7333 2.7333 2.7531 2.7531 3.2444 3.2444 3.3736 3.3736 3.7323 3.7323 3.9094 3.9094 4.2034 4.2034 9.3741 9.3741 9.7235 9.7235 10.3950 10.3950 10.4432 10.4432 k = 0.0000 0.0000 0.0320 ( 6097 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7858 -24.7858 -24.7397 -24.7397 -8.6157 -8.6157 -8.3916 -8.3916 -8.3540 -8.3540 -8.2364 -8.2364 -8.1338 -8.1338 -8.1122 -8.1122 -7.8986 -7.8986 0.0536 0.0536 0.6043 0.6043 2.7096 2.7096 2.7335 2.7335 3.2722 3.2722 3.3967 3.3967 3.7349 3.7349 3.9113 3.9113 4.2033 4.2033 9.3665 9.3665 9.7344 9.7344 10.3197 10.3197 10.3779 10.3779 k = 0.0000 0.0000 0.0479 ( 6085 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7856 -24.7856 -24.7398 -24.7398 -8.6152 -8.6152 -8.3923 -8.3923 -8.3535 -8.3535 -8.2360 -8.2360 -8.1349 -8.1349 -8.1126 -8.1126 -7.8966 -7.8966 -0.0419 -0.0419 0.7074 0.7074 2.6749 2.6749 2.7038 2.7038 3.3135 3.3135 3.4320 3.4320 3.7395 3.7395 3.9145 3.9145 4.2033 4.2033 9.3548 9.3548 9.7515 9.7515 10.2234 10.2234 10.2898 10.2898 k = 0.0000 0.0000 0.0639 ( 6085 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7855 -24.7855 -24.7400 -24.7400 -8.6144 -8.6144 -8.3933 -8.3933 -8.3529 -8.3529 -8.2355 -8.2355 -8.1364 -8.1364 -8.1131 -8.1131 -7.8939 -7.8939 -0.1415 -0.1415 0.8177 0.8177 2.6333 2.6333 2.6671 2.6671 3.3639 3.3639 3.4761 3.4761 3.7463 3.7463 3.9196 3.9196 4.2033 4.2033 9.3400 9.3400 9.7735 9.7735 10.1178 10.1178 10.1900 10.1900 k = 0.0000 0.0000 0.0799 ( 6097 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7853 -24.7853 -24.7402 -24.7402 -8.6135 -8.6135 -8.3945 -8.3945 -8.3520 -8.3520 -8.2349 -8.2349 -8.1383 -8.1383 -8.1137 -8.1137 -7.8905 -7.8905 -0.2418 -0.2418 0.9316 0.9316 2.5878 2.5878 2.6258 2.6258 3.4198 3.4198 3.5257 3.5257 3.7557 3.7557 3.9272 3.9272 4.2033 4.2033 9.3230 9.3230 9.7989 9.7989 10.0082 10.0082 10.0838 10.0838 k = 0.0000 0.0000 0.0959 ( 6109 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7850 -24.7850 -24.7404 -24.7404 -8.6123 -8.6123 -8.3960 -8.3960 -8.3511 -8.3511 -8.2341 -8.2341 -8.1405 -8.1405 -8.1144 -8.1144 -7.8864 -7.8864 -0.3412 -0.3412 1.0474 1.0474 2.5404 2.5404 2.5818 2.5818 3.4781 3.4781 3.5778 3.5778 3.7686 3.7686 3.9383 3.9383 4.2033 4.2033 9.3046 9.3046 9.8234 9.8234 9.9000 9.9000 9.9742 9.9742 k = 0.0000 0.0000 0.1119 ( 6109 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7847 -24.7847 -24.7407 -24.7407 -8.6110 -8.6110 -8.3978 -8.3978 -8.3499 -8.3499 -8.2332 -8.2332 -8.1430 -8.1430 -8.1153 -8.1153 -7.8818 -7.8818 -0.4388 -0.4388 1.1643 1.1643 2.4924 2.4924 2.5366 2.5366 3.5360 3.5360 3.6293 3.6293 3.7868 3.7868 3.9546 3.9546 4.2034 4.2034 9.2853 9.2853 9.7739 9.7739 9.8628 9.8628 9.8668 9.8668 k = 0.0000 0.0000 0.1279 ( 6115 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7844 -24.7844 -24.7410 -24.7410 -8.6095 -8.6095 -8.3997 -8.3997 -8.3486 -8.3486 -8.2322 -8.2322 -8.1457 -8.1457 -8.1163 -8.1163 -7.8766 -7.8766 -0.5343 -0.5343 1.2816 1.2816 2.4447 2.4447 2.4910 2.4910 3.5897 3.5897 3.6770 3.6770 3.8125 3.8125 3.9784 3.9784 4.2036 4.2036 9.2654 9.2654 9.6634 9.6634 9.7503 9.7503 9.8952 9.8952 k = 0.0000 0.0000 0.1438 ( 6127 PWs) bands (ev): -77.8821 -77.8821 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7840 -24.7840 -24.7413 -24.7413 -8.6078 -8.6078 -8.4019 -8.4019 -8.3472 -8.3472 -8.2310 -8.2310 -8.1487 -8.1487 -8.1175 -8.1175 -7.8710 -7.8710 -0.6272 -0.6272 1.3989 1.3989 2.3977 2.3977 2.4458 2.4458 3.6355 3.6355 3.7177 3.7177 3.8489 3.8489 4.0120 4.0120 4.2039 4.2039 9.2449 9.2449 9.5509 9.5509 9.6375 9.6375 9.9260 9.9260 k = 0.0000 0.0000 0.1598 ( 6139 PWs) bands (ev): -77.8821 -77.8821 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7836 -24.7836 -24.7417 -24.7417 -8.6059 -8.6059 -8.4043 -8.4043 -8.3456 -8.3456 -8.2297 -8.2297 -8.1519 -8.1519 -8.1187 -8.1187 -7.8650 -7.8650 -0.7172 -0.7172 1.5157 1.5157 2.3520 2.3520 2.4014 2.4014 3.6713 3.6713 3.7496 3.7496 3.8974 3.8974 4.0565 4.0565 4.2043 4.2043 9.2235 9.2235 9.4395 9.4395 9.5247 9.5247 9.9559 9.9559 k = 0.0000 0.0000 0.1758 ( 6133 PWs) bands (ev): -77.8821 -77.8821 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7832 -24.7832 -24.7421 -24.7421 -8.6038 -8.6038 -8.4068 -8.4068 -8.3440 -8.3440 -8.2283 -8.2283 -8.1553 -8.1553 -8.1201 -8.1201 -7.8586 -7.8586 -0.8041 -0.8041 1.6315 1.6315 2.3079 2.3079 2.3582 2.3582 3.6982 3.6982 3.7730 3.7730 3.9561 3.9561 4.1114 4.1114 4.2053 4.2053 9.1990 9.1990 9.3322 9.3322 9.4124 9.4124 9.9834 9.9834 k = 0.0000 0.0000 0.1918 ( 6121 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7827 -24.7827 -24.7426 -24.7426 -8.6016 -8.6016 -8.4095 -8.4095 -8.3422 -8.3422 -8.2268 -8.2268 -8.1587 -8.1587 -8.1215 -8.1215 -7.8520 -7.8520 -0.8878 -0.8878 1.7459 1.7459 2.2655 2.2655 2.3165 2.3165 3.7186 3.7186 3.7896 3.7896 4.0214 4.0214 4.1744 4.1744 4.2075 4.2075 9.1595 9.1595 9.2412 9.2412 9.3010 9.3010 10.0067 10.0067 k = 0.0000 0.0000 0.2078 ( 6133 PWs) bands (ev): -77.8821 -77.8821 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7823 -24.7823 -24.7431 -24.7431 -8.5993 -8.5993 -8.4124 -8.4124 -8.3403 -8.3403 -8.2252 -8.2252 -8.1623 -8.1623 -8.1231 -8.1231 -7.8452 -7.8452 -0.9680 -0.9680 1.8584 1.8584 2.2252 2.2252 2.2764 2.2764 3.7350 3.7350 3.8012 3.8012 4.0886 4.0886 4.2124 4.2124 4.2431 4.2431 9.0787 9.0787 9.1906 9.1906 9.1932 9.1932 10.0243 10.0243 k = 0.0000 0.0000 0.2237 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7817 -24.7817 -24.7436 -24.7436 -8.5969 -8.5969 -8.4154 -8.4154 -8.3383 -8.3383 -8.2235 -8.2235 -8.1659 -8.1659 -8.1247 -8.1247 -7.8383 -7.8383 -1.0445 -1.0445 1.9681 1.9681 2.1876 2.1876 2.2381 2.2381 3.7489 3.7489 3.8095 3.8095 4.1477 4.1477 4.2282 4.2282 4.3157 4.3157 8.9772 8.9772 9.0817 9.0817 9.1682 9.1682 10.0348 10.0348 k = 0.0000 0.0000 0.2397 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7812 -24.7812 -24.7441 -24.7441 -8.5943 -8.5943 -8.4185 -8.4185 -8.3363 -8.3363 -8.2217 -8.2217 -8.1696 -8.1696 -8.1264 -8.1264 -7.8313 -7.8313 -1.1173 -1.1173 2.0709 2.0709 2.1564 2.1564 2.2017 2.2017 3.7611 3.7611 3.8156 3.8156 4.1783 4.1783 4.2742 4.2742 4.3907 4.3907 8.8728 8.8728 8.9746 8.9746 9.1486 9.1486 10.0370 10.0370 k = 0.0000 0.0000 0.2557 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7806 -24.7806 -24.7446 -24.7446 -8.5916 -8.5916 -8.4217 -8.4217 -8.3342 -8.3342 -8.2199 -8.2199 -8.1732 -8.1732 -8.1282 -8.1282 -7.8244 -7.8244 -1.1862 -1.1862 2.1045 2.1045 2.1674 2.1674 2.1937 2.1937 3.7719 3.7719 3.8201 3.8201 4.1874 4.1874 4.3421 4.3421 4.4669 4.4669 8.7692 8.7692 8.8695 8.8695 9.1312 9.1312 10.0305 10.0305 k = 0.0000 0.0000 0.2717 ( 6078 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7801 -24.7801 -24.7452 -24.7452 -8.5889 -8.5889 -8.4250 -8.4250 -8.3320 -8.3320 -8.2180 -8.2180 -8.1768 -8.1768 -8.1301 -8.1301 -7.8176 -7.8176 -1.2509 -1.2509 2.0772 2.0772 2.1352 2.1352 2.2906 2.2906 3.7816 3.7816 3.8235 3.8235 4.1907 4.1907 4.4157 4.4157 4.5434 4.5434 8.6678 8.6678 8.7671 8.7671 9.1151 9.1151 10.0157 10.0157 k = 0.0000 0.0000 0.2877 ( 6078 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7795 -24.7795 -24.7457 -24.7457 -8.5862 -8.5862 -8.4283 -8.4283 -8.3299 -8.3299 -8.2161 -8.2161 -8.1803 -8.1803 -8.1319 -8.1319 -7.8109 -7.8109 -1.3115 -1.3115 2.0481 2.0481 2.1052 2.1052 2.3875 2.3875 3.7902 3.7902 3.8261 3.8261 4.1922 4.1922 4.4902 4.4902 4.6194 4.6194 8.5693 8.5693 8.6676 8.6676 9.1002 9.1002 9.9936 9.9936 k = 0.0000 0.0000 0.3037 ( 6084 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7789 -24.7789 -24.7463 -24.7463 -8.5834 -8.5834 -8.4315 -8.4315 -8.3278 -8.3278 -8.2141 -8.2141 -8.1838 -8.1838 -8.1338 -8.1338 -7.8045 -7.8045 -1.3677 -1.3677 2.0207 2.0207 2.0774 2.0774 2.4806 2.4806 3.7977 3.7977 3.8281 3.8281 4.1929 4.1929 4.5638 4.5638 4.6942 4.6942 8.4742 8.4742 8.5717 8.5717 9.0862 9.0862 9.9659 9.9659 k = 0.0000 0.0000 0.3196 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7784 -24.7784 -24.7468 -24.7468 -8.5806 -8.5806 -8.4348 -8.4348 -8.3256 -8.3256 -8.2122 -8.2122 -8.1871 -8.1871 -8.1357 -8.1357 -7.7984 -7.7984 -1.4195 -1.4195 1.9953 1.9953 2.0519 2.0519 2.5690 2.5690 3.8042 3.8042 3.8297 3.8297 4.1933 4.1933 4.6356 4.6356 4.7670 4.7670 8.3833 8.3833 8.4799 8.4799 9.0734 9.0734 9.9344 9.9344 k = 0.0000 0.0000 0.3356 ( 6078 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7778 -24.7778 -24.7473 -24.7473 -8.5779 -8.5779 -8.4379 -8.4379 -8.3236 -8.3236 -8.2102 -8.2102 -8.1903 -8.1903 -8.1376 -8.1376 -7.7927 -7.7927 -1.4667 -1.4667 1.9722 1.9722 2.0287 2.0287 2.6520 2.6520 3.8096 3.8096 3.8310 3.8310 4.1935 4.1935 4.7046 4.7046 4.8371 4.8371 8.2972 8.2972 8.3928 8.3928 9.0616 9.0616 9.9008 9.9008 k = 0.0000 0.0000 0.3516 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7773 -24.7773 -24.7478 -24.7478 -8.5753 -8.5753 -8.4410 -8.4410 -8.3216 -8.3216 -8.2084 -8.2084 -8.1933 -8.1933 -8.1395 -8.1395 -7.7873 -7.7873 -1.5093 -1.5093 1.9514 1.9514 2.0079 2.0079 2.7288 2.7288 3.8139 3.8139 3.8319 3.8319 4.1936 4.1936 4.7700 4.7700 4.9035 4.9035 8.2167 8.2167 8.3113 8.3113 9.0509 9.0509 9.8666 9.8666 k = 0.0000 0.0000 0.3676 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7768 -24.7768 -24.7483 -24.7483 -8.5728 -8.5728 -8.4439 -8.4439 -8.3197 -8.3197 -8.2066 -8.2066 -8.1961 -8.1961 -8.1412 -8.1412 -7.7825 -7.7825 -1.5470 -1.5470 1.9330 1.9330 1.9894 1.9894 2.7988 2.7988 3.8172 3.8172 3.8327 3.8327 4.1936 4.1936 4.8308 4.8308 4.9654 4.9654 8.1425 8.1425 8.2361 8.2361 9.0413 9.0413 9.8333 9.8333 k = 0.0000 0.0000 0.3836 ( 6126 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7764 -24.7764 -24.7487 -24.7487 -8.5705 -8.5705 -8.4465 -8.4465 -8.3180 -8.3180 -8.2049 -8.2049 -8.1986 -8.1986 -8.1429 -8.1429 -7.7782 -7.7782 -1.5799 -1.5799 1.9169 1.9169 1.9734 1.9734 2.8615 2.8615 3.8194 3.8194 3.8333 3.8333 4.1935 4.1935 4.8862 4.8862 5.0220 5.0220 8.0756 8.0756 8.1682 8.1682 9.0329 9.0329 9.8020 9.8020 k = 0.0000 0.0000 0.3996 ( 6126 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7760 -24.7760 -24.7491 -24.7491 -8.5684 -8.5684 -8.4489 -8.4489 -8.3165 -8.3165 -8.2033 -8.2033 -8.2008 -8.2008 -8.1444 -8.1444 -7.7745 -7.7745 -1.6079 -1.6079 1.9033 1.9033 1.9598 1.9598 2.9160 2.9160 3.8208 3.8208 3.8337 3.8337 4.1935 4.1935 4.9354 4.9354 5.0722 5.0722 8.0169 8.0169 8.1085 8.1085 9.0258 9.0258 9.7739 9.7739 k = 0.0000 0.0000 0.4155 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7756 -24.7756 -24.7495 -24.7495 -8.5666 -8.5666 -8.4509 -8.4509 -8.3152 -8.3152 -8.2026 -8.2026 -8.2020 -8.2020 -8.1457 -8.1457 -7.7714 -7.7714 -1.6309 -1.6309 1.8922 1.8922 1.9487 1.9487 2.9619 2.9619 3.8216 3.8216 3.8341 3.8341 4.1935 4.1935 4.9773 4.9773 5.1150 5.1150 7.9672 7.9672 8.0578 8.0578 9.0200 9.0200 9.7498 9.7498 k = 0.0000 0.0000 0.4315 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7754 -24.7754 -24.7497 -24.7497 -8.5652 -8.5652 -8.4526 -8.4526 -8.3141 -8.3141 -8.2041 -8.2041 -8.2009 -8.2009 -8.1468 -8.1468 -7.7689 -7.7689 -1.6488 -1.6488 1.8835 1.8835 1.9400 1.9400 2.9984 2.9984 3.8218 3.8218 3.8344 3.8344 4.1935 4.1935 5.0110 5.0110 5.1496 5.1496 7.9274 7.9274 8.0173 8.0173 9.0154 9.0154 9.7304 9.7304 k = 0.0000 0.0000 0.4475 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7751 -24.7751 -24.7499 -24.7499 -8.5641 -8.5641 -8.4538 -8.4538 -8.3133 -8.3133 -8.2052 -8.2052 -8.2000 -8.2000 -8.1476 -8.1476 -7.7671 -7.7671 -1.6616 -1.6616 1.8773 1.8773 1.9338 1.9338 3.0249 3.0249 3.8218 3.8218 3.8345 3.8345 4.1934 4.1934 5.0356 5.0356 5.1749 5.1749 7.8984 7.8984 7.9877 7.9877 9.0121 9.0121 9.7161 9.7161 k = 0.0000 0.0000 0.4635 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7750 -24.7750 -24.7501 -24.7501 -8.5634 -8.5634 -8.4546 -8.4546 -8.3128 -8.3128 -8.2059 -8.2059 -8.1995 -8.1995 -8.1482 -8.1482 -7.7660 -7.7660 -1.6693 -1.6693 1.8736 1.8736 1.9301 1.9301 3.0411 3.0411 3.8216 3.8216 3.8347 3.8347 4.1935 4.1935 5.0507 5.0507 5.1904 5.1904 7.8807 7.8807 7.9696 7.9696 9.0101 9.0101 9.7073 9.7073 k = 0.0000 0.0000 0.4795 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7750 -24.7750 -24.7501 -24.7501 -8.5632 -8.5632 -8.4548 -8.4548 -8.3127 -8.3127 -8.2061 -8.2061 -8.1993 -8.1993 -8.1483 -8.1483 -7.7657 -7.7657 -1.6719 -1.6719 1.8724 1.8724 1.9288 1.9288 3.0465 3.0465 3.8216 3.8216 3.8348 3.8348 4.1934 4.1934 5.0558 5.0558 5.1956 5.1956 7.8747 7.8747 7.9635 7.9635 9.0094 9.0094 9.7044 9.7044 k = 0.0000 0.0000 0.4795 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7750 -24.7750 -24.7501 -24.7501 -8.5632 -8.5632 -8.4548 -8.4548 -8.3127 -8.3127 -8.2061 -8.2061 -8.1993 -8.1993 -8.1483 -8.1483 -7.7657 -7.7657 -1.6719 -1.6719 1.8724 1.8724 1.9288 1.9288 3.0465 3.0465 3.8216 3.8216 3.8348 3.8348 4.1934 4.1934 5.0558 5.0558 5.1956 5.1956 7.8747 7.8747 7.9635 7.9635 9.0094 9.0094 9.7044 9.7044 k = 0.0139 0.0080 0.4795 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7750 -24.7750 -24.7501 -24.7501 -8.5634 -8.5634 -8.4551 -8.4551 -8.3126 -8.3126 -8.2073 -8.2073 -8.1982 -8.1982 -8.1484 -8.1484 -7.7651 -7.7651 -1.6717 -1.6717 1.8723 1.8723 1.9287 1.9287 3.0469 3.0469 3.8223 3.8223 3.8347 3.8347 4.1935 4.1935 5.0557 5.0557 5.1955 5.1955 7.8734 7.8734 7.9622 7.9622 9.0112 9.0112 9.7064 9.7064 k = 0.0278 0.0160 0.4795 ( 6106 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7749 -24.7749 -24.7501 -24.7501 -8.5642 -8.5642 -8.4560 -8.4560 -8.3125 -8.3125 -8.2097 -8.2097 -8.1959 -8.1959 -8.1486 -8.1486 -7.7635 -7.7635 -1.6712 -1.6712 1.8719 1.8719 1.9284 1.9284 3.0483 3.0483 3.8246 3.8246 3.8349 3.8349 4.1937 4.1937 5.0555 5.0555 5.1953 5.1953 7.8692 7.8692 7.9588 7.9588 9.0167 9.0167 9.7123 9.7123 k = 0.0417 0.0241 0.4795 ( 6106 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7749 -24.7749 -24.7502 -24.7502 -8.5654 -8.5654 -8.4574 -8.4574 -8.3122 -8.3122 -8.2126 -8.2126 -8.1934 -8.1934 -8.1490 -8.1490 -7.7609 -7.7609 -1.6703 -1.6703 1.8713 1.8713 1.9279 1.9279 3.0505 3.0505 3.8283 3.8283 3.8353 3.8353 4.1940 4.1940 5.0551 5.0551 5.1949 5.1949 7.8609 7.8609 7.9544 7.9544 9.0257 9.0257 9.7220 9.7220 k = 0.0556 0.0321 0.4795 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7748 -24.7748 -24.7502 -24.7502 -8.5671 -8.5671 -8.4593 -8.4593 -8.3120 -8.3120 -8.2156 -8.2156 -8.1908 -8.1908 -8.1494 -8.1494 -7.7572 -7.7572 -1.6690 -1.6690 1.8704 1.8704 1.9273 1.9273 3.0536 3.0536 3.8325 3.8325 3.8368 3.8368 4.1946 4.1946 5.0546 5.0546 5.1943 5.1943 7.8475 7.8475 7.9505 7.9505 9.0383 9.0383 9.7351 9.7351 k = 0.0694 0.0401 0.4795 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7747 -24.7747 -24.7503 -24.7503 -8.5693 -8.5693 -8.4617 -8.4617 -8.3117 -8.3117 -8.2187 -8.2187 -8.1882 -8.1882 -8.1500 -8.1500 -7.7525 -7.7525 -1.6674 -1.6674 1.8690 1.8690 1.9268 1.9268 3.0575 3.0575 3.8344 3.8344 3.8422 3.8422 4.1952 4.1952 5.0539 5.0539 5.1936 5.1936 7.8281 7.8281 7.9483 7.9483 9.0543 9.0543 9.7512 9.7512 k = 0.0833 0.0481 0.4795 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7745 -24.7745 -24.7504 -24.7504 -8.5720 -8.5720 -8.4645 -8.4645 -8.3114 -8.3114 -8.2217 -8.2217 -8.1857 -8.1857 -8.1506 -8.1506 -7.7470 -7.7470 -1.6654 -1.6654 1.8672 1.8672 1.9264 1.9264 3.0621 3.0621 3.8350 3.8350 3.8504 3.8504 4.1960 4.1960 5.0530 5.0530 5.1928 5.1928 7.8027 7.8027 7.9483 7.9483 9.0738 9.0738 9.7698 9.7698 k = 0.0972 0.0561 0.4795 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7744 -24.7744 -24.7505 -24.7505 -8.5751 -8.5751 -8.4676 -8.4676 -8.3111 -8.3111 -8.2248 -8.2248 -8.1834 -8.1834 -8.1512 -8.1512 -7.7407 -7.7407 -1.6631 -1.6631 1.8647 1.8647 1.9263 1.9263 3.0674 3.0674 3.8355 3.8355 3.8603 3.8603 4.1971 4.1971 5.0521 5.0521 5.1918 5.1918 7.7719 7.7719 7.9502 7.9502 9.0965 9.0965 9.7905 9.7905 k = 0.1111 0.0642 0.4795 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7742 -24.7742 -24.7506 -24.7506 -8.5786 -8.5786 -8.4710 -8.4710 -8.3110 -8.3110 -8.2279 -8.2279 -8.1812 -8.1812 -8.1517 -8.1517 -7.7336 -7.7336 -1.6605 -1.6605 1.8616 1.8616 1.9266 1.9266 3.0734 3.0734 3.8359 3.8359 3.8718 3.8718 4.1982 4.1982 5.0510 5.0510 5.1907 5.1907 7.7366 7.7366 7.9536 7.9536 9.1223 9.1223 9.8128 9.8128 k = 0.1250 0.0722 0.4795 ( 6112 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7740 -24.7740 -24.7507 -24.7507 -8.5826 -8.5826 -8.4745 -8.4745 -8.3109 -8.3109 -8.2309 -8.2309 -8.1791 -8.1791 -8.1522 -8.1522 -7.7259 -7.7259 -1.6576 -1.6576 1.8579 1.8579 1.9273 1.9273 3.0799 3.0799 3.8363 3.8363 3.8847 3.8847 4.1995 4.1995 5.0499 5.0499 5.1896 5.1896 7.6973 7.6973 7.9584 7.9584 9.1511 9.1511 9.8362 9.8362 k = 0.1389 0.0802 0.4795 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7737 -24.7737 -24.7509 -24.7509 -8.5870 -8.5870 -8.4781 -8.4781 -8.3110 -8.3110 -8.2339 -8.2339 -8.1772 -8.1772 -8.1527 -8.1527 -7.7177 -7.7177 -1.6545 -1.6545 1.8535 1.8535 1.9285 1.9285 3.0869 3.0869 3.8368 3.8368 3.8990 3.8990 4.2010 4.2010 5.0486 5.0486 5.1883 5.1883 7.6549 7.6549 7.9642 7.9642 9.1827 9.1827 9.8603 9.8603 k = 0.1528 0.0882 0.4795 ( 6106 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7735 -24.7735 -24.7510 -24.7510 -8.5917 -8.5917 -8.4818 -8.4818 -8.3111 -8.3111 -8.2369 -8.2369 -8.1755 -8.1755 -8.1529 -8.1529 -7.7089 -7.7089 -1.6511 -1.6511 1.8486 1.8486 1.9301 1.9301 3.0943 3.0943 3.8372 3.8372 3.9147 3.9147 4.2028 4.2028 5.0473 5.0473 5.1869 5.1869 7.6098 7.6098 7.9709 7.9709 9.2169 9.2169 9.8848 9.8848 k = 0.1667 0.0962 0.4795 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7732 -24.7732 -24.7512 -24.7512 -8.5968 -8.5968 -8.4855 -8.4855 -8.3114 -8.3114 -8.2399 -8.2399 -8.1740 -8.1740 -8.1531 -8.1531 -7.6998 -7.6998 -1.6475 -1.6475 1.8432 1.8432 1.9322 1.9322 3.1020 3.1020 3.8376 3.8376 3.9315 3.9315 4.2047 4.2047 5.0460 5.0460 5.1855 5.1855 7.5625 7.5625 7.9782 7.9782 9.2533 9.2533 9.9094 9.9094 k = 0.1806 0.1042 0.4795 ( 6118 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7729 -24.7729 -24.7514 -24.7514 -8.6021 -8.6021 -8.4892 -8.4892 -8.3119 -8.3119 -8.2428 -8.2428 -8.1726 -8.1726 -8.1531 -8.1531 -7.6905 -7.6905 -1.6438 -1.6438 1.8374 1.8374 1.9345 1.9345 3.1100 3.1100 3.8380 3.8380 3.9496 3.9496 4.2069 4.2069 5.0446 5.0446 5.1840 5.1840 7.5135 7.5135 7.9862 7.9862 9.2918 9.2918 9.9339 9.9339 k = 0.1944 0.1123 0.4795 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7726 -24.7726 -24.7516 -24.7516 -8.6077 -8.6077 -8.4929 -8.4929 -8.3124 -8.3124 -8.2457 -8.2457 -8.1715 -8.1715 -8.1529 -8.1529 -7.6809 -7.6809 -1.6399 -1.6399 1.8314 1.8314 1.9372 1.9372 3.1182 3.1182 3.8385 3.8385 3.9687 3.9687 4.2093 4.2093 5.0432 5.0432 5.1825 5.1825 7.4631 7.4631 7.9946 7.9946 9.3321 9.3321 9.9582 9.9582 k = 0.2083 0.1203 0.4795 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7723 -24.7723 -24.7518 -24.7518 -8.6134 -8.6134 -8.4964 -8.4964 -8.3130 -8.3130 -8.2485 -8.2485 -8.1705 -8.1705 -8.1526 -8.1526 -7.6711 -7.6711 -1.6358 -1.6358 1.8252 1.8252 1.9402 1.9402 3.1264 3.1264 3.8389 3.8389 3.9888 3.9888 4.2121 4.2121 5.0419 5.0419 5.1811 5.1811 7.4116 7.4116 8.0034 8.0034 9.3736 9.3736 9.9822 9.9822 k = 0.2222 0.1283 0.4795 ( 6116 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7720 -24.7720 -24.7520 -24.7520 -8.6193 -8.6193 -8.4999 -8.4999 -8.3137 -8.3137 -8.2513 -8.2513 -8.1696 -8.1696 -8.1521 -8.1521 -7.6614 -7.6614 -1.6317 -1.6317 1.8188 1.8188 1.9433 1.9433 3.1347 3.1347 3.8392 3.8392 4.0096 4.0096 4.2152 4.2152 5.0406 5.0406 5.1795 5.1795 7.3594 7.3594 8.0125 8.0125 9.4161 9.4161 10.0060 10.0060 k = 0.2361 0.1363 0.4795 ( 6112 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7716 -24.7716 -24.7523 -24.7523 -8.6252 -8.6252 -8.5032 -8.5032 -8.3145 -8.3145 -8.2541 -8.2541 -8.1689 -8.1689 -8.1516 -8.1516 -7.6516 -7.6516 -1.6275 -1.6275 1.8124 1.8124 1.9466 1.9466 3.1429 3.1429 3.8396 3.8396 4.0310 4.0310 4.2187 4.2187 5.0394 5.0394 5.1781 5.1781 7.3068 7.3068 8.0218 8.0218 9.4592 9.4592 10.0296 10.0296 k = 0.2500 0.1443 0.4795 ( 6112 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7712 -24.7712 -24.7525 -24.7525 -8.6312 -8.6312 -8.5064 -8.5064 -8.3153 -8.3153 -8.2569 -8.2569 -8.1682 -8.1682 -8.1510 -8.1510 -7.6419 -7.6419 -1.6233 -1.6233 1.8060 1.8060 1.9501 1.9501 3.1511 3.1511 3.8399 3.8399 4.0527 4.0527 4.2229 4.2229 5.0382 5.0382 5.1766 5.1766 7.2540 7.2540 8.0313 8.0313 9.5023 9.5023 10.0533 10.0533 k = 0.2639 0.1524 0.4795 ( 6112 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7708 -24.7708 -24.7528 -24.7528 -8.6372 -8.6372 -8.5094 -8.5094 -8.3161 -8.3161 -8.2596 -8.2596 -8.1676 -8.1676 -8.1505 -8.1505 -7.6324 -7.6324 -1.6190 -1.6190 1.7997 1.7997 1.9535 1.9535 3.1591 3.1591 3.8401 3.8401 4.0744 4.0744 4.2277 4.2277 5.0372 5.0372 5.1752 5.1752 7.2013 7.2013 8.0407 8.0407 9.5449 9.5449 10.0772 10.0772 k = 0.2778 0.1604 0.4795 ( 6118 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7705 -24.7705 -24.7531 -24.7531 -8.6430 -8.6430 -8.5123 -8.5123 -8.3169 -8.3169 -8.2623 -8.2623 -8.1670 -8.1670 -8.1499 -8.1499 -7.6231 -7.6231 -1.6149 -1.6149 1.7935 1.7935 1.9570 1.9570 3.1669 3.1669 3.8404 3.8404 4.0957 4.0957 4.2336 4.2336 5.0362 5.0362 5.1738 5.1738 7.1490 7.1490 8.0502 8.0502 9.5866 9.5866 10.1017 10.1017 k = 0.2917 0.1684 0.4795 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7701 -24.7701 -24.7534 -24.7534 -8.6488 -8.6488 -8.5151 -8.5151 -8.3177 -8.3177 -8.2649 -8.2649 -8.1664 -8.1664 -8.1494 -8.1494 -7.6141 -7.6141 -1.6108 -1.6108 1.7875 1.7875 1.9605 1.9605 3.1744 3.1744 3.8406 3.8406 4.1161 4.1161 4.2407 4.2407 5.0355 5.0355 5.1725 5.1725 7.0974 7.0974 8.0595 8.0595 9.6267 9.6267 10.1269 10.1269 k = 0.3056 0.1764 0.4795 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7697 -24.7697 -24.7537 -24.7537 -8.6543 -8.6543 -8.5176 -8.5176 -8.3184 -8.3184 -8.2675 -8.2675 -8.1659 -8.1659 -8.1489 -8.1489 -7.6054 -7.6054 -1.6068 -1.6068 1.7818 1.7818 1.9640 1.9640 3.1816 3.1816 3.8407 3.8407 4.1348 4.1348 4.2497 4.2497 5.0348 5.0348 5.1712 5.1712 7.0466 7.0466 8.0686 8.0686 9.6650 9.6650 10.1532 10.1532 k = 0.3194 0.1844 0.4795 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7692 -24.7692 -24.7540 -24.7540 -8.6597 -8.6597 -8.5201 -8.5201 -8.3191 -8.3191 -8.2700 -8.2700 -8.1653 -8.1653 -8.1485 -8.1485 -7.5971 -7.5971 -1.6029 -1.6029 1.7764 1.7764 1.9674 1.9674 3.1885 3.1885 3.8409 3.8409 4.1513 4.1513 4.2608 4.2608 5.0344 5.0344 5.1701 5.1701 6.9972 6.9972 8.0774 8.0774 9.7010 9.7010 10.1806 10.1806 k = 0.3333 0.1925 0.4795 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7688 -24.7688 -24.7543 -24.7543 -8.6648 -8.6648 -8.5223 -8.5223 -8.3197 -8.3197 -8.2725 -8.2725 -8.1647 -8.1647 -8.1482 -8.1482 -7.5892 -7.5892 -1.5991 -1.5991 1.7712 1.7712 1.9706 1.9706 3.1950 3.1950 3.8410 3.8410 4.1652 4.1652 4.2743 4.2743 5.0341 5.0341 5.1691 5.1691 6.9492 6.9492 8.0859 8.0859 9.7345 9.7345 10.2090 10.2090 k = 0.3472 0.2005 0.4795 ( 6092 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7684 -24.7684 -24.7546 -24.7546 -8.6696 -8.6696 -8.5244 -8.5244 -8.3203 -8.3203 -8.2749 -8.2749 -8.1641 -8.1641 -8.1480 -8.1480 -7.5818 -7.5818 -1.5956 -1.5956 1.7664 1.7664 1.9738 1.9738 3.2011 3.2011 3.8411 3.8411 4.1763 4.1763 4.2899 4.2899 5.0341 5.0341 5.1682 5.1682 6.9031 6.9031 8.0940 8.0940 9.7655 9.7655 10.2380 10.2380 k = 0.3611 0.2085 0.4795 ( 6092 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7680 -24.7680 -24.7549 -24.7549 -8.6741 -8.6741 -8.5263 -8.5263 -8.3207 -8.3207 -8.2771 -8.2771 -8.1635 -8.1635 -8.1478 -8.1478 -7.5749 -7.5749 -1.5923 -1.5923 1.7620 1.7620 1.9767 1.9767 3.2068 3.2068 3.8411 3.8411 4.1850 4.1850 4.3070 4.3070 5.0342 5.0342 5.1673 5.1673 6.8592 6.8592 8.1016 8.1016 9.7941 9.7941 10.2662 10.2662 k = 0.3750 0.2165 0.4795 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7676 -24.7676 -24.7552 -24.7552 -8.6783 -8.6783 -8.5280 -8.5280 -8.3211 -8.3211 -8.2792 -8.2792 -8.1629 -8.1629 -8.1477 -8.1477 -7.5686 -7.5686 -1.5892 -1.5892 1.7579 1.7579 1.9794 1.9794 3.2120 3.2120 3.8411 3.8411 4.1918 4.1918 4.3248 4.3248 5.0344 5.0344 5.1665 5.1665 6.8179 6.8179 8.1087 8.1087 9.8206 9.8206 10.2894 10.2894 k = 0.3889 0.2245 0.4795 ( 6088 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7673 -24.7673 -24.7555 -24.7555 -8.6820 -8.6820 -8.5296 -8.5296 -8.3214 -8.3214 -8.2812 -8.2812 -8.1623 -8.1623 -8.1477 -8.1477 -7.5628 -7.5628 -1.5864 -1.5864 1.7542 1.7542 1.9820 1.9820 3.2167 3.2167 3.8411 3.8411 4.1972 4.1972 4.3427 4.3427 5.0348 5.0348 5.1660 5.1660 6.7795 6.7795 8.1152 8.1152 9.8454 9.8454 10.2964 10.2964 k = 0.4028 0.2325 0.4795 ( 6092 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7669 -24.7669 -24.7558 -24.7558 -8.6854 -8.6854 -8.5309 -8.5309 -8.3216 -8.3216 -8.2831 -8.2831 -8.1617 -8.1617 -8.1477 -8.1477 -7.5576 -7.5576 -1.5838 -1.5838 1.7509 1.7509 1.9843 1.9843 3.2209 3.2209 3.8411 3.8411 4.2013 4.2013 4.3598 4.3598 5.0354 5.0354 5.1655 5.1655 6.7444 6.7444 8.1210 8.1210 9.8691 9.8691 10.2772 10.2772 k = 0.4167 0.2406 0.4795 ( 6084 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7666 -24.7666 -24.7560 -24.7560 -8.6884 -8.6884 -8.5321 -8.5321 -8.3218 -8.3218 -8.2847 -8.2847 -8.1611 -8.1611 -8.1478 -8.1478 -7.5531 -7.5531 -1.5816 -1.5816 1.7480 1.7480 1.9863 1.9863 3.2245 3.2245 3.8411 3.8411 4.2047 4.2047 4.3758 4.3758 5.0360 5.0360 5.1651 5.1651 6.7130 6.7130 8.1262 8.1262 9.8921 9.8921 10.2440 10.2440 k = 0.4306 0.2486 0.4795 ( 6084 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7663 -24.7663 -24.7563 -24.7563 -8.6909 -8.6909 -8.5331 -8.5331 -8.3219 -8.3219 -8.2861 -8.2861 -8.1606 -8.1606 -8.1479 -8.1479 -7.5492 -7.5492 -1.5796 -1.5796 1.7456 1.7456 1.9880 1.9880 3.2276 3.2276 3.8411 3.8411 4.2073 4.2073 4.3900 4.3900 5.0366 5.0366 5.1647 5.1647 6.6857 6.6857 8.1306 8.1306 9.9149 9.9149 10.2075 10.2075 k = 0.4444 0.2566 0.4795 ( 6074 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7660 -24.7660 -24.7565 -24.7565 -8.6930 -8.6930 -8.5340 -8.5340 -8.3220 -8.3220 -8.2874 -8.2874 -8.1602 -8.1602 -8.1480 -8.1480 -7.5460 -7.5460 -1.5780 -1.5780 1.7436 1.7436 1.9894 1.9894 3.2302 3.2302 3.8411 3.8411 4.2094 4.2094 4.4021 4.4021 5.0372 5.0372 5.1645 5.1645 6.6628 6.6628 8.1343 8.1343 9.9380 9.9380 10.1711 10.1711 k = 0.4583 0.2646 0.4795 ( 6076 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7658 -24.7658 -24.7567 -24.7567 -8.6947 -8.6947 -8.5346 -8.5346 -8.3220 -8.3220 -8.2883 -8.2883 -8.1598 -8.1598 -8.1481 -8.1481 -7.5435 -7.5435 -1.5768 -1.5768 1.7421 1.7421 1.9906 1.9906 3.2322 3.2322 3.8411 3.8411 4.2110 4.2110 4.4119 4.4119 5.0378 5.0378 5.1643 5.1643 6.6446 6.6446 8.1372 8.1372 9.9618 9.9618 10.1361 10.1361 k = 0.4722 0.2726 0.4795 ( 6080 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7657 -24.7657 -24.7568 -24.7568 -8.6959 -8.6959 -8.5351 -8.5351 -8.3220 -8.3220 -8.2890 -8.2890 -8.1595 -8.1595 -8.1482 -8.1482 -7.5417 -7.5417 -1.5759 -1.5759 1.7409 1.7409 1.9914 1.9914 3.2336 3.2336 3.8410 3.8410 4.2120 4.2120 4.4190 4.4190 5.0382 5.0382 5.1642 5.1642 6.6314 6.6314 8.1393 8.1393 9.9865 9.9865 10.1030 10.1030 k = 0.4861 0.2807 0.4795 ( 6072 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7656 -24.7656 -24.7569 -24.7569 -8.6966 -8.6966 -8.5354 -8.5354 -8.3220 -8.3220 -8.2895 -8.2895 -8.1594 -8.1594 -8.1483 -8.1483 -7.5407 -7.5407 -1.5754 -1.5754 1.7403 1.7403 1.9919 1.9919 3.2345 3.2345 3.8410 3.8410 4.2127 4.2127 4.4234 4.4234 5.0385 5.0385 5.1642 5.1642 6.6234 6.6234 8.1405 8.1405 10.0122 10.0122 10.0720 10.0720 k = 0.5000 0.2887 0.4795 ( 6068 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7655 -24.7655 -24.7569 -24.7569 -8.6968 -8.6968 -8.5354 -8.5354 -8.3221 -8.3221 -8.2896 -8.2896 -8.1593 -8.1593 -8.1483 -8.1483 -7.5403 -7.5403 -1.5752 -1.5752 1.7400 1.7400 1.9921 1.9921 3.2348 3.2348 3.8411 3.8411 4.2129 4.2129 4.4249 4.4249 5.0386 5.0386 5.1641 5.1641 6.6207 6.6207 8.1410 8.1410 10.0330 10.0330 10.0495 10.0495 k = 0.5000 0.2887 0.4795 ( 6068 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7655 -24.7655 -24.7569 -24.7569 -8.6968 -8.6968 -8.5354 -8.5354 -8.3221 -8.3221 -8.2896 -8.2896 -8.1593 -8.1593 -8.1483 -8.1483 -7.5403 -7.5403 -1.5752 -1.5752 1.7400 1.7400 1.9921 1.9921 3.2348 3.2348 3.8411 3.8411 4.2129 4.2129 4.4249 4.4249 5.0386 5.0386 5.1641 5.1641 6.6207 6.6207 8.1410 8.1410 10.0330 10.0330 10.0495 10.0495 k = 0.4921 0.3024 0.4795 ( 6072 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7655 -24.7655 -24.7569 -24.7569 -8.6967 -8.6967 -8.5354 -8.5354 -8.3238 -8.3238 -8.2881 -8.2881 -8.1601 -8.1601 -8.1475 -8.1475 -7.5402 -7.5402 -1.5751 -1.5751 1.7404 1.7404 1.9916 1.9916 3.2349 3.2349 3.8412 3.8412 4.2130 4.2130 4.4250 4.4250 5.0385 5.0385 5.1640 5.1640 6.6223 6.6223 8.1370 8.1370 10.0342 10.0342 10.0508 10.0508 k = 0.4841 0.3162 0.4795 ( 6076 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7655 -24.7655 -24.7570 -24.7570 -8.6965 -8.6965 -8.5354 -8.5354 -8.3284 -8.3284 -8.2842 -8.2842 -8.1619 -8.1619 -8.1457 -8.1457 -7.5398 -7.5398 -1.5749 -1.5749 1.7414 1.7414 1.9904 1.9904 3.2352 3.2352 3.8416 3.8416 4.2132 4.2132 4.4253 4.4253 5.0382 5.0382 5.1636 5.1636 6.6271 6.6271 8.1253 8.1253 10.0379 10.0379 10.0548 10.0548 k = 0.4762 0.3299 0.4795 ( 6084 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7654 -24.7654 -24.7570 -24.7570 -8.6961 -8.6961 -8.5354 -8.5354 -8.3346 -8.3346 -8.2792 -8.2792 -8.1642 -8.1642 -8.1433 -8.1433 -7.5393 -7.5393 -1.5746 -1.5746 1.7432 1.7432 1.9884 1.9884 3.2357 3.2357 3.8422 3.8422 4.2136 4.2136 4.4259 4.4259 5.0377 5.0377 5.1630 5.1630 6.6350 6.6350 8.1062 8.1062 10.0440 10.0440 10.0610 10.0610 k = 0.4683 0.3437 0.4795 ( 6092 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7653 -24.7653 -24.7571 -24.7571 -8.6956 -8.6956 -8.5355 -8.5355 -8.3415 -8.3415 -8.2739 -8.2739 -8.1667 -8.1667 -8.1407 -8.1407 -7.5385 -7.5385 -1.5741 -1.5741 1.7456 1.7456 1.9856 1.9856 3.2364 3.2364 3.8431 3.8431 4.2142 4.2142 4.4267 4.4267 5.0371 5.0371 5.1621 5.1621 6.6460 6.6460 8.0800 8.0800 10.0523 10.0523 10.0690 10.0690 k = 0.4603 0.3574 0.4795 ( 6092 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7652 -24.7652 -24.7572 -24.7572 -8.6950 -8.6950 -8.5355 -8.5355 -8.3488 -8.3488 -8.2685 -8.2685 -8.1692 -8.1692 -8.1381 -8.1381 -7.5375 -7.5375 -1.5735 -1.5735 1.7487 1.7487 1.9821 1.9821 3.2373 3.2373 3.8443 3.8443 4.2149 4.2149 4.4278 4.4278 5.0364 5.0364 5.1610 5.1610 6.6601 6.6601 8.0474 8.0474 10.0627 10.0627 10.0782 10.0782 k = 0.4524 0.3712 0.4795 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7651 -24.7651 -24.7573 -24.7573 -8.6942 -8.6942 -8.5355 -8.5355 -8.3563 -8.3563 -8.2634 -8.2634 -8.1717 -8.1717 -8.1354 -8.1354 -7.5363 -7.5363 -1.5728 -1.5728 1.7524 1.7524 1.9778 1.9778 3.2384 3.2384 3.8456 3.8456 4.2158 4.2158 4.4291 4.4291 5.0355 5.0355 5.1597 5.1597 6.6772 6.6772 8.0090 8.0090 10.0749 10.0749 10.0879 10.0879 k = 0.4444 0.3849 0.4795 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7650 -24.7650 -24.7574 -24.7574 -8.6934 -8.6934 -8.5355 -8.5355 -8.3638 -8.3638 -8.2585 -8.2585 -8.1741 -8.1741 -8.1329 -8.1329 -7.5349 -7.5349 -1.5721 -1.5721 1.7567 1.7567 1.9729 1.9729 3.2395 3.2395 3.8471 3.8471 4.2168 4.2168 4.4307 4.4307 5.0345 5.0345 5.1583 5.1583 6.6970 6.6970 7.9656 7.9656 10.0885 10.0885 10.0975 10.0975 k = 0.4365 0.3986 0.4795 ( 6106 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7648 -24.7648 -24.7576 -24.7576 -8.6925 -8.6925 -8.5356 -8.5356 -8.3713 -8.3713 -8.2541 -8.2541 -8.1764 -8.1764 -8.1304 -8.1304 -7.5335 -7.5335 -1.5712 -1.5712 1.7616 1.7616 1.9675 1.9675 3.2409 3.2409 3.8487 3.8487 4.2179 4.2179 4.4325 4.4325 5.0335 5.0335 5.1567 5.1567 6.7197 6.7197 7.9180 7.9180 10.1024 10.1024 10.1072 10.1072 k = 0.4286 0.4124 0.4795 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7646 -24.7646 -24.7577 -24.7577 -8.6915 -8.6915 -8.5356 -8.5356 -8.3785 -8.3785 -8.2500 -8.2500 -8.1785 -8.1785 -8.1280 -8.1280 -7.5319 -7.5319 -1.5703 -1.5703 1.7670 1.7670 1.9614 1.9614 3.2422 3.2422 3.8504 3.8504 4.2192 4.2192 4.4346 4.4346 5.0325 5.0325 5.1551 5.1551 6.7450 6.7450 7.8668 7.8668 10.1121 10.1121 10.1205 10.1205 k = 0.4206 0.4261 0.4795 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7644 -24.7644 -24.7579 -24.7579 -8.6905 -8.6905 -8.5357 -8.5357 -8.3854 -8.3854 -8.2464 -8.2464 -8.1805 -8.1805 -8.1257 -8.1257 -7.5302 -7.5302 -1.5693 -1.5693 1.7728 1.7728 1.9549 1.9549 3.2437 3.2437 3.8520 3.8520 4.2204 4.2204 4.4370 4.4370 5.0314 5.0314 5.1534 5.1534 6.7727 6.7727 7.8128 7.8128 10.1184 10.1184 10.1359 10.1359 k = 0.4127 0.4399 0.4795 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7642 -24.7642 -24.7581 -24.7581 -8.6895 -8.6895 -8.5358 -8.5358 -8.3920 -8.3920 -8.2432 -8.2432 -8.1822 -8.1822 -8.1236 -8.1236 -7.5285 -7.5285 -1.5684 -1.5684 1.7791 1.7791 1.9479 1.9479 3.2452 3.2452 3.8537 3.8537 4.2218 4.2218 4.4396 4.4396 5.0303 5.0303 5.1517 5.1517 6.8029 6.8029 7.7567 7.7567 10.1231 10.1231 10.1511 10.1511 k = 0.4048 0.4536 0.4795 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7639 -24.7639 -24.7583 -24.7583 -8.6886 -8.6886 -8.5359 -8.5359 -8.3981 -8.3981 -8.2404 -8.2404 -8.1838 -8.1838 -8.1217 -8.1217 -7.5267 -7.5267 -1.5674 -1.5674 1.7857 1.7857 1.9407 1.9407 3.2467 3.2467 3.8553 3.8553 4.2231 4.2231 4.4424 4.4424 5.0293 5.0293 5.1500 5.1500 6.8352 6.8352 7.6991 7.6991 10.1266 10.1266 10.1652 10.1652 k = 0.3968 0.4674 0.4795 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7637 -24.7637 -24.7586 -24.7586 -8.6876 -8.6876 -8.5360 -8.5360 -8.4038 -8.4038 -8.2381 -8.2381 -8.1851 -8.1851 -8.1199 -8.1199 -7.5250 -7.5250 -1.5664 -1.5664 1.7926 1.7926 1.9332 1.9332 3.2481 3.2481 3.8568 3.8568 4.2244 4.2244 4.4453 4.4453 5.0284 5.0284 5.1483 5.1483 6.8696 6.8696 7.6408 7.6408 10.1292 10.1292 10.1776 10.1776 k = 0.3889 0.4811 0.4795 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7634 -24.7634 -24.7588 -24.7588 -8.6868 -8.6868 -8.5362 -8.5362 -8.4089 -8.4089 -8.2361 -8.2361 -8.1863 -8.1863 -8.1184 -8.1184 -7.5234 -7.5234 -1.5654 -1.5654 1.7997 1.7997 1.9255 1.9255 3.2495 3.2495 3.8582 3.8582 4.2257 4.2257 4.4484 4.4484 5.0276 5.0276 5.1467 5.1467 6.9058 6.9058 7.5822 7.5822 10.1315 10.1315 10.1876 10.1876 k = 0.3810 0.4949 0.4795 ( 6116 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7631 -24.7631 -24.7591 -24.7591 -8.6861 -8.6861 -8.5363 -8.5363 -8.4134 -8.4134 -8.2346 -8.2346 -8.1872 -8.1872 -8.1170 -8.1170 -7.5218 -7.5218 -1.5646 -1.5646 1.8068 1.8068 1.9179 1.9179 3.2508 3.2508 3.8594 3.8594 4.2269 4.2269 4.4514 4.4514 5.0268 5.0268 5.1452 5.1452 6.9438 6.9438 7.5239 7.5239 10.1338 10.1338 10.1947 10.1947 k = 0.3730 0.5086 0.4795 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7628 -24.7628 -24.7594 -24.7594 -8.6855 -8.6855 -8.5364 -8.5364 -8.4172 -8.4172 -8.2334 -8.2334 -8.1879 -8.1879 -8.1159 -8.1159 -7.5204 -7.5204 -1.5638 -1.5638 1.8139 1.8139 1.9104 1.9104 3.2520 3.2520 3.8605 3.8605 4.2280 4.2280 4.4544 4.4544 5.0262 5.0262 5.1439 5.1439 6.9832 6.9832 7.4666 7.4666 10.1367 10.1367 10.1986 10.1986 k = 0.3651 0.5224 0.4795 ( 6098 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7625 -24.7625 -24.7597 -24.7597 -8.6850 -8.6850 -8.5366 -8.5366 -8.4204 -8.4204 -8.2325 -8.2325 -8.1884 -8.1884 -8.1149 -8.1149 -7.5192 -7.5192 -1.5631 -1.5631 1.8207 1.8207 1.9032 1.9032 3.2530 3.2530 3.8614 3.8614 4.2290 4.2290 4.4572 4.4572 5.0257 5.0257 5.1428 5.1428 7.0239 7.0239 7.4107 7.4107 10.1406 10.1406 10.1993 10.1993 k = 0.3571 0.5361 0.4795 ( 6098 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7621 -24.7621 -24.7600 -24.7600 -8.6846 -8.6846 -8.5367 -8.5367 -8.4229 -8.4229 -8.2319 -8.2319 -8.1888 -8.1888 -8.1142 -8.1142 -7.5181 -7.5181 -1.5625 -1.5625 1.8269 1.8269 1.8966 1.8966 3.2539 3.2539 3.8621 3.8621 4.2297 4.2297 4.4596 4.4596 5.0254 5.0254 5.1418 5.1418 7.0653 7.0653 7.3570 7.3570 10.1458 10.1458 10.1966 10.1966 k = 0.3492 0.5499 0.4795 ( 6098 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7618 -24.7618 -24.7603 -24.7603 -8.6844 -8.6844 -8.5368 -8.5368 -8.4246 -8.4246 -8.2315 -8.2315 -8.1890 -8.1890 -8.1137 -8.1137 -7.5174 -7.5174 -1.5621 -1.5621 1.8322 1.8322 1.8911 1.8911 3.2545 3.2545 3.8625 3.8625 4.2303 4.2303 4.4616 4.4616 5.0251 5.0251 5.1411 5.1411 7.1069 7.1069 7.3064 7.3064 10.1525 10.1525 10.1910 10.1910 k = 0.3413 0.5636 0.4795 ( 6098 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7614 -24.7614 -24.7607 -24.7607 -8.6843 -8.6843 -8.5368 -8.5368 -8.4257 -8.4257 -8.2313 -8.2313 -8.1891 -8.1891 -8.1134 -8.1134 -7.5169 -7.5169 -1.5618 -1.5618 1.8358 1.8358 1.8874 1.8874 3.2549 3.2549 3.8628 3.8628 4.2306 4.2306 4.4628 4.4628 5.0250 5.0250 5.1407 5.1407 7.1461 7.1461 7.2618 7.2618 10.1611 10.1611 10.1826 10.1826 k = 0.3333 0.5774 0.4795 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7610 -24.7610 -8.6843 -8.6843 -8.5368 -8.5368 -8.4260 -8.4260 -8.2313 -8.2313 -8.1892 -8.1892 -8.1133 -8.1133 -7.5167 -7.5167 -1.5617 -1.5617 1.8371 1.8371 1.8860 1.8860 3.2551 3.2551 3.8629 3.8629 4.2308 4.2308 4.4633 4.4633 5.0250 5.0250 5.1406 5.1406 7.1681 7.1681 7.2378 7.2378 10.1706 10.1706 10.1731 10.1731 k = 0.3333 0.5774 0.4795 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7610 -24.7610 -8.6843 -8.6843 -8.5368 -8.5368 -8.4260 -8.4260 -8.2313 -8.2313 -8.1892 -8.1892 -8.1133 -8.1133 -7.5167 -7.5167 -1.5617 -1.5617 1.8371 1.8371 1.8860 1.8860 3.2551 3.2551 3.8629 3.8629 4.2308 4.2308 4.4633 4.4633 5.0250 5.0250 5.1406 5.1406 7.1681 7.1681 7.2378 7.2378 10.1706 10.1706 10.1731 10.1731 k = 0.3254 0.5636 0.4795 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7614 -24.7614 -24.7607 -24.7607 -8.6843 -8.6843 -8.5368 -8.5368 -8.4257 -8.4257 -8.2313 -8.2313 -8.1891 -8.1891 -8.1134 -8.1134 -7.5169 -7.5169 -1.5618 -1.5618 1.8359 1.8359 1.8873 1.8873 3.2549 3.2549 3.8628 3.8628 4.2306 4.2306 4.4628 4.4628 5.0250 5.0250 5.1407 5.1407 7.1472 7.1472 7.2607 7.2607 10.1592 10.1592 10.1847 10.1847 k = 0.3175 0.5499 0.4795 ( 6098 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7618 -24.7618 -24.7603 -24.7603 -8.6843 -8.6843 -8.5367 -8.5367 -8.4247 -8.4247 -8.2315 -8.2315 -8.1890 -8.1890 -8.1137 -8.1137 -7.5174 -7.5174 -1.5621 -1.5621 1.8327 1.8327 1.8906 1.8906 3.2545 3.2545 3.8626 3.8626 4.2303 4.2303 4.4611 4.4611 5.0251 5.0251 5.1412 5.1412 7.1123 7.1123 7.3014 7.3014 10.1450 10.1450 10.1998 10.1998 k = 0.3095 0.5361 0.4795 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7622 -24.7622 -24.7599 -24.7599 -8.6844 -8.6844 -8.5366 -8.5366 -8.4231 -8.4231 -8.2317 -8.2317 -8.1889 -8.1889 -8.1142 -8.1142 -7.5184 -7.5184 -1.5626 -1.5626 1.8283 1.8283 1.8953 1.8953 3.2537 3.2537 3.8621 3.8621 4.2296 4.2296 4.4582 4.4582 5.0252 5.0252 5.1419 5.1419 7.0781 7.0781 7.3455 7.3455 10.1294 10.1294 10.2171 10.2171 k = 0.3016 0.5224 0.4795 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7626 -24.7626 -24.7595 -24.7595 -8.6843 -8.6843 -8.5364 -8.5364 -8.4209 -8.4209 -8.2320 -8.2320 -8.1887 -8.1887 -8.1148 -8.1148 -7.5198 -7.5198 -1.5634 -1.5634 1.8233 1.8233 1.9006 1.9006 3.2526 3.2526 3.8616 3.8616 4.2287 4.2287 4.4538 4.4538 5.0254 5.0254 5.1429 5.1429 7.0471 7.0471 7.3905 7.3905 10.1128 10.1128 10.2365 10.2365 k = 0.2937 0.5086 0.4795 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7630 -24.7630 -24.7591 -24.7591 -8.6842 -8.6842 -8.5361 -8.5361 -8.4181 -8.4181 -8.2324 -8.2324 -8.1885 -8.1885 -8.1156 -8.1156 -7.5216 -7.5216 -1.5644 -1.5644 1.8183 1.8183 1.9061 1.9061 3.2511 3.2511 3.8610 3.8610 4.2275 4.2275 4.4478 4.4478 5.0256 5.0256 5.1441 5.1441 7.0202 7.0202 7.4355 7.4355 10.0952 10.0952 10.2579 10.2579 k = 0.2857 0.4949 0.4795 ( 6092 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7635 -24.7635 -24.7588 -24.7588 -8.6839 -8.6839 -8.5357 -8.5357 -8.4149 -8.4149 -8.2328 -8.2328 -8.1882 -8.1882 -8.1165 -8.1165 -7.5239 -7.5239 -1.5656 -1.5656 1.8134 1.8134 1.9115 1.9115 3.2492 3.2492 3.8603 3.8603 4.2261 4.2261 4.4403 4.4403 5.0258 5.0258 5.1455 5.1455 6.9976 6.9976 7.4802 7.4802 10.0769 10.0769 10.2808 10.2808 k = 0.2778 0.4811 0.4795 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7639 -24.7639 -24.7584 -24.7584 -8.6834 -8.6834 -8.5353 -8.5353 -8.4112 -8.4112 -8.2333 -8.2333 -8.1879 -8.1879 -8.1175 -8.1175 -7.5267 -7.5267 -1.5671 -1.5671 1.8087 1.8087 1.9168 1.9168 3.2470 3.2470 3.8595 3.8595 4.2243 4.2243 4.4312 4.4312 5.0260 5.0260 5.1471 5.1471 6.9797 6.9797 7.5241 7.5241 10.0577 10.0577 10.3042 10.3042 k = 0.2698 0.4674 0.4795 ( 6084 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7643 -24.7643 -24.7580 -24.7580 -8.6827 -8.6827 -8.5347 -8.5347 -8.4071 -8.4071 -8.2338 -8.2338 -8.1875 -8.1875 -8.1187 -8.1187 -7.5300 -7.5300 -1.5688 -1.5688 1.8045 1.8045 1.9218 1.9218 3.2443 3.2443 3.8586 3.8586 4.2223 4.2223 4.4205 4.4205 5.0262 5.0262 5.1489 5.1489 6.9665 6.9665 7.5671 7.5671 10.0377 10.0377 10.3263 10.3263 k = 0.2619 0.4536 0.4795 ( 6092 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7648 -24.7648 -24.7576 -24.7576 -8.6817 -8.6817 -8.5340 -8.5340 -8.4027 -8.4027 -8.2344 -8.2344 -8.1871 -8.1871 -8.1200 -8.1200 -7.5337 -7.5337 -1.5708 -1.5708 1.8008 1.8008 1.9264 1.9264 3.2413 3.2413 3.8576 3.8576 4.2198 4.2198 4.4081 4.4081 5.0264 5.0264 5.1507 5.1507 6.9581 6.9581 7.6087 7.6087 10.0168 10.0168 10.3439 10.3439 k = 0.2540 0.4399 0.4795 ( 6094 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7652 -24.7652 -24.7572 -24.7572 -8.6804 -8.6804 -8.5332 -8.5332 -8.3980 -8.3980 -8.2351 -8.2351 -8.1866 -8.1866 -8.1213 -8.1213 -7.5380 -7.5380 -1.5730 -1.5730 1.7976 1.7976 1.9306 1.9306 3.2378 3.2378 3.8567 3.8567 4.2169 4.2169 4.3943 4.3943 5.0267 5.0267 5.1525 5.1525 6.9545 6.9545 7.6489 7.6489 9.9948 9.9948 10.3525 10.3525 k = 0.2460 0.4261 0.4795 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7657 -24.7657 -24.7568 -24.7568 -8.6789 -8.6789 -8.5322 -8.5322 -8.3931 -8.3931 -8.2358 -8.2358 -8.1861 -8.1861 -8.1228 -8.1228 -7.5427 -7.5427 -1.5755 -1.5755 1.7949 1.7949 1.9343 1.9343 3.2339 3.2339 3.8557 3.8557 4.2136 4.2136 4.3793 4.3793 5.0270 5.0270 5.1544 5.1544 6.9557 6.9557 7.6874 7.6874 9.9715 9.9715 10.3494 10.3494 k = 0.2381 0.4124 0.4795 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7661 -24.7661 -24.7564 -24.7564 -8.6769 -8.6769 -8.5311 -8.5311 -8.3880 -8.3880 -8.2366 -8.2366 -8.1855 -8.1855 -8.1243 -8.1243 -7.5480 -7.5480 -1.5782 -1.5782 1.7928 1.7928 1.9376 1.9376 3.2297 3.2297 3.8546 3.8546 4.2097 4.2097 4.3631 4.3631 5.0274 5.0274 5.1563 5.1563 6.9615 6.9615 7.7239 7.7239 9.9467 9.9467 10.3365 10.3365 k = 0.2302 0.3986 0.4795 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7666 -24.7666 -24.7561 -24.7561 -8.6747 -8.6747 -8.5299 -8.5299 -8.3827 -8.3827 -8.2374 -8.2374 -8.1849 -8.1849 -8.1259 -8.1259 -7.5537 -7.5537 -1.5811 -1.5811 1.7914 1.7914 1.9403 1.9403 3.2250 3.2250 3.8535 3.8535 4.2050 4.2050 4.3461 4.3461 5.0278 5.0278 5.1581 5.1581 6.9717 6.9717 7.7582 7.7582 9.9201 9.9201 10.3177 10.3177 k = 0.2222 0.3849 0.4795 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7670 -24.7670 -24.7557 -24.7557 -8.6720 -8.6720 -8.5285 -8.5285 -8.3774 -8.3774 -8.2382 -8.2382 -8.1842 -8.1842 -8.1275 -8.1275 -7.5599 -7.5599 -1.5843 -1.5843 1.7906 1.7906 1.9426 1.9426 3.2199 3.2199 3.8525 3.8525 4.1995 4.1995 4.3287 4.3287 5.0283 5.0283 5.1599 5.1599 6.9863 6.9863 7.7901 7.7901 9.8916 9.8916 10.2959 10.2959 k = 0.2143 0.3712 0.4795 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7675 -24.7675 -24.7553 -24.7553 -8.6691 -8.6691 -8.5269 -8.5269 -8.3720 -8.3720 -8.2391 -8.2391 -8.1835 -8.1835 -8.1291 -8.1291 -7.5666 -7.5666 -1.5876 -1.5876 1.7904 1.7904 1.9444 1.9444 3.2144 3.2144 3.8514 3.8514 4.1927 4.1927 4.3113 4.3113 5.0288 5.0288 5.1617 5.1617 7.0049 7.0049 7.8195 7.8195 9.8609 9.8609 10.2726 10.2726 k = 0.2063 0.3574 0.4795 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7679 -24.7679 -24.7550 -24.7550 -8.6657 -8.6657 -8.5252 -8.5252 -8.3665 -8.3665 -8.2400 -8.2400 -8.1828 -8.1828 -8.1308 -8.1308 -7.5737 -7.5737 -1.5912 -1.5912 1.7908 1.7908 1.9457 1.9457 3.2085 3.2085 3.8504 3.8504 4.1842 4.1842 4.2947 4.2947 5.0294 5.0294 5.1634 5.1634 7.0273 7.0273 7.8462 7.8462 9.8279 9.8279 10.2487 10.2487 k = 0.1984 0.3437 0.4795 ( 6118 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7684 -24.7684 -24.7546 -24.7546 -8.6620 -8.6620 -8.5233 -8.5233 -8.3612 -8.3612 -8.2408 -8.2408 -8.1821 -8.1821 -8.1326 -8.1326 -7.5813 -7.5813 -1.5949 -1.5949 1.7919 1.7919 1.9465 1.9465 3.2022 3.2022 3.8493 3.8493 4.1737 4.1737 4.2793 4.2793 5.0301 5.0301 5.1650 5.1650 7.0532 7.0532 7.8703 7.8703 9.7927 9.7927 10.2246 10.2246 k = 0.1905 0.3299 0.4795 ( 6122 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7688 -24.7688 -24.7543 -24.7543 -8.6580 -8.6580 -8.5213 -8.5213 -8.3559 -8.3559 -8.2416 -8.2416 -8.1813 -8.1813 -8.1343 -8.1343 -7.5892 -7.5892 -1.5987 -1.5987 1.7935 1.7935 1.9468 1.9468 3.1956 3.1956 3.8483 3.8483 4.1608 4.1608 4.2658 4.2658 5.0310 5.0310 5.1667 5.1667 7.0825 7.0825 7.8915 7.8915 9.7553 9.7553 10.2004 10.2004 k = 0.1825 0.3162 0.4795 ( 6122 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7692 -24.7692 -24.7540 -24.7540 -8.6537 -8.6537 -8.5191 -8.5191 -8.3507 -8.3507 -8.2423 -8.2423 -8.1805 -8.1805 -8.1361 -8.1361 -7.5975 -7.5975 -1.6027 -1.6027 1.7958 1.7958 1.9468 1.9468 3.1887 3.1887 3.8473 3.8473 4.1454 4.1454 4.2545 4.2545 5.0319 5.0319 5.1683 5.1683 7.1147 7.1147 7.9099 7.9099 9.7159 9.7159 10.1763 10.1763 k = 0.1746 0.3024 0.4795 ( 6124 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7697 -24.7697 -24.7537 -24.7537 -8.6490 -8.6490 -8.5167 -8.5167 -8.3457 -8.3457 -8.2429 -8.2429 -8.1797 -8.1797 -8.1378 -8.1378 -7.6062 -7.6062 -1.6068 -1.6068 1.7986 1.7986 1.9464 1.9464 3.1814 3.1814 3.8464 3.8464 4.1279 4.1279 4.2451 4.2451 5.0329 5.0329 5.1699 5.1699 7.1496 7.1496 7.9256 7.9256 9.6748 9.6748 10.1523 10.1523 k = 0.1667 0.2887 0.4795 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7701 -24.7701 -24.7533 -24.7533 -8.6441 -8.6441 -8.5141 -8.5141 -8.3408 -8.3408 -8.2434 -8.2434 -8.1789 -8.1789 -8.1396 -8.1396 -7.6151 -7.6151 -1.6110 -1.6110 1.8019 1.8019 1.9456 1.9456 3.1739 3.1739 3.8454 3.8454 4.1086 4.1086 4.2376 4.2376 5.0340 5.0340 5.1716 5.1716 7.1869 7.1869 7.9386 7.9386 9.6323 9.6323 10.1283 10.1283 k = 0.1587 0.2749 0.4795 ( 6116 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7705 -24.7705 -24.7531 -24.7531 -8.6390 -8.6390 -8.5114 -8.5114 -8.3363 -8.3363 -8.2438 -8.2438 -8.1782 -8.1782 -8.1414 -8.1414 -7.6243 -7.6243 -1.6152 -1.6152 1.8057 1.8057 1.9445 1.9445 3.1662 3.1662 3.8445 3.8445 4.0883 4.0883 4.2313 4.2313 5.0351 5.0351 5.1732 5.1732 7.2263 7.2263 7.9491 7.9491 9.5887 9.5887 10.1043 10.1043 k = 0.1508 0.2612 0.4795 ( 6112 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7709 -24.7709 -24.7528 -24.7528 -8.6337 -8.6337 -8.5086 -8.5086 -8.3320 -8.3320 -8.2440 -8.2440 -8.1774 -8.1774 -8.1431 -8.1431 -7.6338 -7.6338 -1.6195 -1.6195 1.8100 1.8100 1.9431 1.9431 3.1582 3.1582 3.8437 3.8437 4.0673 4.0673 4.2262 4.2262 5.0364 5.0364 5.1748 5.1748 7.2675 7.2675 7.9571 7.9571 9.5445 9.5445 10.0803 10.0803 k = 0.1429 0.2474 0.4795 ( 6116 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7713 -24.7713 -24.7525 -24.7525 -8.6283 -8.6283 -8.5056 -8.5056 -8.3281 -8.3281 -8.2439 -8.2439 -8.1767 -8.1767 -8.1447 -8.1447 -7.6434 -7.6434 -1.6238 -1.6238 1.8145 1.8145 1.9415 1.9415 3.1501 3.1501 3.8428 3.8428 4.0460 4.0460 4.2217 4.2217 5.0377 5.0377 5.1763 5.1763 7.3102 7.3102 7.9629 7.9629 9.5000 9.5000 10.0562 10.0562 k = 0.1349 0.2337 0.4795 ( 6130 PWs) bands (ev): -77.8821 -77.8821 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7716 -24.7716 -24.7523 -24.7523 -8.6228 -8.6228 -8.5024 -8.5024 -8.3246 -8.3246 -8.2436 -8.2436 -8.1761 -8.1761 -8.1463 -8.1463 -7.6531 -7.6531 -1.6280 -1.6280 1.8194 1.8194 1.9397 1.9397 3.1419 3.1419 3.8419 3.8419 4.0249 4.0249 4.2178 4.2178 5.0390 5.0390 5.1779 5.1779 7.3541 7.3541 7.9667 7.9667 9.4557 9.4557 10.0320 10.0320 k = 0.1270 0.2199 0.4795 ( 6122 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7720 -24.7720 -24.7520 -24.7520 -8.6173 -8.6173 -8.4991 -8.4991 -8.3215 -8.3215 -8.2429 -8.2429 -8.1757 -8.1757 -8.1478 -8.1478 -7.6628 -7.6628 -1.6322 -1.6322 1.8245 1.8245 1.9378 1.9378 3.1336 3.1336 3.8412 3.8412 4.0042 4.0042 4.2145 4.2145 5.0404 5.0404 5.1795 5.1795 7.3988 7.3988 7.9687 7.9687 9.4119 9.4119 10.0075 10.0075 k = 0.1190 0.2062 0.4795 ( 6126 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7723 -24.7723 -24.7518 -24.7518 -8.6118 -8.6118 -8.4957 -8.4957 -8.3188 -8.3188 -8.2420 -8.2420 -8.1754 -8.1754 -8.1492 -8.1492 -7.6725 -7.6725 -1.6364 -1.6364 1.8297 1.8297 1.9359 1.9359 3.1253 3.1253 3.8404 3.8404 3.9840 3.9840 4.2115 4.2115 5.0418 5.0418 5.1811 5.1811 7.4440 7.4440 7.9692 7.9692 9.3691 9.3691 9.9829 9.9829 k = 0.1111 0.1925 0.4795 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7727 -24.7727 -24.7516 -24.7516 -8.6063 -8.6063 -8.4922 -8.4922 -8.3165 -8.3165 -8.2408 -8.2408 -8.1753 -8.1753 -8.1503 -8.1503 -7.6822 -7.6822 -1.6404 -1.6404 1.8350 1.8350 1.9340 1.9340 3.1171 3.1171 3.8397 3.8397 3.9646 3.9646 4.2089 4.2089 5.0432 5.0432 5.1826 5.1826 7.4895 7.4895 7.9683 7.9683 9.3275 9.3275 9.9581 9.9581 k = 0.1032 0.1787 0.4795 ( 6122 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7730 -24.7730 -24.7514 -24.7514 -8.6010 -8.6010 -8.4886 -8.4886 -8.3147 -8.3147 -8.2392 -8.2392 -8.1755 -8.1755 -8.1512 -8.1512 -7.6917 -7.6917 -1.6443 -1.6443 1.8402 1.8402 1.9321 1.9321 3.1090 3.1090 3.8390 3.8390 3.9461 3.9461 4.2065 4.2065 5.0446 5.0446 5.1841 5.1841 7.5347 7.5347 7.9664 7.9664 9.2874 9.2874 9.9331 9.9331 k = 0.0952 0.1650 0.4795 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7733 -24.7733 -24.7512 -24.7512 -8.5959 -8.5959 -8.4850 -8.4850 -8.3133 -8.3133 -8.2373 -8.2373 -8.1761 -8.1761 -8.1518 -8.1518 -7.7010 -7.7010 -1.6480 -1.6480 1.8453 1.8453 1.9304 1.9304 3.1011 3.1011 3.8383 3.8383 3.9286 3.9286 4.2044 4.2044 5.0461 5.0461 5.1857 5.1857 7.5793 7.5793 7.9637 7.9637 9.2493 9.2493 9.9081 9.9081 k = 0.0873 0.1512 0.4795 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7735 -24.7735 -24.7510 -24.7510 -8.5910 -8.5910 -8.4813 -8.4813 -8.3123 -8.3123 -8.2351 -8.2351 -8.1770 -8.1770 -8.1521 -8.1521 -7.7099 -7.7099 -1.6515 -1.6515 1.8501 1.8501 1.9290 1.9290 3.0935 3.0935 3.8377 3.8377 3.9123 3.9123 4.2025 4.2025 5.0474 5.0474 5.1870 5.1870 7.6228 7.6228 7.9605 7.9605 9.2132 9.2132 9.8832 9.8832 k = 0.0794 0.1375 0.4795 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7738 -24.7738 -24.7509 -24.7509 -8.5864 -8.5864 -8.4777 -8.4777 -8.3117 -8.3117 -8.2327 -8.2327 -8.1782 -8.1782 -8.1521 -8.1521 -7.7185 -7.7185 -1.6548 -1.6548 1.8546 1.8546 1.9277 1.9277 3.0862 3.0862 3.8371 3.8371 3.8971 3.8971 4.2008 4.2008 5.0487 5.0487 5.1884 5.1884 7.6648 7.6648 7.9571 7.9571 9.1795 9.1795 9.8585 9.8585 k = 0.0714 0.1237 0.4795 ( 6118 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7740 -24.7740 -24.7507 -24.7507 -8.5822 -8.5822 -8.4741 -8.4741 -8.3113 -8.3113 -8.2301 -8.2301 -8.1798 -8.1798 -8.1519 -8.1519 -7.7267 -7.7267 -1.6579 -1.6579 1.8586 1.8586 1.9269 1.9269 3.0793 3.0793 3.8365 3.8365 3.8832 3.8832 4.1993 4.1993 5.0499 5.0499 5.1896 5.1896 7.7047 7.7047 7.9537 7.9537 9.1484 9.1484 9.8344 9.8344 k = 0.0635 0.1100 0.4795 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7742 -24.7742 -24.7506 -24.7506 -8.5783 -8.5783 -8.4707 -8.4707 -8.3112 -8.3112 -8.2273 -8.2273 -8.1816 -8.1816 -8.1516 -8.1516 -7.7342 -7.7342 -1.6607 -1.6607 1.8621 1.8621 1.9264 1.9264 3.0729 3.0729 3.8361 3.8361 3.8706 3.8706 4.1981 4.1981 5.0511 5.0511 5.1908 5.1908 7.7419 7.7419 7.9507 7.9507 9.1201 9.1201 9.8111 9.8111 k = 0.0556 0.0962 0.4795 ( 6094 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7744 -24.7744 -24.7505 -24.7505 -8.5748 -8.5748 -8.4674 -8.4674 -8.3112 -8.3112 -8.2244 -8.2244 -8.1837 -8.1837 -8.1511 -8.1511 -7.7412 -7.7412 -1.6633 -1.6633 1.8650 1.8650 1.9262 1.9262 3.0670 3.0670 3.8356 3.8356 3.8595 3.8595 4.1970 4.1970 5.0522 5.0522 5.1919 5.1919 7.7756 7.7756 7.9485 7.9485 9.0948 9.0948 9.7891 9.7891 k = 0.0476 0.0825 0.4795 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7745 -24.7745 -24.7504 -24.7504 -8.5718 -8.5718 -8.4643 -8.4643 -8.3114 -8.3114 -8.2215 -8.2215 -8.1860 -8.1860 -8.1505 -8.1505 -7.7474 -7.7474 -1.6655 -1.6655 1.8674 1.8674 1.9264 1.9264 3.0618 3.0618 3.8351 3.8351 3.8498 3.8498 4.1960 4.1960 5.0531 5.0531 5.1929 5.1929 7.8051 7.8051 7.9475 7.9475 9.0725 9.0725 9.7687 9.7687 k = 0.0397 0.0687 0.4795 ( 6106 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7747 -24.7747 -24.7503 -24.7503 -8.5692 -8.5692 -8.4616 -8.4616 -8.3117 -8.3117 -8.2185 -8.2185 -8.1884 -8.1884 -8.1499 -8.1499 -7.7528 -7.7528 -1.6674 -1.6674 1.8691 1.8691 1.9268 1.9268 3.0572 3.0572 3.8344 3.8344 3.8418 3.8418 4.1952 4.1952 5.0539 5.0539 5.1937 5.1937 7.8295 7.8295 7.9481 7.9481 9.0534 9.0534 9.7503 9.7503 k = 0.0317 0.0550 0.4795 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7748 -24.7748 -24.7502 -24.7502 -8.5670 -8.5670 -8.4593 -8.4593 -8.3120 -8.3120 -8.2155 -8.2155 -8.1909 -8.1909 -8.1494 -8.1494 -7.7573 -7.7573 -1.6690 -1.6690 1.8704 1.8704 1.9273 1.9273 3.0534 3.0534 3.8323 3.8323 3.8367 3.8367 4.1945 4.1945 5.0546 5.0546 5.1944 5.1944 7.8483 7.8483 7.9505 7.9505 9.0377 9.0377 9.7345 9.7345 k = 0.0238 0.0412 0.4795 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7749 -24.7749 -24.7502 -24.7502 -8.5653 -8.5653 -8.4574 -8.4574 -8.3122 -8.3122 -8.2125 -8.2125 -8.1934 -8.1934 -8.1490 -8.1490 -7.7609 -7.7609 -1.6703 -1.6703 1.8714 1.8714 1.9279 1.9279 3.0504 3.0504 3.8281 3.8281 3.8353 3.8353 4.1940 4.1940 5.0551 5.0551 5.1949 5.1949 7.8613 7.8613 7.9545 7.9545 9.0254 9.0254 9.7216 9.7216 k = 0.0159 0.0275 0.4795 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7749 -24.7749 -24.7501 -24.7501 -8.5641 -8.5641 -8.4560 -8.4560 -8.3125 -8.3125 -8.2097 -8.2097 -8.1960 -8.1960 -8.1486 -8.1486 -7.7636 -7.7636 -1.6712 -1.6712 1.8719 1.8719 1.9284 1.9284 3.0482 3.0482 3.8245 3.8245 3.8349 3.8349 4.1937 4.1937 5.0555 5.0555 5.1953 5.1953 7.8693 7.8693 7.9589 7.9589 9.0165 9.0165 9.7122 9.7122 k = 0.0079 0.0137 0.4795 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7750 -24.7750 -24.7501 -24.7501 -8.5634 -8.5634 -8.4551 -8.4551 -8.3126 -8.3126 -8.2073 -8.2073 -8.1982 -8.1982 -8.1484 -8.1484 -7.7652 -7.7652 -1.6717 -1.6717 1.8723 1.8723 1.9287 1.9287 3.0469 3.0469 3.8223 3.8223 3.8347 3.8347 4.1935 4.1935 5.0557 5.0557 5.1955 5.1955 7.8735 7.8735 7.9623 7.9623 9.0112 9.0112 9.7064 9.7064 k = 0.0000 0.0000 0.4795 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7750 -24.7750 -24.7501 -24.7501 -8.5632 -8.5632 -8.4548 -8.4548 -8.3127 -8.3127 -8.2061 -8.2061 -8.1993 -8.1993 -8.1483 -8.1483 -7.7657 -7.7657 -1.6719 -1.6719 1.8724 1.8724 1.9288 1.9288 3.0465 3.0465 3.8216 3.8216 3.8348 3.8348 4.1934 4.1934 5.0558 5.0558 5.1956 5.1956 7.8747 7.8747 7.9635 7.9635 9.0094 9.0094 9.7044 9.7044 k = 0.5000 0.2887 0.4795 ( 6068 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7655 -24.7655 -24.7569 -24.7569 -8.6968 -8.6968 -8.5354 -8.5354 -8.3221 -8.3221 -8.2896 -8.2896 -8.1593 -8.1593 -8.1483 -8.1483 -7.5403 -7.5403 -1.5752 -1.5752 1.7400 1.7400 1.9921 1.9921 3.2348 3.2348 3.8411 3.8411 4.2129 4.2129 4.4249 4.4249 5.0386 5.0386 5.1641 5.1641 6.6207 6.6207 8.1410 8.1410 10.0330 10.0330 10.0495 10.0495 k = 0.5000 0.2887 0.4635 ( 6072 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7655 -24.7655 -24.7569 -24.7569 -8.6969 -8.6969 -8.5354 -8.5354 -8.3222 -8.3222 -8.2895 -8.2895 -8.1597 -8.1597 -8.1479 -8.1479 -7.5405 -7.5405 -1.5726 -1.5726 1.7411 1.7411 1.9933 1.9933 3.2287 3.2287 3.8410 3.8410 4.2130 4.2130 4.4260 4.4260 5.0330 5.0330 5.1583 5.1583 6.6274 6.6274 8.1459 8.1459 9.9969 9.9969 10.0809 10.0809 k = 0.5000 0.2887 0.4475 ( 6078 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7656 -24.7656 -24.7569 -24.7569 -8.6972 -8.6972 -8.5351 -8.5351 -8.3227 -8.3227 -8.2891 -8.2891 -8.1608 -8.1608 -8.1469 -8.1469 -7.5410 -7.5410 -1.5650 -1.5650 1.7445 1.7445 1.9969 1.9969 3.2106 3.2106 3.8407 3.8407 4.2134 4.2134 4.4293 4.4293 5.0166 5.0166 5.1412 5.1412 6.6469 6.6469 8.1607 8.1607 9.9493 9.9493 10.1147 10.1147 k = 0.5000 0.2887 0.4315 ( 6086 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7656 -24.7656 -24.7568 -24.7568 -8.6976 -8.6976 -8.5347 -8.5347 -8.3236 -8.3236 -8.2886 -8.2886 -8.1623 -8.1623 -8.1456 -8.1456 -7.5418 -7.5418 -1.5524 -1.5524 1.7500 1.7500 2.0031 2.0031 3.1810 3.1810 3.8403 3.8403 4.2139 4.2139 4.4345 4.4345 4.9898 4.9898 5.1139 5.1139 6.6781 6.6781 8.1851 8.1851 9.8973 9.8973 10.1440 10.1440 k = 0.5000 0.2887 0.4155 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7657 -24.7657 -24.7568 -24.7568 -8.6982 -8.6982 -8.5342 -8.5342 -8.3246 -8.3246 -8.2879 -8.2879 -8.1639 -8.1639 -8.1440 -8.1440 -7.5430 -7.5430 -1.5347 -1.5347 1.7578 1.7578 2.0117 2.0117 3.1405 3.1405 3.8397 3.8397 4.2145 4.2145 4.4408 4.4408 4.9536 4.9536 5.0778 5.0778 6.7194 6.7194 8.2184 8.2184 9.8416 9.8416 10.1680 10.1680 k = 0.5000 0.2887 0.3996 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7658 -24.7658 -24.7567 -24.7567 -8.6989 -8.6989 -8.5335 -8.5335 -8.3258 -8.3258 -8.2871 -8.2871 -8.1657 -8.1657 -8.1425 -8.1425 -7.5444 -7.5444 -1.5120 -1.5120 1.7678 1.7678 2.0227 2.0227 3.0901 3.0901 3.8389 3.8389 4.2151 4.2151 4.4475 4.4475 4.9093 4.9093 5.0344 5.0344 6.7687 6.7687 8.2601 8.2601 9.7832 9.7832 10.1860 10.1860 k = 0.5000 0.2887 0.3836 ( 6086 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7659 -24.7659 -24.7566 -24.7566 -8.6998 -8.6998 -8.5327 -8.5327 -8.3271 -8.3271 -8.2864 -8.2864 -8.1674 -8.1674 -8.1410 -8.1410 -7.5462 -7.5462 -1.4843 -1.4843 1.7800 1.7800 2.0361 2.0361 3.0304 3.0304 3.8378 3.8378 4.2155 4.2155 4.4533 4.4533 4.8591 4.8591 4.9849 4.9849 6.8242 6.8242 8.3094 8.3094 9.7228 9.7228 10.1973 10.1973 k = 0.5000 0.2887 0.3676 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7661 -24.7661 -24.7564 -24.7564 -8.7008 -8.7008 -8.5318 -8.5318 -8.3284 -8.3284 -8.2856 -8.2856 -8.1691 -8.1691 -8.1395 -8.1395 -7.5482 -7.5482 -1.4519 -1.4519 1.7943 1.7943 2.0520 2.0520 2.9624 2.9624 3.8364 3.8364 4.2156 4.2156 4.4565 4.4565 4.8053 4.8053 4.9304 4.9304 6.8842 6.8842 8.3656 8.3656 9.6614 9.6614 10.2020 10.2020 k = 0.5000 0.2887 0.3516 ( 6104 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7662 -24.7662 -24.7563 -24.7563 -8.7019 -8.7019 -8.5309 -8.5309 -8.3298 -8.3298 -8.2850 -8.2850 -8.1706 -8.1706 -8.1382 -8.1382 -7.5504 -7.5504 -1.4145 -1.4145 1.8107 1.8107 2.0702 2.0702 2.8871 2.8871 3.8347 3.8347 4.2154 4.2154 4.4542 4.4542 4.7518 4.7518 4.8718 4.8718 6.9470 6.9470 8.4277 8.4277 9.5997 9.5997 10.2018 10.2018 k = 0.5000 0.2887 0.3356 ( 6112 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7664 -24.7664 -24.7562 -24.7562 -8.7032 -8.7032 -8.5299 -8.5299 -8.3310 -8.3310 -8.2845 -8.2845 -8.1721 -8.1721 -8.1369 -8.1369 -7.5528 -7.5528 -1.3725 -1.3725 1.8292 1.8292 2.0909 2.0909 2.8051 2.8051 3.8326 3.8326 4.2149 4.2149 4.4424 4.4424 4.7030 4.7030 4.8104 4.8104 7.0113 7.0113 8.4950 8.4950 9.5386 9.5386 10.1987 10.1987 k = 0.5000 0.2887 0.3196 ( 6112 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7665 -24.7665 -24.7560 -24.7560 -8.7045 -8.7045 -8.5289 -8.5289 -8.3321 -8.3321 -8.2841 -8.2841 -8.1734 -8.1734 -8.1358 -8.1358 -7.5555 -7.5555 -1.3259 -1.3259 1.8498 1.8498 2.1138 2.1138 2.7172 2.7172 3.8301 3.8301 4.2138 4.2138 4.4164 4.4164 4.6629 4.6629 4.7486 4.7486 7.0759 7.0759 8.5667 8.5667 9.4786 9.4786 10.1950 10.1950 k = 0.5000 0.2887 0.3037 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7667 -24.7667 -24.7559 -24.7559 -8.7059 -8.7059 -8.5279 -8.5279 -8.3331 -8.3331 -8.2838 -8.2838 -8.1745 -8.1745 -8.1348 -8.1348 -7.5582 -7.5582 -1.2747 -1.2747 1.8723 1.8723 2.1390 2.1390 2.6242 2.6242 3.8271 3.8271 4.2117 4.2117 4.3745 4.3745 4.6277 4.6277 4.6938 4.6938 7.1398 7.1398 8.6420 8.6420 9.4203 9.4203 10.1924 10.1924 k = 0.5000 0.2887 0.2877 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7669 -24.7669 -24.7557 -24.7557 -8.7074 -8.7074 -8.5269 -8.5269 -8.3339 -8.3339 -8.2838 -8.2838 -8.1756 -8.1756 -8.1340 -8.1340 -7.5611 -7.5611 -1.2190 -1.2190 1.8967 1.8967 2.1664 2.1664 2.5267 2.5267 3.8234 3.8234 4.2073 4.2073 4.3208 4.3208 4.5788 4.5788 4.6628 4.6628 7.2020 7.2020 8.7202 8.7202 9.3641 9.3641 10.1920 10.1920 k = 0.5000 0.2887 0.2717 ( 6116 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7671 -24.7671 -24.7556 -24.7556 -8.7089 -8.7089 -8.5260 -8.5260 -8.3345 -8.3345 -8.2838 -8.2838 -8.1764 -8.1764 -8.1333 -8.1333 -7.5640 -7.5640 -1.1591 -1.1591 1.9228 1.9228 2.1958 2.1958 2.4257 2.4257 3.8190 3.8190 4.1951 4.1951 4.2657 4.2657 4.5150 4.5150 4.6532 4.6532 7.2619 7.2619 8.8006 8.8006 9.3104 9.3104 10.1949 10.1949 k = 0.5000 0.2887 0.2557 ( 6118 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7672 -24.7672 -24.7554 -24.7554 -8.7105 -8.7105 -8.5251 -8.5251 -8.3349 -8.3349 -8.2841 -8.2841 -8.1772 -8.1772 -8.1327 -8.1327 -7.5670 -7.5670 -1.0949 -1.0949 1.9502 1.9502 2.2256 2.2256 2.3233 2.3233 3.8135 3.8135 4.1560 4.1560 4.2318 4.2318 4.4465 4.4465 4.6526 4.6526 7.3187 7.3187 8.8825 8.8825 9.2595 9.2595 10.2015 10.2015 k = 0.5000 0.2887 0.2397 ( 6110 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7674 -24.7674 -24.7553 -24.7553 -8.7120 -8.7120 -8.5243 -8.5243 -8.3351 -8.3351 -8.2844 -8.2844 -8.1778 -8.1778 -8.1322 -8.1322 -7.5700 -7.5700 -1.0267 -1.0267 1.9779 1.9779 2.2067 2.2067 2.2702 2.2702 3.8064 3.8064 4.0923 4.0923 4.2186 4.2186 4.3784 4.3784 4.6557 4.6557 7.3719 7.3719 8.9652 8.9652 9.2117 9.2117 10.2124 10.2124 k = 0.5000 0.2887 0.2237 ( 6106 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7676 -24.7676 -24.7551 -24.7551 -8.7136 -8.7136 -8.5236 -8.5236 -8.3351 -8.3351 -8.2849 -8.2849 -8.1783 -8.1783 -8.1318 -8.1318 -7.5730 -7.5730 -0.9546 -0.9546 1.9998 1.9998 2.1100 2.1100 2.3020 2.3020 3.7968 3.7968 4.0222 4.0222 4.2068 4.2068 4.3150 4.3150 4.6604 4.6604 7.4212 7.4212 9.0477 9.0477 9.1676 9.1676 10.2277 10.2277 k = 0.5000 0.2887 0.2078 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7678 -24.7678 -24.7550 -24.7550 -8.7152 -8.7152 -8.5230 -8.5230 -8.3349 -8.3349 -8.2855 -8.2855 -8.1787 -8.1787 -8.1315 -8.1315 -7.5759 -7.5759 -0.8787 -0.8787 1.9615 1.9615 2.0689 2.0689 2.3396 2.3396 3.7833 3.7833 3.9522 3.9522 4.1828 4.1828 4.2671 4.2671 4.6659 4.6659 7.4662 7.4662 9.1136 9.1136 9.1433 9.1433 10.2475 10.2475 k = 0.5000 0.2887 0.1918 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7679 -24.7679 -24.7548 -24.7548 -8.7167 -8.7167 -8.5225 -8.5225 -8.3346 -8.3346 -8.2862 -8.2862 -8.1791 -8.1791 -8.1313 -8.1313 -7.5788 -7.5788 -0.7992 -0.7992 1.8574 1.8574 2.0929 2.0929 2.3795 2.3795 3.7626 3.7626 3.8862 3.8862 4.1373 4.1373 4.2444 4.2444 4.6715 4.6715 7.5067 7.5067 9.0843 9.0843 9.2165 9.2165 10.2718 10.2718 k = 0.5000 0.2887 0.1758 ( 6100 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7681 -24.7681 -24.7547 -24.7547 -8.7182 -8.7182 -8.5220 -8.5220 -8.3340 -8.3340 -8.2869 -8.2869 -8.1794 -8.1794 -8.1312 -8.1312 -7.5815 -7.5815 -0.7163 -0.7163 1.7436 1.7436 2.1263 2.1263 2.4214 2.4214 3.7293 3.7293 3.8290 3.8290 4.0834 4.0834 4.2356 4.2356 4.6770 4.6770 7.5428 7.5428 9.0501 9.0501 9.2968 9.2968 10.3003 10.3003 k = 0.5000 0.2887 0.1598 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7682 -24.7682 -24.7546 -24.7546 -8.7196 -8.7196 -8.5217 -8.5217 -8.3333 -8.3333 -8.2876 -8.2876 -8.1796 -8.1796 -8.1312 -8.1312 -7.5841 -7.5841 -0.6302 -0.6302 1.6271 1.6271 2.1622 2.1622 2.4649 2.4649 3.6802 3.6802 3.7825 3.7825 4.0327 4.0327 4.2314 4.2314 4.6823 4.6823 7.5743 7.5743 9.0187 9.0187 9.3754 9.3754 10.3325 10.3325 k = 0.5000 0.2887 0.1438 ( 6112 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7683 -24.7683 -24.7545 -24.7545 -8.7209 -8.7209 -8.5214 -8.5214 -8.3326 -8.3326 -8.2884 -8.2884 -8.1798 -8.1798 -8.1311 -8.1311 -7.5865 -7.5865 -0.5410 -0.5410 1.5096 1.5096 2.1992 2.1992 2.5098 2.5098 3.6210 3.6210 3.7395 3.7395 3.9902 3.9902 4.2289 4.2289 4.6872 4.6872 7.6016 7.6016 8.9905 8.9905 9.4513 9.4513 10.3679 10.3679 k = 0.5000 0.2887 0.1279 ( 6106 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7684 -24.7684 -24.7544 -24.7544 -8.7221 -8.7221 -8.5212 -8.5212 -8.3318 -8.3318 -8.2891 -8.2891 -8.1800 -8.1800 -8.1312 -8.1312 -7.5887 -7.5887 -0.4491 -0.4491 1.3917 1.3917 2.2366 2.2366 2.5559 2.5559 3.5588 3.5588 3.6935 3.6935 3.9578 3.9578 4.2272 4.2272 4.6916 4.6916 7.6248 7.6248 8.9656 8.9656 9.5238 9.5238 10.4055 10.4055 k = 0.5000 0.2887 0.1119 ( 6118 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7685 -24.7685 -24.7543 -24.7543 -8.7233 -8.7233 -8.5211 -8.5211 -8.3309 -8.3309 -8.2898 -8.2898 -8.1802 -8.1802 -8.1312 -8.1312 -7.5908 -7.5908 -0.3548 -0.3548 1.2740 1.2740 2.2739 2.2739 2.6026 2.6026 3.4974 3.4974 3.6428 3.6428 3.9345 3.9345 4.2260 4.2260 4.6956 4.6956 7.6441 7.6441 8.9438 8.9438 9.5918 9.5918 10.4441 10.4441 k = 0.5000 0.2887 0.0959 ( 6122 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7686 -24.7686 -24.7542 -24.7542 -8.7243 -8.7243 -8.5210 -8.5210 -8.3301 -8.3301 -8.2905 -8.2905 -8.1804 -8.1804 -8.1313 -8.1313 -7.5926 -7.5926 -0.2585 -0.2585 1.1572 1.1572 2.3101 2.3101 2.6496 2.6496 3.4388 3.4388 3.5895 3.5895 3.9184 3.9184 4.2251 4.2251 4.6990 4.6990 7.6600 7.6600 8.9252 8.9252 9.6545 9.6545 10.4826 10.4826 k = 0.5000 0.2887 0.0799 ( 6124 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7687 -24.7687 -24.7542 -24.7542 -8.7252 -8.7252 -8.5209 -8.5209 -8.3293 -8.3293 -8.2911 -8.2911 -8.1805 -8.1805 -8.1313 -8.1313 -7.5941 -7.5941 -0.1609 -0.1609 1.0421 1.0421 2.3445 2.3445 2.6958 2.6958 3.3844 3.3844 3.5361 3.5361 3.9072 3.9072 4.2245 4.2245 4.7019 4.7019 7.6728 7.6728 8.9096 8.9096 9.7106 9.7106 10.5192 10.5192 k = 0.5000 0.2887 0.0639 ( 6128 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7688 -24.7688 -24.7541 -24.7541 -8.7259 -8.7259 -8.5208 -8.5208 -8.3285 -8.3285 -8.2916 -8.2916 -8.1806 -8.1806 -8.1314 -8.1314 -7.5954 -7.5954 -0.0632 -0.0632 0.9297 0.9297 2.3757 2.3757 2.7401 2.7401 3.3355 3.3355 3.4855 3.4855 3.8995 3.8995 4.2239 4.2239 4.7043 4.7043 7.6827 7.6827 8.8969 8.8969 9.7590 9.7590 10.5524 10.5524 k = 0.5000 0.2887 0.0479 ( 6130 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7688 -24.7688 -24.7541 -24.7541 -8.7265 -8.7265 -8.5208 -8.5208 -8.3279 -8.3279 -8.2920 -8.2920 -8.1807 -8.1807 -8.1314 -8.1314 -7.5964 -7.5964 0.0328 0.0328 0.8225 0.8225 2.4025 2.4025 2.7805 2.7805 3.2937 3.2937 3.4407 3.4407 3.8942 3.8942 4.2235 4.2235 4.7062 4.7062 7.6902 7.6902 8.8871 8.8871 9.7985 9.7985 10.5802 10.5802 k = 0.5000 0.2887 0.0320 ( 6128 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7689 -24.7689 -24.7540 -24.7540 -8.7269 -8.7269 -8.5208 -8.5208 -8.3275 -8.3275 -8.2923 -8.2923 -8.1808 -8.1808 -8.1315 -8.1315 -7.5971 -7.5971 0.1223 0.1223 0.7248 0.7248 2.4233 2.4233 2.8141 2.8141 3.2609 3.2609 3.4048 3.4048 3.8907 3.8907 4.2233 4.2233 4.7076 4.7076 7.6953 7.6953 8.8802 8.8802 9.8278 9.8278 10.6013 10.6013 k = 0.5000 0.2887 0.0160 ( 6132 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7689 -24.7689 -24.7540 -24.7540 -8.7271 -8.7271 -8.5208 -8.5208 -8.3272 -8.3272 -8.2925 -8.2925 -8.1809 -8.1809 -8.1315 -8.1315 -7.5975 -7.5975 0.1942 0.1942 0.6479 0.6479 2.4365 2.4365 2.8370 2.8370 3.2395 3.2395 3.3814 3.3814 3.8888 3.8888 4.2231 4.2231 4.7084 4.7084 7.6983 7.6983 8.8760 8.8760 9.8458 9.8458 10.6145 10.6145 k = 0.5000 0.2887-0.0000 ( 6140 PWs) bands (ev): -77.8821 -77.8821 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7689 -24.7689 -24.7540 -24.7540 -8.7272 -8.7272 -8.5208 -8.5208 -8.3271 -8.3271 -8.2925 -8.2925 -8.1809 -8.1809 -8.1315 -8.1315 -7.5977 -7.5977 0.2244 0.2244 0.6161 0.6161 2.4411 2.4411 2.8453 2.8453 3.2319 3.2319 3.3731 3.3731 3.8881 3.8881 4.2230 4.2230 4.7086 4.7086 7.6992 7.6992 8.8747 8.8747 9.8519 9.8519 10.6189 10.6189 k = 0.3333 0.5774-0.0000 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7613 -24.7613 -24.7613 -24.7613 -8.7658 -8.7658 -8.4942 -8.4942 -8.3800 -8.3800 -8.2244 -8.2244 -8.1957 -8.1957 -8.1367 -8.1367 -7.5863 -7.5863 0.2294 0.2294 0.6367 0.6367 2.6199 2.6199 2.6306 2.6306 3.2555 3.2555 3.3655 3.3655 3.9235 3.9235 4.2200 4.2200 4.7787 4.7787 8.0726 8.0726 8.0896 8.0896 10.2832 10.2832 10.3483 10.3483 k = 0.3333 0.5774 0.0160 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7613 -24.7613 -24.7613 -24.7613 -8.7655 -8.7655 -8.4943 -8.4943 -8.3801 -8.3801 -8.2243 -8.2243 -8.1957 -8.1957 -8.1367 -8.1367 -7.5862 -7.5862 0.2002 0.2002 0.6676 0.6676 2.6137 2.6137 2.6254 2.6254 3.2634 3.2634 3.3718 3.3718 3.9242 3.9242 4.2201 4.2201 4.7783 4.7783 8.0721 8.0721 8.0893 8.0893 10.2759 10.2759 10.3406 10.3406 k = 0.3333 0.5774 0.0320 ( 6102 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7613 -24.7613 -24.7613 -24.7613 -8.7649 -8.7649 -8.4947 -8.4947 -8.3806 -8.3806 -8.2240 -8.2240 -8.1956 -8.1956 -8.1367 -8.1367 -7.5856 -7.5856 0.1299 0.1299 0.7428 0.7428 2.5960 2.5960 2.6105 2.6105 3.2860 3.2860 3.3903 3.3903 3.9262 3.9262 4.2205 4.2205 4.7774 4.7774 8.0706 8.0706 8.0884 8.0884 10.2548 10.2548 10.3185 10.3185 k = 0.3333 0.5774 0.0479 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7613 -24.7613 -24.7613 -24.7613 -8.7639 -8.7639 -8.4954 -8.4954 -8.3815 -8.3815 -8.2234 -8.2234 -8.1955 -8.1955 -8.1367 -8.1367 -7.5847 -7.5847 0.0415 0.0415 0.8395 0.8395 2.5690 2.5690 2.5872 2.5872 3.3213 3.3213 3.4191 3.4191 3.9297 3.9297 4.2211 4.2211 4.7759 4.7759 8.0679 8.0679 8.0868 8.0868 10.2224 10.2224 10.2843 10.2843 k = 0.3333 0.5774 0.0639 ( 6117 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7613 -24.7613 -24.7613 -24.7613 -8.7624 -8.7624 -8.4963 -8.4963 -8.3826 -8.3826 -8.2227 -8.2227 -8.1955 -8.1955 -8.1367 -8.1367 -7.5835 -7.5835 -0.0536 -0.0536 0.9461 0.9461 2.5353 2.5353 2.5575 2.5575 3.3665 3.3665 3.4563 3.4563 3.9349 3.9349 4.2219 4.2219 4.7738 4.7738 8.0638 8.0638 8.0841 8.0841 10.1815 10.1815 10.2414 10.2414 k = 0.3333 0.5774 0.0799 ( 6108 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7613 -24.7613 -24.7613 -24.7613 -8.7606 -8.7606 -8.4974 -8.4974 -8.3840 -8.3840 -8.2217 -8.2217 -8.1954 -8.1954 -8.1366 -8.1366 -7.5819 -7.5819 -0.1509 -0.1509 1.0581 1.0581 2.4971 2.4971 2.5232 2.5232 3.4195 3.4195 3.4995 3.4995 3.9424 3.9424 4.2230 4.2230 4.7711 4.7711 8.0580 8.0580 8.0803 8.0803 10.1352 10.1352 10.1926 10.1926 k = 0.3333 0.5774 0.0959 ( 6105 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3793 -42.3793 -42.1108 -42.1108 -24.7613 -24.7613 -24.7613 -24.7613 -8.7584 -8.7584 -8.4987 -8.4987 -8.3856 -8.3856 -8.2206 -8.2206 -8.1955 -8.1955 -8.1365 -8.1365 -7.5800 -7.5800 -0.2480 -0.2480 1.1731 1.1731 2.4562 2.4562 2.4857 2.4857 3.4782 3.4782 3.5463 3.5463 3.9528 3.9528 4.2244 4.2244 4.7678 4.7678 8.0501 8.0501 8.0748 8.0748 10.0861 10.0861 10.1407 10.1407 k = 0.3333 0.5774 0.1119 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7613 -24.7613 -24.7613 -24.7613 -8.7559 -8.7559 -8.5003 -8.5003 -8.3875 -8.3875 -8.2193 -8.2193 -8.1957 -8.1957 -8.1362 -8.1362 -7.5778 -7.5778 -0.3440 -0.3440 1.2900 1.2900 2.4140 2.4140 2.4464 2.4464 3.5413 3.5413 3.5944 3.5944 3.9673 3.9673 4.2260 4.2260 4.7639 4.7639 8.0398 8.0398 8.0672 8.0672 10.0366 10.0366 10.0880 10.0880 k = 0.3333 0.5774 0.1279 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7613 -24.7613 -24.7612 -24.7612 -8.7530 -8.7530 -8.5020 -8.5020 -8.3896 -8.3896 -8.2179 -8.2179 -8.1960 -8.1960 -8.1358 -8.1358 -7.5753 -7.5753 -0.4380 -0.4380 1.4078 1.4078 2.3713 2.3713 2.4062 2.4062 3.6076 3.6076 3.6413 3.6413 3.9871 3.9871 4.2280 4.2280 4.7593 4.7593 8.0265 8.0265 8.0571 8.0571 9.9885 9.9885 10.0364 10.0364 k = 0.3333 0.5774 0.1438 ( 6111 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7613 -24.7613 -24.7612 -24.7612 -8.7498 -8.7498 -8.5039 -8.5039 -8.3918 -8.3918 -8.2163 -8.2163 -8.1966 -8.1966 -8.1353 -8.1353 -7.5726 -7.5726 -0.5297 -0.5297 1.5261 1.5261 2.3289 2.3289 2.3658 2.3658 3.6765 3.6765 3.6846 3.6846 4.0141 4.0141 4.2304 4.2304 4.7542 4.7542 8.0097 8.0097 8.0439 8.0439 9.9433 9.9433 9.9875 9.9875 k = 0.3333 0.5774 0.1598 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7613 -24.7613 -24.7612 -24.7612 -8.7463 -8.7463 -8.5058 -8.5058 -8.3941 -8.3941 -8.2146 -8.2146 -8.1974 -8.1974 -8.1346 -8.1346 -7.5696 -7.5696 -0.6186 -0.6186 1.6442 1.6442 2.2872 2.2872 2.3258 2.3258 3.7220 3.7220 3.7469 3.7469 4.0497 4.0497 4.2332 4.2332 4.7486 4.7486 7.9891 7.9891 8.0271 8.0271 9.9026 9.9026 9.9427 9.9427 k = 0.3333 0.5774 0.1758 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7612 -24.7612 -24.7612 -24.7612 -8.7427 -8.7427 -8.5079 -8.5079 -8.3965 -8.3965 -8.2129 -8.2129 -8.1985 -8.1985 -8.1337 -8.1337 -7.5664 -7.5664 -0.7046 -0.7046 1.7618 1.7618 2.2467 2.2467 2.2865 2.2865 3.7525 3.7525 3.8183 3.8183 4.0944 4.0944 4.2368 4.2368 4.7423 4.7423 7.9641 7.9641 8.0062 8.0062 9.8673 9.8673 9.9031 9.9031 k = 0.3333 0.5774 0.1918 ( 6120 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7612 -24.7612 -24.7612 -24.7612 -8.7388 -8.7388 -8.5101 -8.5101 -8.3990 -8.3990 -8.2111 -8.2111 -8.1998 -8.1998 -8.1327 -8.1327 -7.5631 -7.5631 -0.7874 -0.7874 1.8782 1.8782 2.2078 2.2078 2.2482 2.2482 3.7763 3.7763 3.8898 3.8898 4.1477 4.1477 4.2413 4.2413 4.7357 4.7357 7.9345 7.9345 7.9807 7.9807 9.8383 9.8383 9.8698 9.8698 k = 0.3333 0.5774 0.2078 ( 6117 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7612 -24.7612 -24.7612 -24.7612 -8.7347 -8.7347 -8.5123 -8.5123 -8.4015 -8.4015 -8.2093 -8.2093 -8.2014 -8.2014 -8.1315 -8.1315 -7.5596 -7.5596 -0.8667 -0.8667 1.9922 1.9922 2.1715 2.1715 2.2113 2.2113 3.7944 3.7944 3.9601 3.9601 4.2080 4.2080 4.2475 4.2475 4.7287 4.7287 7.9001 7.9001 7.9504 7.9504 9.8163 9.8163 9.8434 9.8434 k = 0.3333 0.5774 0.2237 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7612 -24.7612 -24.7612 -24.7612 -8.7306 -8.7306 -8.5145 -8.5145 -8.4039 -8.4039 -8.2074 -8.2074 -8.2032 -8.2032 -8.1302 -8.1302 -7.5560 -7.5560 -0.9424 -0.9424 2.0932 2.0932 2.1482 2.1482 2.1759 2.1759 3.8081 3.8081 4.0275 4.0275 4.2566 4.2566 4.2736 4.2736 4.7217 4.7217 7.8609 7.8609 7.9152 7.9152 9.8016 9.8016 9.8246 9.8246 k = 0.3333 0.5774 0.2397 ( 6099 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7612 -24.7612 -24.7612 -24.7612 -8.7263 -8.7263 -8.5167 -8.5167 -8.4064 -8.4064 -8.2056 -8.2056 -8.2052 -8.2052 -8.1288 -8.1288 -7.5524 -7.5524 -1.0144 -1.0144 2.0921 2.0921 2.1422 2.1422 2.2267 2.2267 3.8188 3.8188 4.0887 4.0887 4.2712 4.2712 4.3428 4.3428 4.7147 4.7147 7.8172 7.8172 7.8752 7.8752 9.7945 9.7945 9.8134 9.8134 k = 0.3333 0.5774 0.2557 ( 6099 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7612 -24.7612 -24.7612 -24.7612 -8.7221 -8.7221 -8.5189 -8.5189 -8.4087 -8.4087 -8.2074 -8.2074 -8.2038 -8.2038 -8.1273 -8.1273 -7.5488 -7.5488 -1.0825 -1.0825 2.0621 2.0621 2.1102 2.1102 2.3335 2.3335 3.8271 3.8271 4.1383 4.1383 4.2955 4.2955 4.4143 4.4143 4.7085 4.7085 7.7693 7.7693 7.8306 7.8306 9.7948 9.7948 9.8101 9.8101 k = 0.3333 0.5774 0.2717 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7612 -24.7612 -24.7611 -24.7611 -8.7178 -8.7178 -8.5211 -8.5211 -8.4110 -8.4110 -8.2096 -8.2096 -8.2020 -8.2020 -8.1258 -8.1258 -7.5451 -7.5451 -1.1464 -1.1464 2.0323 2.0323 2.0801 2.0801 2.4389 2.4389 3.8338 3.8338 4.1720 4.1720 4.3327 4.3327 4.4872 4.4872 4.7039 4.7039 7.7177 7.7177 7.7820 7.7820 9.8024 9.8024 9.8143 9.8143 k = 0.3333 0.5774 0.2877 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7612 -24.7612 -24.7611 -24.7611 -8.7136 -8.7136 -8.5232 -8.5232 -8.4131 -8.4131 -8.2120 -8.2120 -8.2003 -8.2003 -8.1243 -8.1243 -7.5416 -7.5416 -1.2063 -1.2063 2.0041 2.0041 2.0520 2.0520 2.5413 2.5413 3.8393 3.8393 4.1919 4.1919 4.3786 4.3786 4.5604 4.5604 4.7025 4.7025 7.6633 7.6633 7.7300 7.7300 9.8168 9.8168 9.8257 9.8257 k = 0.3333 0.5774 0.3037 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7611 -24.7611 -8.7096 -8.7096 -8.5252 -8.5252 -8.4151 -8.4151 -8.2144 -8.2144 -8.1987 -8.1987 -8.1228 -8.1228 -7.5381 -7.5381 -1.2618 -1.2618 1.9779 1.9779 2.0259 2.0259 2.6397 2.6397 3.8439 3.8439 4.2037 4.2037 4.4245 4.4245 4.6331 4.6331 4.7069 4.7069 7.6069 7.6069 7.6755 7.6755 9.8374 9.8374 9.8437 9.8437 k = 0.3333 0.5774 0.3196 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7611 -24.7611 -8.7057 -8.7057 -8.5271 -8.5271 -8.4170 -8.4170 -8.2168 -8.2168 -8.1971 -8.1971 -8.1213 -8.1213 -7.5348 -7.5348 -1.3129 -1.3129 1.9538 1.9538 2.0020 2.0020 2.7335 2.7335 3.8477 3.8477 4.2111 4.2111 4.4626 4.4626 4.7046 4.7046 4.7206 4.7206 7.5494 7.5494 7.6194 7.6194 9.8636 9.8636 9.8678 9.8678 k = 0.3333 0.5774 0.3356 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7611 -24.7611 -8.7020 -8.7020 -8.5288 -8.5288 -8.4187 -8.4187 -8.2192 -8.2192 -8.1957 -8.1957 -8.1199 -8.1199 -7.5317 -7.5317 -1.3595 -1.3595 1.9319 1.9319 1.9802 1.9802 2.8220 2.8220 3.8509 3.8509 4.2163 4.2163 4.4879 4.4879 4.7462 4.7462 4.7740 4.7740 7.4918 7.4918 7.5628 7.5628 9.8946 9.8946 9.8970 9.8970 k = 0.3333 0.5774 0.3516 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7611 -24.7611 -8.6985 -8.6985 -8.5304 -8.5304 -8.4202 -8.4202 -8.2214 -8.2214 -8.1944 -8.1944 -8.1186 -8.1186 -7.5287 -7.5287 -1.4014 -1.4014 1.9121 1.9121 1.9606 1.9606 2.9047 2.9047 3.8536 3.8536 4.2201 4.2201 4.4999 4.4999 4.7825 4.7825 4.8404 4.8404 7.4353 7.4353 7.5069 7.5069 9.9296 9.9296 9.9306 9.9306 k = 0.3333 0.5774 0.3676 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7611 -24.7611 -8.6954 -8.6954 -8.5319 -8.5319 -8.4216 -8.4216 -8.2235 -8.2235 -8.1932 -8.1932 -8.1174 -8.1174 -7.5261 -7.5261 -1.4386 -1.4386 1.8946 1.8946 1.9432 1.9432 2.9807 2.9807 3.8559 3.8559 4.2229 4.2229 4.5019 4.5019 4.8252 4.8252 4.9028 4.9028 7.3811 7.3811 7.4529 7.4529 9.9674 9.9674 9.9675 9.9675 k = 0.3333 0.5774 0.3836 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7611 -24.7611 -8.6925 -8.6925 -8.5332 -8.5332 -8.4228 -8.4228 -8.2254 -8.2254 -8.1921 -8.1921 -8.1164 -8.1164 -7.5237 -7.5237 -1.4711 -1.4711 1.8794 1.8794 1.9281 1.9281 3.0491 3.0491 3.8578 3.8578 4.2252 4.2252 4.4980 4.4980 4.8697 4.8697 4.9604 4.9604 7.3304 7.3304 7.4021 7.4021 10.0062 10.0062 10.0071 10.0071 k = 0.3333 0.5774 0.3996 ( 6105 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7611 -24.7611 -8.6901 -8.6901 -8.5343 -8.5343 -8.4238 -8.4238 -8.2271 -8.2271 -8.1913 -8.1913 -8.1155 -8.1155 -7.5216 -7.5216 -1.4986 -1.4986 1.8665 1.8665 1.9153 1.9153 3.1092 3.1092 3.8594 3.8594 4.2270 4.2270 4.4909 4.4909 4.9122 4.9122 5.0119 5.0119 7.2845 7.2845 7.3559 7.3559 10.0455 10.0455 10.0471 10.0471 k = 0.3333 0.5774 0.4155 ( 6111 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7611 -24.7611 -8.6880 -8.6880 -8.5352 -8.5352 -8.4246 -8.4246 -8.2286 -8.2286 -8.1905 -8.1905 -8.1147 -8.1147 -7.5199 -7.5199 -1.5213 -1.5213 1.8559 1.8559 1.9048 1.9048 3.1601 3.1601 3.8606 3.8606 4.2284 4.2284 4.4828 4.4828 4.9502 4.9502 5.0562 5.0562 7.2447 7.2447 7.3157 7.3157 10.0835 10.0835 10.0855 10.0855 k = 0.3333 0.5774 0.4315 ( 6117 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7611 -24.7611 -8.6864 -8.6864 -8.5359 -8.5359 -8.4252 -8.4252 -8.2297 -8.2297 -8.1899 -8.1899 -8.1141 -8.1141 -7.5185 -7.5185 -1.5389 -1.5389 1.8477 1.8477 1.8966 1.8966 3.2009 3.2009 3.8616 3.8616 4.2294 4.2294 4.4751 4.4751 4.9818 4.9818 5.0921 5.0921 7.2122 7.2122 7.2827 7.2827 10.1179 10.1179 10.1201 10.1201 k = 0.3333 0.5774 0.4475 ( 6114 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7610 -24.7610 -8.6852 -8.6852 -8.5364 -8.5364 -8.4257 -8.4257 -8.2306 -8.2306 -8.1895 -8.1895 -8.1137 -8.1137 -7.5175 -7.5175 -1.5516 -1.5516 1.8418 1.8418 1.8907 1.8907 3.2307 3.2307 3.8623 3.8623 4.2301 4.2301 4.4688 4.4688 5.0054 5.0054 5.1187 5.1187 7.1880 7.1880 7.2581 7.2581 10.1457 10.1457 10.1482 10.1482 k = 0.3333 0.5774 0.4635 ( 6096 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7610 -24.7610 -8.6845 -8.6845 -8.5367 -8.5367 -8.4259 -8.4259 -8.2311 -8.2311 -8.1893 -8.1893 -8.1134 -8.1134 -7.5169 -7.5169 -1.5592 -1.5592 1.8383 1.8383 1.8872 1.8872 3.2490 3.2490 3.8628 3.8628 4.2306 4.2306 4.4647 4.4647 5.0200 5.0200 5.1351 5.1351 7.1732 7.1732 7.2429 7.2429 10.1641 10.1641 10.1666 10.1666 k = 0.3333 0.5774 0.4795 ( 6090 PWs) bands (ev): -77.8820 -77.8820 -46.7217 -46.7217 -42.3794 -42.3794 -42.1108 -42.1108 -24.7611 -24.7611 -24.7610 -24.7610 -8.6843 -8.6843 -8.5368 -8.5368 -8.4260 -8.4260 -8.2313 -8.2313 -8.1892 -8.1892 -8.1133 -8.1133 -7.5167 -7.5167 -1.5617 -1.5617 1.8371 1.8371 1.8860 1.8860 3.2551 3.2551 3.8629 3.8629 4.2308 4.2308 4.4633 4.4633 5.0250 5.0250 5.1406 5.1406 7.1681 7.1681 7.2378 7.2378 10.1706 10.1706 10.1731 10.1731 Writing output data file K2PdC2.save init_run : 0.69s CPU 1.05s WALL ( 1 calls) electrons : 170.30s CPU 173.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.16s WALL ( 1 calls) potinit : 0.03s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 170.29s CPU 173.91s 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 : 0.12s CPU 0.21s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 297 calls) cegterg : 155.35s CPU 157.18s WALL ( 464 calls) Called by sum_band: Called by *egterg: h_psi : 94.94s CPU 96.33s WALL ( 6777 calls) s_psi : 4.61s CPU 4.76s WALL ( 6777 calls) g_psi : 0.35s CPU 0.30s WALL ( 6016 calls) cdiaghg : 46.90s CPU 47.62s WALL ( 6313 calls) cegterg:over : 7.18s CPU 7.21s WALL ( 6016 calls) cegterg:upda : 6.74s CPU 6.71s WALL ( 6016 calls) cegterg:last : 3.16s CPU 3.22s WALL ( 1058 calls) cdiaghg:chol : 2.69s CPU 2.77s WALL ( 6313 calls) cdiaghg:inve : 1.79s CPU 1.80s WALL ( 6313 calls) cdiaghg:para : 2.98s CPU 2.87s WALL ( 12626 calls) Called by h_psi: h_psi:vloc : 83.96s CPU 85.19s WALL ( 6777 calls) h_psi:vnl : 10.66s CPU 10.82s WALL ( 6777 calls) add_vuspsi : 5.40s CPU 5.36s WALL ( 6777 calls) General routines calbec : 5.23s CPU 5.45s WALL ( 6777 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 75.47s CPU 76.57s WALL ( 714572 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.25s WALL ( 594 calls) Parallel routines fft_scatter : 25.98s CPU 26.56s WALL ( 714595 calls) PWSCF : 3m 9.29s CPU 3m33.68s WALL This run was terminated on: 16:22:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=