Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:44:46 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: ./CdxNClx2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 171 49 14 6867 1053 168 Max 172 50 15 6870 1068 171 Sum 6169 1773 517 247253 38177 6097 bravais-lattice index = 14 lattice parameter (alat) = 11.0042 a.u. unit-cell volume = 906.0862 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.004166 celldm(2)= 1.000000 celldm(3)= 0.680044 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.013357 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.013357 0.999911 0.000000 ) a(3) = ( 0.000000 0.000000 0.680044 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.013358 -0.000000 ) b(2) = ( 0.000000 1.000089 -0.000000 ) b(3) = ( 0.000000 0.000000 1.470493 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Cd 12.00 112.41100 Cd( 1.00) Cl 7.00 35.45300 Cl( 1.00) N 5.00 14.00670 N( 1.00) 4 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 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 C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 380 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0129845 0.0131591 -0.0000000), wk = 0.0026316 k( 3) = ( 0.0259689 0.0263181 -0.0000000), wk = 0.0026316 k( 4) = ( 0.0389534 0.0394772 -0.0000000), wk = 0.0026316 k( 5) = ( 0.0519378 0.0526363 -0.0000000), wk = 0.0026316 k( 6) = ( 0.0649223 0.0657953 -0.0000000), wk = 0.0026316 k( 7) = ( 0.0779068 0.0789544 -0.0000000), wk = 0.0026316 k( 8) = ( 0.0908912 0.0921135 -0.0000000), wk = 0.0026316 k( 9) = ( 0.1038757 0.1052726 -0.0000000), wk = 0.0026316 k( 10) = ( 0.1168601 0.1184316 -0.0000000), wk = 0.0026316 k( 11) = ( 0.1298446 0.1315907 -0.0000000), wk = 0.0026316 k( 12) = ( 0.1428291 0.1447498 -0.0000000), wk = 0.0026316 k( 13) = ( 0.1558135 0.1579088 -0.0000000), wk = 0.0026316 k( 14) = ( 0.1687980 0.1710679 -0.0000000), wk = 0.0026316 k( 15) = ( 0.1817825 0.1842270 -0.0000000), wk = 0.0026316 k( 16) = ( 0.1947669 0.1973860 -0.0000000), wk = 0.0026316 k( 17) = ( 0.2077514 0.2105451 -0.0000000), wk = 0.0026316 k( 18) = ( 0.2207358 0.2237042 -0.0000000), wk = 0.0026316 k( 19) = ( 0.2337203 0.2368632 -0.0000000), wk = 0.0026316 k( 20) = ( 0.2467048 0.2500223 -0.0000000), wk = 0.0026316 k( 21) = ( 0.2596892 0.2631814 -0.0000000), wk = 0.0026316 k( 22) = ( 0.2726737 0.2763404 -0.0000000), wk = 0.0026316 k( 23) = ( 0.2856581 0.2894995 -0.0000000), wk = 0.0026316 k( 24) = ( 0.2986426 0.3026586 -0.0000000), wk = 0.0026316 k( 25) = ( 0.3116271 0.3158176 -0.0000000), wk = 0.0026316 k( 26) = ( 0.3246115 0.3289767 -0.0000000), wk = 0.0026316 k( 27) = ( 0.3375960 0.3421358 -0.0000000), wk = 0.0026316 k( 28) = ( 0.3505804 0.3552949 -0.0000000), wk = 0.0026316 k( 29) = ( 0.3635649 0.3684539 -0.0000000), wk = 0.0026316 k( 30) = ( 0.3765494 0.3816130 -0.0000000), wk = 0.0026316 k( 31) = ( 0.3895338 0.3947721 -0.0000000), wk = 0.0026316 k( 32) = ( 0.4025183 0.4079311 -0.0000000), wk = 0.0026316 k( 33) = ( 0.4155027 0.4210902 -0.0000000), wk = 0.0026316 k( 34) = ( 0.4284872 0.4342493 -0.0000000), wk = 0.0026316 k( 35) = ( 0.4414717 0.4474083 -0.0000000), wk = 0.0026316 k( 36) = ( 0.4544561 0.4605674 -0.0000000), wk = 0.0026316 k( 37) = ( 0.4674406 0.4737265 -0.0000000), wk = 0.0026316 k( 38) = ( 0.4804251 0.4868855 -0.0000000), wk = 0.0026316 k( 39) = ( 0.4934095 0.5000446 -0.0000000), wk = 0.0026316 k( 40) = ( 0.4934095 0.5000446 -0.0000000), wk = 0.0026316 k( 41) = ( 0.4751351 0.5000446 -0.0000000), wk = 0.0026316 k( 42) = ( 0.4568607 0.5000446 -0.0000000), wk = 0.0026316 k( 43) = ( 0.4385862 0.5000446 -0.0000000), wk = 0.0026316 k( 44) = ( 0.4203118 0.5000446 -0.0000000), wk = 0.0026316 k( 45) = ( 0.4020374 0.5000446 -0.0000000), wk = 0.0026316 k( 46) = ( 0.3837630 0.5000446 -0.0000000), wk = 0.0026316 k( 47) = ( 0.3654885 0.5000446 -0.0000000), wk = 0.0026316 k( 48) = ( 0.3472141 0.5000446 -0.0000000), wk = 0.0026316 k( 49) = ( 0.3289397 0.5000446 -0.0000000), wk = 0.0026316 k( 50) = ( 0.3106653 0.5000446 -0.0000000), wk = 0.0026316 k( 51) = ( 0.2923908 0.5000446 -0.0000000), wk = 0.0026316 k( 52) = ( 0.2741164 0.5000446 -0.0000000), wk = 0.0026316 k( 53) = ( 0.2558420 0.5000446 -0.0000000), wk = 0.0026316 k( 54) = ( 0.2375675 0.5000446 -0.0000000), wk = 0.0026316 k( 55) = ( 0.2192931 0.5000446 -0.0000000), wk = 0.0026316 k( 56) = ( 0.2010187 0.5000446 -0.0000000), wk = 0.0026316 k( 57) = ( 0.1827443 0.5000446 -0.0000000), wk = 0.0026316 k( 58) = ( 0.1644698 0.5000446 -0.0000000), wk = 0.0026316 k( 59) = ( 0.1461954 0.5000446 -0.0000000), wk = 0.0026316 k( 60) = ( 0.1279210 0.5000446 -0.0000000), wk = 0.0026316 k( 61) = ( 0.1096466 0.5000446 -0.0000000), wk = 0.0026316 k( 62) = ( 0.0913721 0.5000446 -0.0000000), wk = 0.0026316 k( 63) = ( 0.0730977 0.5000446 -0.0000000), wk = 0.0026316 k( 64) = ( 0.0548233 0.5000446 -0.0000000), wk = 0.0026316 k( 65) = ( 0.0365489 0.5000446 -0.0000000), wk = 0.0026316 k( 66) = ( 0.0182744 0.5000446 -0.0000000), wk = 0.0026316 k( 67) = ( 0.0000000 0.5000446 -0.0000000), wk = 0.0026316 k( 68) = ( 0.0000000 0.5000446 -0.0000000), wk = 0.0026316 k( 69) = ( 0.0000000 0.5000446 0.0183812), wk = 0.0026316 k( 70) = ( 0.0000000 0.5000446 0.0367623), wk = 0.0026316 k( 71) = ( 0.0000000 0.5000446 0.0551435), wk = 0.0026316 k( 72) = ( 0.0000000 0.5000446 0.0735247), wk = 0.0026316 k( 73) = ( 0.0000000 0.5000446 0.0919058), wk = 0.0026316 k( 74) = ( 0.0000000 0.5000446 0.1102870), wk = 0.0026316 k( 75) = ( 0.0000000 0.5000446 0.1286682), wk = 0.0026316 k( 76) = ( 0.0000000 0.5000446 0.1470493), wk = 0.0026316 k( 77) = ( 0.0000000 0.5000446 0.1654305), wk = 0.0026316 k( 78) = ( 0.0000000 0.5000446 0.1838117), wk = 0.0026316 k( 79) = ( 0.0000000 0.5000446 0.2021929), wk = 0.0026316 k( 80) = ( 0.0000000 0.5000446 0.2205740), wk = 0.0026316 k( 81) = ( 0.0000000 0.5000446 0.2389552), wk = 0.0026316 k( 82) = ( 0.0000000 0.5000446 0.2573364), wk = 0.0026316 k( 83) = ( 0.0000000 0.5000446 0.2757175), wk = 0.0026316 k( 84) = ( 0.0000000 0.5000446 0.2940987), wk = 0.0026316 k( 85) = ( 0.0000000 0.5000446 0.3124799), wk = 0.0026316 k( 86) = ( 0.0000000 0.5000446 0.3308610), wk = 0.0026316 k( 87) = ( 0.0000000 0.5000446 0.3492422), wk = 0.0026316 k( 88) = ( 0.0000000 0.5000446 0.3676234), wk = 0.0026316 k( 89) = ( 0.0000000 0.5000446 0.3860045), wk = 0.0026316 k( 90) = ( 0.0000000 0.5000446 0.4043857), wk = 0.0026316 k( 91) = ( 0.0000000 0.5000446 0.4227669), wk = 0.0026316 k( 92) = ( 0.0000000 0.5000446 0.4411480), wk = 0.0026316 k( 93) = ( 0.0000000 0.5000446 0.4595292), wk = 0.0026316 k( 94) = ( 0.0000000 0.5000446 0.4779104), wk = 0.0026316 k( 95) = ( 0.0000000 0.5000446 0.4962916), wk = 0.0026316 k( 96) = ( 0.0000000 0.5000446 0.5146727), wk = 0.0026316 k( 97) = ( 0.0000000 0.5000446 0.5330539), wk = 0.0026316 k( 98) = ( 0.0000000 0.5000446 0.5514351), wk = 0.0026316 k( 99) = ( 0.0000000 0.5000446 0.5698162), wk = 0.0026316 k( 100) = ( 0.0000000 0.5000446 0.5881974), wk = 0.0026316 k( 101) = ( 0.0000000 0.5000446 0.6065786), wk = 0.0026316 k( 102) = ( 0.0000000 0.5000446 0.6249597), wk = 0.0026316 k( 103) = ( 0.0000000 0.5000446 0.6433409), wk = 0.0026316 k( 104) = ( 0.0000000 0.5000446 0.6617221), wk = 0.0026316 k( 105) = ( 0.0000000 0.5000446 0.6801032), wk = 0.0026316 k( 106) = ( 0.0000000 0.5000446 0.6984844), wk = 0.0026316 k( 107) = ( 0.0000000 0.5000446 0.7168656), wk = 0.0026316 k( 108) = ( 0.0000000 0.5000446 0.7352467), wk = 0.0026316 k( 109) = ( 0.0000000 0.5000446 0.7352467), wk = 0.0026316 k( 110) = ( 0.0182744 0.5000446 0.7352467), wk = 0.0026316 k( 111) = ( 0.0365489 0.5000446 0.7352467), wk = 0.0026316 k( 112) = ( 0.0548233 0.5000446 0.7352467), wk = 0.0026316 k( 113) = ( 0.0730977 0.5000446 0.7352467), wk = 0.0026316 k( 114) = ( 0.0913721 0.5000446 0.7352467), wk = 0.0026316 k( 115) = ( 0.1096466 0.5000446 0.7352467), wk = 0.0026316 k( 116) = ( 0.1279210 0.5000446 0.7352467), wk = 0.0026316 k( 117) = ( 0.1461954 0.5000446 0.7352467), wk = 0.0026316 k( 118) = ( 0.1644698 0.5000446 0.7352467), wk = 0.0026316 k( 119) = ( 0.1827443 0.5000446 0.7352467), wk = 0.0026316 k( 120) = ( 0.2010187 0.5000446 0.7352467), wk = 0.0026316 k( 121) = ( 0.2192931 0.5000446 0.7352467), wk = 0.0026316 k( 122) = ( 0.2375675 0.5000446 0.7352467), wk = 0.0026316 k( 123) = ( 0.2558420 0.5000446 0.7352467), wk = 0.0026316 k( 124) = ( 0.2741164 0.5000446 0.7352467), wk = 0.0026316 k( 125) = ( 0.2923908 0.5000446 0.7352467), wk = 0.0026316 k( 126) = ( 0.3106653 0.5000446 0.7352467), wk = 0.0026316 k( 127) = ( 0.3289397 0.5000446 0.7352467), wk = 0.0026316 k( 128) = ( 0.3472141 0.5000446 0.7352467), wk = 0.0026316 k( 129) = ( 0.3654885 0.5000446 0.7352467), wk = 0.0026316 k( 130) = ( 0.3837630 0.5000446 0.7352467), wk = 0.0026316 k( 131) = ( 0.4020374 0.5000446 0.7352467), wk = 0.0026316 k( 132) = ( 0.4203118 0.5000446 0.7352467), wk = 0.0026316 k( 133) = ( 0.4385862 0.5000446 0.7352467), wk = 0.0026316 k( 134) = ( 0.4568607 0.5000446 0.7352467), wk = 0.0026316 k( 135) = ( 0.4751351 0.5000446 0.7352467), wk = 0.0026316 k( 136) = ( 0.4934095 0.5000446 0.7352467), wk = 0.0026316 k( 137) = ( 0.4934095 0.5000446 0.7352467), wk = 0.0026316 k( 138) = ( 0.4804251 0.4868855 0.7352467), wk = 0.0026316 k( 139) = ( 0.4674406 0.4737265 0.7352467), wk = 0.0026316 k( 140) = ( 0.4544561 0.4605674 0.7352467), wk = 0.0026316 k( 141) = ( 0.4414717 0.4474083 0.7352467), wk = 0.0026316 k( 142) = ( 0.4284872 0.4342493 0.7352467), wk = 0.0026316 k( 143) = ( 0.4155027 0.4210902 0.7352467), wk = 0.0026316 k( 144) = ( 0.4025183 0.4079311 0.7352467), wk = 0.0026316 k( 145) = ( 0.3895338 0.3947721 0.7352467), wk = 0.0026316 k( 146) = ( 0.3765494 0.3816130 0.7352467), wk = 0.0026316 k( 147) = ( 0.3635649 0.3684539 0.7352467), wk = 0.0026316 k( 148) = ( 0.3505804 0.3552949 0.7352467), wk = 0.0026316 k( 149) = ( 0.3375960 0.3421358 0.7352467), wk = 0.0026316 k( 150) = ( 0.3246115 0.3289767 0.7352467), wk = 0.0026316 k( 151) = ( 0.3116271 0.3158176 0.7352467), wk = 0.0026316 k( 152) = ( 0.2986426 0.3026586 0.7352467), wk = 0.0026316 k( 153) = ( 0.2856581 0.2894995 0.7352467), wk = 0.0026316 k( 154) = ( 0.2726737 0.2763404 0.7352467), wk = 0.0026316 k( 155) = ( 0.2596892 0.2631814 0.7352467), wk = 0.0026316 k( 156) = ( 0.2467048 0.2500223 0.7352467), wk = 0.0026316 k( 157) = ( 0.2337203 0.2368632 0.7352467), wk = 0.0026316 k( 158) = ( 0.2207358 0.2237042 0.7352467), wk = 0.0026316 k( 159) = ( 0.2077514 0.2105451 0.7352467), wk = 0.0026316 k( 160) = ( 0.1947669 0.1973860 0.7352467), wk = 0.0026316 k( 161) = ( 0.1817825 0.1842270 0.7352467), wk = 0.0026316 k( 162) = ( 0.1687980 0.1710679 0.7352467), wk = 0.0026316 k( 163) = ( 0.1558135 0.1579088 0.7352467), wk = 0.0026316 k( 164) = ( 0.1428291 0.1447498 0.7352467), wk = 0.0026316 k( 165) = ( 0.1298446 0.1315907 0.7352467), wk = 0.0026316 k( 166) = ( 0.1168601 0.1184316 0.7352467), wk = 0.0026316 k( 167) = ( 0.1038757 0.1052726 0.7352467), wk = 0.0026316 k( 168) = ( 0.0908912 0.0921135 0.7352467), wk = 0.0026316 k( 169) = ( 0.0779068 0.0789544 0.7352467), wk = 0.0026316 k( 170) = ( 0.0649223 0.0657953 0.7352467), wk = 0.0026316 k( 171) = ( 0.0519378 0.0526363 0.7352467), wk = 0.0026316 k( 172) = ( 0.0389534 0.0394772 0.7352467), wk = 0.0026316 k( 173) = ( 0.0259689 0.0263181 0.7352467), wk = 0.0026316 k( 174) = ( 0.0129845 0.0131591 0.7352467), wk = 0.0026316 k( 175) = ( 0.0000000 0.0000000 0.7352467), wk = 0.0026316 k( 176) = ( 0.0000000 0.0000000 0.7352467), wk = 0.0026316 k( 177) = ( 0.0000000 0.0000000 0.7168656), wk = 0.0026316 k( 178) = ( 0.0000000 0.0000000 0.6984844), wk = 0.0026316 k( 179) = ( 0.0000000 0.0000000 0.6801032), wk = 0.0026316 k( 180) = ( 0.0000000 0.0000000 0.6617221), wk = 0.0026316 k( 181) = ( 0.0000000 0.0000000 0.6433409), wk = 0.0026316 k( 182) = ( 0.0000000 0.0000000 0.6249597), wk = 0.0026316 k( 183) = ( 0.0000000 0.0000000 0.6065786), wk = 0.0026316 k( 184) = ( 0.0000000 0.0000000 0.5881974), wk = 0.0026316 k( 185) = ( 0.0000000 0.0000000 0.5698162), wk = 0.0026316 k( 186) = ( 0.0000000 0.0000000 0.5514351), wk = 0.0026316 k( 187) = ( 0.0000000 0.0000000 0.5330539), wk = 0.0026316 k( 188) = ( 0.0000000 0.0000000 0.5146727), wk = 0.0026316 k( 189) = ( 0.0000000 0.0000000 0.4962916), wk = 0.0026316 k( 190) = ( 0.0000000 0.0000000 0.4779104), wk = 0.0026316 k( 191) = ( 0.0000000 0.0000000 0.4595292), wk = 0.0026316 k( 192) = ( 0.0000000 0.0000000 0.4411480), wk = 0.0026316 k( 193) = ( 0.0000000 0.0000000 0.4227669), wk = 0.0026316 k( 194) = ( 0.0000000 0.0000000 0.4043857), wk = 0.0026316 k( 195) = ( 0.0000000 0.0000000 0.3860045), wk = 0.0026316 k( 196) = ( 0.0000000 0.0000000 0.3676234), wk = 0.0026316 k( 197) = ( 0.0000000 0.0000000 0.3492422), wk = 0.0026316 k( 198) = ( 0.0000000 0.0000000 0.3308610), wk = 0.0026316 k( 199) = ( 0.0000000 0.0000000 0.3124799), wk = 0.0026316 k( 200) = ( 0.0000000 0.0000000 0.2940987), wk = 0.0026316 k( 201) = ( 0.0000000 0.0000000 0.2757175), wk = 0.0026316 k( 202) = ( 0.0000000 0.0000000 0.2573364), wk = 0.0026316 k( 203) = ( 0.0000000 0.0000000 0.2389552), wk = 0.0026316 k( 204) = ( 0.0000000 0.0000000 0.2205740), wk = 0.0026316 k( 205) = ( 0.0000000 0.0000000 0.2021929), wk = 0.0026316 k( 206) = ( 0.0000000 0.0000000 0.1838117), wk = 0.0026316 k( 207) = ( 0.0000000 0.0000000 0.1654305), wk = 0.0026316 k( 208) = ( 0.0000000 0.0000000 0.1470493), wk = 0.0026316 k( 209) = ( 0.0000000 0.0000000 0.1286682), wk = 0.0026316 k( 210) = ( 0.0000000 0.0000000 0.1102870), wk = 0.0026316 k( 211) = ( 0.0000000 0.0000000 0.0919058), wk = 0.0026316 k( 212) = ( 0.0000000 0.0000000 0.0735247), wk = 0.0026316 k( 213) = ( 0.0000000 0.0000000 0.0551435), wk = 0.0026316 k( 214) = ( 0.0000000 0.0000000 0.0367623), wk = 0.0026316 k( 215) = ( 0.0000000 0.0000000 0.0183812), wk = 0.0026316 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 218) = ( -0.0131579 0.0129833 0.0000000), wk = 0.0026316 k( 219) = ( -0.0263158 0.0259666 0.0000000), wk = 0.0026316 k( 220) = ( -0.0394737 0.0389499 0.0000000), wk = 0.0026316 k( 221) = ( -0.0526316 0.0519332 0.0000000), wk = 0.0026316 k( 222) = ( -0.0657895 0.0649165 0.0000000), wk = 0.0026316 k( 223) = ( -0.0789474 0.0778998 0.0000000), wk = 0.0026316 k( 224) = ( -0.0921053 0.0908831 0.0000000), wk = 0.0026316 k( 225) = ( -0.1052632 0.1038664 0.0000000), wk = 0.0026316 k( 226) = ( -0.1184210 0.1168497 0.0000000), wk = 0.0026316 k( 227) = ( -0.1315790 0.1298330 0.0000000), wk = 0.0026316 k( 228) = ( -0.1447368 0.1428163 0.0000000), wk = 0.0026316 k( 229) = ( -0.1578947 0.1557996 0.0000000), wk = 0.0026316 k( 230) = ( -0.1710526 0.1687829 0.0000000), wk = 0.0026316 k( 231) = ( -0.1842105 0.1817662 0.0000000), wk = 0.0026316 k( 232) = ( -0.1973684 0.1947495 0.0000000), wk = 0.0026316 k( 233) = ( -0.2105263 0.2077328 0.0000000), wk = 0.0026316 k( 234) = ( -0.2236842 0.2207161 0.0000000), wk = 0.0026316 k( 235) = ( -0.2368421 0.2336995 0.0000000), wk = 0.0026316 k( 236) = ( -0.2500000 0.2466828 0.0000000), wk = 0.0026316 k( 237) = ( -0.2631579 0.2596660 0.0000000), wk = 0.0026316 k( 238) = ( -0.2763158 0.2726494 0.0000000), wk = 0.0026316 k( 239) = ( -0.2894737 0.2856327 0.0000000), wk = 0.0026316 k( 240) = ( -0.3026316 0.2986160 0.0000000), wk = 0.0026316 k( 241) = ( -0.3157895 0.3115993 0.0000000), wk = 0.0026316 k( 242) = ( -0.3289474 0.3245826 0.0000000), wk = 0.0026316 k( 243) = ( -0.3421053 0.3375659 0.0000000), wk = 0.0026316 k( 244) = ( -0.3552632 0.3505492 0.0000000), wk = 0.0026316 k( 245) = ( -0.3684211 0.3635325 0.0000000), wk = 0.0026316 k( 246) = ( -0.3815789 0.3765158 0.0000000), wk = 0.0026316 k( 247) = ( -0.3947368 0.3894991 0.0000000), wk = 0.0026316 k( 248) = ( -0.4078947 0.4024824 0.0000000), wk = 0.0026316 k( 249) = ( -0.4210526 0.4154657 0.0000000), wk = 0.0026316 k( 250) = ( -0.4342105 0.4284490 0.0000000), wk = 0.0026316 k( 251) = ( -0.4473684 0.4414323 0.0000000), wk = 0.0026316 k( 252) = ( -0.4605263 0.4544156 0.0000000), wk = 0.0026316 k( 253) = ( -0.4736842 0.4673989 0.0000000), wk = 0.0026316 k( 254) = ( -0.4868421 0.4803822 0.0000000), wk = 0.0026316 k( 255) = ( -0.5000000 0.4933655 0.0000000), wk = 0.0026316 k( 256) = ( -0.5000000 0.4933655 0.0000000), wk = 0.0026316 k( 257) = ( -0.4934095 0.5000446 -0.0000000), wk = 0.0026316 k( 258) = ( -0.4934095 0.5000446 -0.0000000), wk = 0.0026316 k( 259) = ( -0.4934095 0.5000446 0.0183812), wk = 0.0026316 k( 260) = ( -0.4934095 0.5000446 0.0367623), wk = 0.0026316 k( 261) = ( -0.4934095 0.5000446 0.0551435), wk = 0.0026316 k( 262) = ( -0.4934095 0.5000446 0.0735247), wk = 0.0026316 k( 263) = ( -0.4934095 0.5000446 0.0919058), wk = 0.0026316 k( 264) = ( -0.4934095 0.5000446 0.1102870), wk = 0.0026316 k( 265) = ( -0.4934095 0.5000446 0.1286682), wk = 0.0026316 k( 266) = ( -0.4934095 0.5000446 0.1470493), wk = 0.0026316 k( 267) = ( -0.4934095 0.5000446 0.1654305), wk = 0.0026316 k( 268) = ( -0.4934095 0.5000446 0.1838117), wk = 0.0026316 k( 269) = ( -0.4934095 0.5000446 0.2021929), wk = 0.0026316 k( 270) = ( -0.4934095 0.5000446 0.2205740), wk = 0.0026316 k( 271) = ( -0.4934095 0.5000446 0.2389552), wk = 0.0026316 k( 272) = ( -0.4934095 0.5000446 0.2573364), wk = 0.0026316 k( 273) = ( -0.4934095 0.5000446 0.2757175), wk = 0.0026316 k( 274) = ( -0.4934095 0.5000446 0.2940987), wk = 0.0026316 k( 275) = ( -0.4934095 0.5000446 0.3124799), wk = 0.0026316 k( 276) = ( -0.4934095 0.5000446 0.3308610), wk = 0.0026316 k( 277) = ( -0.4934095 0.5000446 0.3492422), wk = 0.0026316 k( 278) = ( -0.4934095 0.5000446 0.3676234), wk = 0.0026316 k( 279) = ( -0.4934095 0.5000446 0.3860045), wk = 0.0026316 k( 280) = ( -0.4934095 0.5000446 0.4043857), wk = 0.0026316 k( 281) = ( -0.4934095 0.5000446 0.4227669), wk = 0.0026316 k( 282) = ( -0.4934095 0.5000446 0.4411480), wk = 0.0026316 k( 283) = ( -0.4934095 0.5000446 0.4595292), wk = 0.0026316 k( 284) = ( -0.4934095 0.5000446 0.4779104), wk = 0.0026316 k( 285) = ( -0.4934095 0.5000446 0.4962916), wk = 0.0026316 k( 286) = ( -0.4934095 0.5000446 0.5146727), wk = 0.0026316 k( 287) = ( -0.4934095 0.5000446 0.5330539), wk = 0.0026316 k( 288) = ( -0.4934095 0.5000446 0.5514351), wk = 0.0026316 k( 289) = ( -0.4934095 0.5000446 0.5698162), wk = 0.0026316 k( 290) = ( -0.4934095 0.5000446 0.5881974), wk = 0.0026316 k( 291) = ( -0.4934095 0.5000446 0.6065786), wk = 0.0026316 k( 292) = ( -0.4934095 0.5000446 0.6249597), wk = 0.0026316 k( 293) = ( -0.4934095 0.5000446 0.6433409), wk = 0.0026316 k( 294) = ( -0.4934095 0.5000446 0.6617221), wk = 0.0026316 k( 295) = ( -0.4934095 0.5000446 0.6801032), wk = 0.0026316 k( 296) = ( -0.4934095 0.5000446 0.6984844), wk = 0.0026316 k( 297) = ( -0.4934095 0.5000446 0.7168656), wk = 0.0026316 k( 298) = ( -0.4934095 0.5000446 0.7352467), wk = 0.0026316 k( 299) = ( -0.4934095 0.5000446 0.7352467), wk = 0.0026316 k( 300) = ( -0.5000000 0.4933655 0.7352467), wk = 0.0026316 k( 301) = ( -0.5000000 0.4933655 0.7352467), wk = 0.0026316 k( 302) = ( -0.5000000 0.4933655 0.7168656), wk = 0.0026316 k( 303) = ( -0.5000000 0.4933655 0.6984844), wk = 0.0026316 k( 304) = ( -0.5000000 0.4933655 0.6801032), wk = 0.0026316 k( 305) = ( -0.5000000 0.4933655 0.6617221), wk = 0.0026316 k( 306) = ( -0.5000000 0.4933655 0.6433409), wk = 0.0026316 k( 307) = ( -0.5000000 0.4933655 0.6249597), wk = 0.0026316 k( 308) = ( -0.5000000 0.4933655 0.6065786), wk = 0.0026316 k( 309) = ( -0.5000000 0.4933655 0.5881974), wk = 0.0026316 k( 310) = ( -0.5000000 0.4933655 0.5698162), wk = 0.0026316 k( 311) = ( -0.5000000 0.4933655 0.5514351), wk = 0.0026316 k( 312) = ( -0.5000000 0.4933655 0.5330539), wk = 0.0026316 k( 313) = ( -0.5000000 0.4933655 0.5146727), wk = 0.0026316 k( 314) = ( -0.5000000 0.4933655 0.4962916), wk = 0.0026316 k( 315) = ( -0.5000000 0.4933655 0.4779104), wk = 0.0026316 k( 316) = ( -0.5000000 0.4933655 0.4595292), wk = 0.0026316 k( 317) = ( -0.5000000 0.4933655 0.4411480), wk = 0.0026316 k( 318) = ( -0.5000000 0.4933655 0.4227669), wk = 0.0026316 k( 319) = ( -0.5000000 0.4933655 0.4043857), wk = 0.0026316 k( 320) = ( -0.5000000 0.4933655 0.3860045), wk = 0.0026316 k( 321) = ( -0.5000000 0.4933655 0.3676234), wk = 0.0026316 k( 322) = ( -0.5000000 0.4933655 0.3492422), wk = 0.0026316 k( 323) = ( -0.5000000 0.4933655 0.3308610), wk = 0.0026316 k( 324) = ( -0.5000000 0.4933655 0.3124799), wk = 0.0026316 k( 325) = ( -0.5000000 0.4933655 0.2940987), wk = 0.0026316 k( 326) = ( -0.5000000 0.4933655 0.2757175), wk = 0.0026316 k( 327) = ( -0.5000000 0.4933655 0.2573364), wk = 0.0026316 k( 328) = ( -0.5000000 0.4933655 0.2389552), wk = 0.0026316 k( 329) = ( -0.5000000 0.4933655 0.2205740), wk = 0.0026316 k( 330) = ( -0.5000000 0.4933655 0.2021929), wk = 0.0026316 k( 331) = ( -0.5000000 0.4933655 0.1838117), wk = 0.0026316 k( 332) = ( -0.5000000 0.4933655 0.1654305), wk = 0.0026316 k( 333) = ( -0.5000000 0.4933655 0.1470493), wk = 0.0026316 k( 334) = ( -0.5000000 0.4933655 0.1286682), wk = 0.0026316 k( 335) = ( -0.5000000 0.4933655 0.1102870), wk = 0.0026316 k( 336) = ( -0.5000000 0.4933655 0.0919058), wk = 0.0026316 k( 337) = ( -0.5000000 0.4933655 0.0735247), wk = 0.0026316 k( 338) = ( -0.5000000 0.4933655 0.0551435), wk = 0.0026316 k( 339) = ( -0.5000000 0.4933655 0.0367623), wk = 0.0026316 k( 340) = ( -0.5000000 0.4933655 0.0183812), wk = 0.0026316 k( 341) = ( -0.5000000 0.4933655 0.0000000), wk = 0.0026316 k( 342) = ( 0.0000000 0.0000000 0.7352467), wk = 0.0026316 k( 343) = ( -0.0131579 0.0129833 0.7352467), wk = 0.0026316 k( 344) = ( -0.0263158 0.0259666 0.7352467), wk = 0.0026316 k( 345) = ( -0.0394737 0.0389499 0.7352467), wk = 0.0026316 k( 346) = ( -0.0526316 0.0519332 0.7352467), wk = 0.0026316 k( 347) = ( -0.0657895 0.0649165 0.7352467), wk = 0.0026316 k( 348) = ( -0.0789474 0.0778998 0.7352467), wk = 0.0026316 k( 349) = ( -0.0921053 0.0908831 0.7352467), wk = 0.0026316 k( 350) = ( -0.1052632 0.1038664 0.7352467), wk = 0.0026316 k( 351) = ( -0.1184210 0.1168497 0.7352467), wk = 0.0026316 k( 352) = ( -0.1315790 0.1298330 0.7352467), wk = 0.0026316 k( 353) = ( -0.1447368 0.1428163 0.7352467), wk = 0.0026316 k( 354) = ( -0.1578947 0.1557996 0.7352467), wk = 0.0026316 k( 355) = ( -0.1710526 0.1687829 0.7352467), wk = 0.0026316 k( 356) = ( -0.1842105 0.1817662 0.7352467), wk = 0.0026316 k( 357) = ( -0.1973684 0.1947495 0.7352467), wk = 0.0026316 k( 358) = ( -0.2105263 0.2077328 0.7352467), wk = 0.0026316 k( 359) = ( -0.2236842 0.2207161 0.7352467), wk = 0.0026316 k( 360) = ( -0.2368421 0.2336995 0.7352467), wk = 0.0026316 k( 361) = ( -0.2500000 0.2466828 0.7352467), wk = 0.0026316 k( 362) = ( -0.2631579 0.2596660 0.7352467), wk = 0.0026316 k( 363) = ( -0.2763158 0.2726494 0.7352467), wk = 0.0026316 k( 364) = ( -0.2894737 0.2856327 0.7352467), wk = 0.0026316 k( 365) = ( -0.3026316 0.2986160 0.7352467), wk = 0.0026316 k( 366) = ( -0.3157895 0.3115993 0.7352467), wk = 0.0026316 k( 367) = ( -0.3289474 0.3245826 0.7352467), wk = 0.0026316 k( 368) = ( -0.3421053 0.3375659 0.7352467), wk = 0.0026316 k( 369) = ( -0.3552632 0.3505492 0.7352467), wk = 0.0026316 k( 370) = ( -0.3684211 0.3635325 0.7352467), wk = 0.0026316 k( 371) = ( -0.3815789 0.3765158 0.7352467), wk = 0.0026316 k( 372) = ( -0.3947368 0.3894991 0.7352467), wk = 0.0026316 k( 373) = ( -0.4078947 0.4024824 0.7352467), wk = 0.0026316 k( 374) = ( -0.4210526 0.4154657 0.7352467), wk = 0.0026316 k( 375) = ( -0.4342105 0.4284490 0.7352467), wk = 0.0026316 k( 376) = ( -0.4473684 0.4414323 0.7352467), wk = 0.0026316 k( 377) = ( -0.4605263 0.4544156 0.7352467), wk = 0.0026316 k( 378) = ( -0.4736842 0.4673989 0.7352467), wk = 0.0026316 k( 379) = ( -0.4868421 0.4803822 0.7352467), wk = 0.0026316 k( 380) = ( -0.5000000 0.4933655 0.7352467), wk = 0.0026316 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0129845 0.0129845 0.0000000), wk = 0.0026316 k( 3) = ( 0.0259689 0.0259689 0.0000000), wk = 0.0026316 k( 4) = ( 0.0389534 0.0389534 0.0000000), wk = 0.0026316 k( 5) = ( 0.0519378 0.0519378 0.0000000), wk = 0.0026316 k( 6) = ( 0.0649223 0.0649223 -0.0000000), wk = 0.0026316 k( 7) = ( 0.0779068 0.0779068 0.0000000), wk = 0.0026316 k( 8) = ( 0.0908912 0.0908912 -0.0000000), wk = 0.0026316 k( 9) = ( 0.1038757 0.1038757 -0.0000000), wk = 0.0026316 k( 10) = ( 0.1168601 0.1168601 -0.0000000), wk = 0.0026316 k( 11) = ( 0.1298446 0.1298446 -0.0000000), wk = 0.0026316 k( 12) = ( 0.1428291 0.1428291 -0.0000000), wk = 0.0026316 k( 13) = ( 0.1558135 0.1558135 0.0000000), wk = 0.0026316 k( 14) = ( 0.1687980 0.1687980 -0.0000000), wk = 0.0026316 k( 15) = ( 0.1817825 0.1817825 -0.0000000), wk = 0.0026316 k( 16) = ( 0.1947669 0.1947669 -0.0000000), wk = 0.0026316 k( 17) = ( 0.2077514 0.2077514 -0.0000000), wk = 0.0026316 k( 18) = ( 0.2207358 0.2207358 -0.0000000), wk = 0.0026316 k( 19) = ( 0.2337203 0.2337203 -0.0000000), wk = 0.0026316 k( 20) = ( 0.2467048 0.2467048 -0.0000000), wk = 0.0026316 k( 21) = ( 0.2596892 0.2596892 -0.0000000), wk = 0.0026316 k( 22) = ( 0.2726737 0.2726737 -0.0000000), wk = 0.0026316 k( 23) = ( 0.2856581 0.2856581 -0.0000000), wk = 0.0026316 k( 24) = ( 0.2986426 0.2986426 -0.0000000), wk = 0.0026316 k( 25) = ( 0.3116271 0.3116271 0.0000000), wk = 0.0026316 k( 26) = ( 0.3246115 0.3246115 -0.0000000), wk = 0.0026316 k( 27) = ( 0.3375960 0.3375960 0.0000000), wk = 0.0026316 k( 28) = ( 0.3505804 0.3505804 -0.0000000), wk = 0.0026316 k( 29) = ( 0.3635649 0.3635649 -0.0000000), wk = 0.0026316 k( 30) = ( 0.3765494 0.3765494 -0.0000000), wk = 0.0026316 k( 31) = ( 0.3895338 0.3895338 -0.0000000), wk = 0.0026316 k( 32) = ( 0.4025183 0.4025183 0.0000000), wk = 0.0026316 k( 33) = ( 0.4155027 0.4155027 -0.0000000), wk = 0.0026316 k( 34) = ( 0.4284872 0.4284872 -0.0000000), wk = 0.0026316 k( 35) = ( 0.4414717 0.4414717 -0.0000000), wk = 0.0026316 k( 36) = ( 0.4544561 0.4544561 -0.0000000), wk = 0.0026316 k( 37) = ( 0.4674406 0.4674406 -0.0000000), wk = 0.0026316 k( 38) = ( 0.4804251 0.4804251 -0.0000000), wk = 0.0026316 k( 39) = ( 0.4934095 0.4934095 -0.0000000), wk = 0.0026316 k( 40) = ( 0.4934095 0.4934095 -0.0000000), wk = 0.0026316 k( 41) = ( 0.4751351 0.4936536 0.0000000), wk = 0.0026316 k( 42) = ( 0.4568607 0.4938977 -0.0000000), wk = 0.0026316 k( 43) = ( 0.4385862 0.4941418 0.0000000), wk = 0.0026316 k( 44) = ( 0.4203118 0.4943859 0.0000000), wk = 0.0026316 k( 45) = ( 0.4020374 0.4946300 -0.0000000), wk = 0.0026316 k( 46) = ( 0.3837630 0.4948741 -0.0000000), wk = 0.0026316 k( 47) = ( 0.3654885 0.4951182 -0.0000000), wk = 0.0026316 k( 48) = ( 0.3472141 0.4953623 0.0000000), wk = 0.0026316 k( 49) = ( 0.3289397 0.4956063 0.0000000), wk = 0.0026316 k( 50) = ( 0.3106653 0.4958504 -0.0000000), wk = 0.0026316 k( 51) = ( 0.2923908 0.4960945 -0.0000000), wk = 0.0026316 k( 52) = ( 0.2741164 0.4963386 -0.0000000), wk = 0.0026316 k( 53) = ( 0.2558420 0.4965827 -0.0000000), wk = 0.0026316 k( 54) = ( 0.2375675 0.4968268 0.0000000), wk = 0.0026316 k( 55) = ( 0.2192931 0.4970709 0.0000000), wk = 0.0026316 k( 56) = ( 0.2010187 0.4973150 -0.0000000), wk = 0.0026316 k( 57) = ( 0.1827443 0.4975591 0.0000000), wk = 0.0026316 k( 58) = ( 0.1644698 0.4978032 -0.0000000), wk = 0.0026316 k( 59) = ( 0.1461954 0.4980473 0.0000000), wk = 0.0026316 k( 60) = ( 0.1279210 0.4982914 0.0000000), wk = 0.0026316 k( 61) = ( 0.1096466 0.4985355 0.0000000), wk = 0.0026316 k( 62) = ( 0.0913721 0.4987795 0.0000000), wk = 0.0026316 k( 63) = ( 0.0730977 0.4990236 -0.0000000), wk = 0.0026316 k( 64) = ( 0.0548233 0.4992677 -0.0000000), wk = 0.0026316 k( 65) = ( 0.0365489 0.4995118 0.0000000), wk = 0.0026316 k( 66) = ( 0.0182744 0.4997559 -0.0000000), wk = 0.0026316 k( 67) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026316 k( 68) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026316 k( 69) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0026316 k( 70) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0026316 k( 71) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0026316 k( 72) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0026316 k( 73) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0026316 k( 74) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0026316 k( 75) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0026316 k( 76) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0026316 k( 77) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0026316 k( 78) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0026316 k( 79) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0026316 k( 80) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0026316 k( 81) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0026316 k( 82) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0026316 k( 83) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0026316 k( 84) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0026316 k( 85) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0026316 k( 86) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0026316 k( 87) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0026316 k( 88) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026316 k( 89) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0026316 k( 90) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0026316 k( 91) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0026316 k( 92) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0026316 k( 93) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0026316 k( 94) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0026316 k( 95) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0026316 k( 96) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0026316 k( 97) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0026316 k( 98) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0026316 k( 99) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0026316 k( 100) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0026316 k( 101) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0026316 k( 102) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0026316 k( 103) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0026316 k( 104) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0026316 k( 105) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0026316 k( 106) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0026316 k( 107) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0026316 k( 108) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026316 k( 109) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026316 k( 110) = ( 0.0182744 0.4997559 0.5000000), wk = 0.0026316 k( 111) = ( 0.0365489 0.4995118 0.5000000), wk = 0.0026316 k( 112) = ( 0.0548233 0.4992677 0.5000000), wk = 0.0026316 k( 113) = ( 0.0730977 0.4990236 0.5000000), wk = 0.0026316 k( 114) = ( 0.0913721 0.4987795 0.5000000), wk = 0.0026316 k( 115) = ( 0.1096466 0.4985355 0.5000000), wk = 0.0026316 k( 116) = ( 0.1279210 0.4982914 0.5000000), wk = 0.0026316 k( 117) = ( 0.1461954 0.4980473 0.5000000), wk = 0.0026316 k( 118) = ( 0.1644698 0.4978032 0.5000000), wk = 0.0026316 k( 119) = ( 0.1827443 0.4975591 0.5000000), wk = 0.0026316 k( 120) = ( 0.2010187 0.4973150 0.5000000), wk = 0.0026316 k( 121) = ( 0.2192931 0.4970709 0.5000000), wk = 0.0026316 k( 122) = ( 0.2375675 0.4968268 0.5000000), wk = 0.0026316 k( 123) = ( 0.2558420 0.4965827 0.5000000), wk = 0.0026316 k( 124) = ( 0.2741164 0.4963386 0.5000000), wk = 0.0026316 k( 125) = ( 0.2923908 0.4960945 0.5000000), wk = 0.0026316 k( 126) = ( 0.3106653 0.4958504 0.5000000), wk = 0.0026316 k( 127) = ( 0.3289397 0.4956063 0.5000000), wk = 0.0026316 k( 128) = ( 0.3472141 0.4953623 0.5000000), wk = 0.0026316 k( 129) = ( 0.3654885 0.4951182 0.5000000), wk = 0.0026316 k( 130) = ( 0.3837630 0.4948741 0.5000000), wk = 0.0026316 k( 131) = ( 0.4020374 0.4946300 0.5000000), wk = 0.0026316 k( 132) = ( 0.4203118 0.4943859 0.5000000), wk = 0.0026316 k( 133) = ( 0.4385862 0.4941418 0.5000000), wk = 0.0026316 k( 134) = ( 0.4568607 0.4938977 0.5000000), wk = 0.0026316 k( 135) = ( 0.4751351 0.4936536 0.5000000), wk = 0.0026316 k( 136) = ( 0.4934095 0.4934095 0.5000000), wk = 0.0026316 k( 137) = ( 0.4934095 0.4934095 0.5000000), wk = 0.0026316 k( 138) = ( 0.4804251 0.4804251 0.5000000), wk = 0.0026316 k( 139) = ( 0.4674406 0.4674406 0.5000000), wk = 0.0026316 k( 140) = ( 0.4544561 0.4544561 0.5000000), wk = 0.0026316 k( 141) = ( 0.4414717 0.4414717 0.5000000), wk = 0.0026316 k( 142) = ( 0.4284872 0.4284872 0.5000000), wk = 0.0026316 k( 143) = ( 0.4155027 0.4155027 0.5000000), wk = 0.0026316 k( 144) = ( 0.4025183 0.4025183 0.5000000), wk = 0.0026316 k( 145) = ( 0.3895338 0.3895338 0.5000000), wk = 0.0026316 k( 146) = ( 0.3765494 0.3765494 0.5000000), wk = 0.0026316 k( 147) = ( 0.3635649 0.3635649 0.5000000), wk = 0.0026316 k( 148) = ( 0.3505804 0.3505804 0.5000000), wk = 0.0026316 k( 149) = ( 0.3375960 0.3375960 0.5000000), wk = 0.0026316 k( 150) = ( 0.3246115 0.3246115 0.5000000), wk = 0.0026316 k( 151) = ( 0.3116271 0.3116271 0.5000000), wk = 0.0026316 k( 152) = ( 0.2986426 0.2986426 0.5000000), wk = 0.0026316 k( 153) = ( 0.2856581 0.2856581 0.5000000), wk = 0.0026316 k( 154) = ( 0.2726737 0.2726737 0.5000000), wk = 0.0026316 k( 155) = ( 0.2596892 0.2596892 0.5000000), wk = 0.0026316 k( 156) = ( 0.2467048 0.2467048 0.5000000), wk = 0.0026316 k( 157) = ( 0.2337203 0.2337203 0.5000000), wk = 0.0026316 k( 158) = ( 0.2207358 0.2207358 0.5000000), wk = 0.0026316 k( 159) = ( 0.2077514 0.2077514 0.5000000), wk = 0.0026316 k( 160) = ( 0.1947669 0.1947669 0.5000000), wk = 0.0026316 k( 161) = ( 0.1817825 0.1817825 0.5000000), wk = 0.0026316 k( 162) = ( 0.1687980 0.1687980 0.5000000), wk = 0.0026316 k( 163) = ( 0.1558135 0.1558135 0.5000000), wk = 0.0026316 k( 164) = ( 0.1428291 0.1428291 0.5000000), wk = 0.0026316 k( 165) = ( 0.1298446 0.1298446 0.5000000), wk = 0.0026316 k( 166) = ( 0.1168601 0.1168601 0.5000000), wk = 0.0026316 k( 167) = ( 0.1038757 0.1038757 0.5000000), wk = 0.0026316 k( 168) = ( 0.0908912 0.0908912 0.5000000), wk = 0.0026316 k( 169) = ( 0.0779068 0.0779068 0.5000000), wk = 0.0026316 k( 170) = ( 0.0649223 0.0649223 0.5000000), wk = 0.0026316 k( 171) = ( 0.0519378 0.0519378 0.5000000), wk = 0.0026316 k( 172) = ( 0.0389534 0.0389534 0.5000000), wk = 0.0026316 k( 173) = ( 0.0259689 0.0259689 0.5000000), wk = 0.0026316 k( 174) = ( 0.0129845 0.0129845 0.5000000), wk = 0.0026316 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 177) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0026316 k( 178) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0026316 k( 179) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0026316 k( 180) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0026316 k( 181) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0026316 k( 182) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0026316 k( 183) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0026316 k( 184) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0026316 k( 185) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0026316 k( 186) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026316 k( 187) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0026316 k( 188) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0026316 k( 189) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0026316 k( 190) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0026316 k( 191) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0026316 k( 192) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0026316 k( 193) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0026316 k( 194) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0026316 k( 195) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0026316 k( 196) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026316 k( 197) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0026316 k( 198) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0026316 k( 199) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0026316 k( 200) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0026316 k( 201) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0026316 k( 202) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0026316 k( 203) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0026316 k( 204) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0026316 k( 205) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0026316 k( 206) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026316 k( 207) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0026316 k( 208) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0026316 k( 209) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0026316 k( 210) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0026316 k( 211) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0026316 k( 212) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0026316 k( 213) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0026316 k( 214) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0026316 k( 215) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0026316 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 218) = ( -0.0131579 0.0131579 -0.0000000), wk = 0.0026316 k( 219) = ( -0.0263158 0.0263158 0.0000000), wk = 0.0026316 k( 220) = ( -0.0394737 0.0394737 0.0000000), wk = 0.0026316 k( 221) = ( -0.0526316 0.0526316 0.0000000), wk = 0.0026316 k( 222) = ( -0.0657895 0.0657895 0.0000000), wk = 0.0026316 k( 223) = ( -0.0789474 0.0789474 0.0000000), wk = 0.0026316 k( 224) = ( -0.0921053 0.0921053 -0.0000000), wk = 0.0026316 k( 225) = ( -0.1052632 0.1052632 0.0000000), wk = 0.0026316 k( 226) = ( -0.1184210 0.1184210 -0.0000000), wk = 0.0026316 k( 227) = ( -0.1315790 0.1315790 0.0000000), wk = 0.0026316 k( 228) = ( -0.1447368 0.1447368 -0.0000000), wk = 0.0026316 k( 229) = ( -0.1578947 0.1578947 0.0000000), wk = 0.0026316 k( 230) = ( -0.1710526 0.1710526 0.0000000), wk = 0.0026316 k( 231) = ( -0.1842105 0.1842105 0.0000000), wk = 0.0026316 k( 232) = ( -0.1973684 0.1973684 0.0000000), wk = 0.0026316 k( 233) = ( -0.2105263 0.2105263 0.0000000), wk = 0.0026316 k( 234) = ( -0.2236842 0.2236842 0.0000000), wk = 0.0026316 k( 235) = ( -0.2368421 0.2368421 0.0000000), wk = 0.0026316 k( 236) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0026316 k( 237) = ( -0.2631579 0.2631579 0.0000000), wk = 0.0026316 k( 238) = ( -0.2763158 0.2763158 0.0000000), wk = 0.0026316 k( 239) = ( -0.2894737 0.2894737 -0.0000000), wk = 0.0026316 k( 240) = ( -0.3026316 0.3026316 0.0000000), wk = 0.0026316 k( 241) = ( -0.3157895 0.3157895 -0.0000000), wk = 0.0026316 k( 242) = ( -0.3289474 0.3289474 0.0000000), wk = 0.0026316 k( 243) = ( -0.3421053 0.3421053 0.0000000), wk = 0.0026316 k( 244) = ( -0.3552632 0.3552632 0.0000000), wk = 0.0026316 k( 245) = ( -0.3684211 0.3684211 0.0000000), wk = 0.0026316 k( 246) = ( -0.3815789 0.3815789 0.0000000), wk = 0.0026316 k( 247) = ( -0.3947368 0.3947368 0.0000000), wk = 0.0026316 k( 248) = ( -0.4078947 0.4078947 0.0000000), wk = 0.0026316 k( 249) = ( -0.4210526 0.4210526 0.0000000), wk = 0.0026316 k( 250) = ( -0.4342105 0.4342105 0.0000000), wk = 0.0026316 k( 251) = ( -0.4473684 0.4473684 0.0000000), wk = 0.0026316 k( 252) = ( -0.4605263 0.4605263 0.0000000), wk = 0.0026316 k( 253) = ( -0.4736842 0.4736842 0.0000000), wk = 0.0026316 k( 254) = ( -0.4868421 0.4868421 0.0000000), wk = 0.0026316 k( 255) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026316 k( 256) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026316 k( 257) = ( -0.4934095 0.5065905 0.0000000), wk = 0.0026316 k( 258) = ( -0.4934095 0.5065905 0.0000000), wk = 0.0026316 k( 259) = ( -0.4934095 0.5065905 0.0125000), wk = 0.0026316 k( 260) = ( -0.4934095 0.5065905 0.0250000), wk = 0.0026316 k( 261) = ( -0.4934095 0.5065905 0.0375000), wk = 0.0026316 k( 262) = ( -0.4934095 0.5065905 0.0500000), wk = 0.0026316 k( 263) = ( -0.4934095 0.5065905 0.0625000), wk = 0.0026316 k( 264) = ( -0.4934095 0.5065905 0.0750000), wk = 0.0026316 k( 265) = ( -0.4934095 0.5065905 0.0875000), wk = 0.0026316 k( 266) = ( -0.4934095 0.5065905 0.1000000), wk = 0.0026316 k( 267) = ( -0.4934095 0.5065905 0.1125000), wk = 0.0026316 k( 268) = ( -0.4934095 0.5065905 0.1250000), wk = 0.0026316 k( 269) = ( -0.4934095 0.5065905 0.1375000), wk = 0.0026316 k( 270) = ( -0.4934095 0.5065905 0.1500000), wk = 0.0026316 k( 271) = ( -0.4934095 0.5065905 0.1625000), wk = 0.0026316 k( 272) = ( -0.4934095 0.5065905 0.1750000), wk = 0.0026316 k( 273) = ( -0.4934095 0.5065905 0.1875000), wk = 0.0026316 k( 274) = ( -0.4934095 0.5065905 0.2000000), wk = 0.0026316 k( 275) = ( -0.4934095 0.5065905 0.2125000), wk = 0.0026316 k( 276) = ( -0.4934095 0.5065905 0.2250000), wk = 0.0026316 k( 277) = ( -0.4934095 0.5065905 0.2375000), wk = 0.0026316 k( 278) = ( -0.4934095 0.5065905 0.2500000), wk = 0.0026316 k( 279) = ( -0.4934095 0.5065905 0.2625000), wk = 0.0026316 k( 280) = ( -0.4934095 0.5065905 0.2750000), wk = 0.0026316 k( 281) = ( -0.4934095 0.5065905 0.2875000), wk = 0.0026316 k( 282) = ( -0.4934095 0.5065905 0.3000000), wk = 0.0026316 k( 283) = ( -0.4934095 0.5065905 0.3125000), wk = 0.0026316 k( 284) = ( -0.4934095 0.5065905 0.3250000), wk = 0.0026316 k( 285) = ( -0.4934095 0.5065905 0.3375000), wk = 0.0026316 k( 286) = ( -0.4934095 0.5065905 0.3500000), wk = 0.0026316 k( 287) = ( -0.4934095 0.5065905 0.3625000), wk = 0.0026316 k( 288) = ( -0.4934095 0.5065905 0.3750000), wk = 0.0026316 k( 289) = ( -0.4934095 0.5065905 0.3875000), wk = 0.0026316 k( 290) = ( -0.4934095 0.5065905 0.4000000), wk = 0.0026316 k( 291) = ( -0.4934095 0.5065905 0.4125000), wk = 0.0026316 k( 292) = ( -0.4934095 0.5065905 0.4250000), wk = 0.0026316 k( 293) = ( -0.4934095 0.5065905 0.4375000), wk = 0.0026316 k( 294) = ( -0.4934095 0.5065905 0.4500000), wk = 0.0026316 k( 295) = ( -0.4934095 0.5065905 0.4625000), wk = 0.0026316 k( 296) = ( -0.4934095 0.5065905 0.4750000), wk = 0.0026316 k( 297) = ( -0.4934095 0.5065905 0.4875000), wk = 0.0026316 k( 298) = ( -0.4934095 0.5065905 0.5000000), wk = 0.0026316 k( 299) = ( -0.4934095 0.5065905 0.5000000), wk = 0.0026316 k( 300) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026316 k( 301) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026316 k( 302) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0026316 k( 303) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0026316 k( 304) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0026316 k( 305) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0026316 k( 306) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0026316 k( 307) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0026316 k( 308) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0026316 k( 309) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0026316 k( 310) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0026316 k( 311) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0026316 k( 312) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0026316 k( 313) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0026316 k( 314) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0026316 k( 315) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0026316 k( 316) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0026316 k( 317) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0026316 k( 318) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0026316 k( 319) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0026316 k( 320) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0026316 k( 321) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0026316 k( 322) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0026316 k( 323) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0026316 k( 324) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0026316 k( 325) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0026316 k( 326) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0026316 k( 327) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0026316 k( 328) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0026316 k( 329) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0026316 k( 330) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0026316 k( 331) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0026316 k( 332) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0026316 k( 333) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0026316 k( 334) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0026316 k( 335) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0026316 k( 336) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0026316 k( 337) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0026316 k( 338) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0026316 k( 339) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0026316 k( 340) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0026316 k( 341) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026316 k( 342) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 343) = ( -0.0131579 0.0131579 0.5000000), wk = 0.0026316 k( 344) = ( -0.0263158 0.0263158 0.5000000), wk = 0.0026316 k( 345) = ( -0.0394737 0.0394737 0.5000000), wk = 0.0026316 k( 346) = ( -0.0526316 0.0526316 0.5000000), wk = 0.0026316 k( 347) = ( -0.0657895 0.0657895 0.5000000), wk = 0.0026316 k( 348) = ( -0.0789474 0.0789474 0.5000000), wk = 0.0026316 k( 349) = ( -0.0921053 0.0921053 0.5000000), wk = 0.0026316 k( 350) = ( -0.1052632 0.1052632 0.5000000), wk = 0.0026316 k( 351) = ( -0.1184210 0.1184210 0.5000000), wk = 0.0026316 k( 352) = ( -0.1315790 0.1315790 0.5000000), wk = 0.0026316 k( 353) = ( -0.1447368 0.1447368 0.5000000), wk = 0.0026316 k( 354) = ( -0.1578947 0.1578947 0.5000000), wk = 0.0026316 k( 355) = ( -0.1710526 0.1710526 0.5000000), wk = 0.0026316 k( 356) = ( -0.1842105 0.1842105 0.5000000), wk = 0.0026316 k( 357) = ( -0.1973684 0.1973684 0.5000000), wk = 0.0026316 k( 358) = ( -0.2105263 0.2105263 0.5000000), wk = 0.0026316 k( 359) = ( -0.2236842 0.2236842 0.5000000), wk = 0.0026316 k( 360) = ( -0.2368421 0.2368421 0.5000000), wk = 0.0026316 k( 361) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026316 k( 362) = ( -0.2631579 0.2631579 0.5000000), wk = 0.0026316 k( 363) = ( -0.2763158 0.2763158 0.5000000), wk = 0.0026316 k( 364) = ( -0.2894737 0.2894737 0.5000000), wk = 0.0026316 k( 365) = ( -0.3026316 0.3026316 0.5000000), wk = 0.0026316 k( 366) = ( -0.3157895 0.3157895 0.5000000), wk = 0.0026316 k( 367) = ( -0.3289474 0.3289474 0.5000000), wk = 0.0026316 k( 368) = ( -0.3421053 0.3421053 0.5000000), wk = 0.0026316 k( 369) = ( -0.3552632 0.3552632 0.5000000), wk = 0.0026316 k( 370) = ( -0.3684211 0.3684211 0.5000000), wk = 0.0026316 k( 371) = ( -0.3815789 0.3815789 0.5000000), wk = 0.0026316 k( 372) = ( -0.3947368 0.3947368 0.5000000), wk = 0.0026316 k( 373) = ( -0.4078947 0.4078947 0.5000000), wk = 0.0026316 k( 374) = ( -0.4210526 0.4210526 0.5000000), wk = 0.0026316 k( 375) = ( -0.4342105 0.4342105 0.5000000), wk = 0.0026316 k( 376) = ( -0.4473684 0.4473684 0.5000000), wk = 0.0026316 k( 377) = ( -0.4605263 0.4605263 0.5000000), wk = 0.0026316 k( 378) = ( -0.4736842 0.4736842 0.5000000), wk = 0.0026316 k( 379) = ( -0.4868421 0.4868421 0.5000000), wk = 0.0026316 k( 380) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026316 Dense grid: 247253 G-vectors FFT dimensions: ( 90, 90, 64) Smooth grid: 38177 G-vectors FFT dimensions: ( 48, 48, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 284, 44) NL pseudopotentials 0.28 Mb ( 142, 130) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 6869) G-vector shells 0.03 Mb ( 3499) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 284, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 130, 2, 44) The potential is recalculated from file : ./CdxNClx2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.7 secs Computing kpt #: 12 total cpu time spent up to now is 7.0 secs Computing kpt #: 13 total cpu time spent up to now is 7.3 secs Computing kpt #: 14 total cpu time spent up to now is 7.6 secs Computing kpt #: 15 total cpu time spent up to now is 7.9 secs Computing kpt #: 16 total cpu time spent up to now is 8.2 secs Computing kpt #: 17 total cpu time spent up to now is 8.5 secs Computing kpt #: 18 total cpu time spent up to now is 8.8 secs Computing kpt #: 19 total cpu time spent up to now is 9.1 secs Computing kpt #: 20 total cpu time spent up to now is 9.4 secs Computing kpt #: 21 total cpu time spent up to now is 9.7 secs Computing kpt #: 22 total cpu time spent up to now is 10.0 secs Computing kpt #: 23 total cpu time spent up to now is 10.3 secs Computing kpt #: 24 total cpu time spent up to now is 10.6 secs Computing kpt #: 25 total cpu time spent up to now is 10.9 secs Computing kpt #: 26 total cpu time spent up to now is 11.3 secs Computing kpt #: 27 total cpu time spent up to now is 11.6 secs Computing kpt #: 28 total cpu time spent up to now is 11.9 secs Computing kpt #: 29 total cpu time spent up to now is 12.2 secs Computing kpt #: 30 total cpu time spent up to now is 12.6 secs Computing kpt #: 31 total cpu time spent up to now is 12.9 secs Computing kpt #: 32 total cpu time spent up to now is 13.2 secs Computing kpt #: 33 total cpu time spent up to now is 13.5 secs Computing kpt #: 34 total cpu time spent up to now is 13.8 secs Computing kpt #: 35 total cpu time spent up to now is 14.1 secs Computing kpt #: 36 total cpu time spent up to now is 14.4 secs Computing kpt #: 37 total cpu time spent up to now is 14.7 secs Computing kpt #: 38 total cpu time spent up to now is 15.1 secs Computing kpt #: 39 total cpu time spent up to now is 15.4 secs Computing kpt #: 40 total cpu time spent up to now is 15.7 secs Computing kpt #: 41 total cpu time spent up to now is 16.0 secs Computing kpt #: 42 total cpu time spent up to now is 16.3 secs Computing kpt #: 43 total cpu time spent up to now is 16.6 secs Computing kpt #: 44 total cpu time spent up to now is 16.9 secs Computing kpt #: 45 total cpu time spent up to now is 17.2 secs Computing kpt #: 46 total cpu time spent up to now is 17.5 secs Computing kpt #: 47 total cpu time spent up to now is 17.9 secs Computing kpt #: 48 total cpu time spent up to now is 18.2 secs Computing kpt #: 49 total cpu time spent up to now is 18.5 secs Computing kpt #: 50 total cpu time spent up to now is 18.8 secs Computing kpt #: 51 total cpu time spent up to now is 19.1 secs Computing kpt #: 52 total cpu time spent up to now is 19.4 secs Computing kpt #: 53 total cpu time spent up to now is 19.7 secs Computing kpt #: 54 total cpu time spent up to now is 20.1 secs Computing kpt #: 55 total cpu time spent up to now is 20.4 secs Computing kpt #: 56 total cpu time spent up to now is 20.7 secs Computing kpt #: 57 total cpu time spent up to now is 21.0 secs Computing kpt #: 58 total cpu time spent up to now is 21.3 secs Computing kpt #: 59 total cpu time spent up to now is 21.6 secs Computing kpt #: 60 total cpu time spent up to now is 21.9 secs Computing kpt #: 61 total cpu time spent up to now is 22.2 secs Computing kpt #: 62 total cpu time spent up to now is 22.5 secs Computing kpt #: 63 total cpu time spent up to now is 22.8 secs Computing kpt #: 64 total cpu time spent up to now is 23.1 secs Computing kpt #: 65 total cpu time spent up to now is 23.5 secs Computing kpt #: 66 total cpu time spent up to now is 23.8 secs Computing kpt #: 67 total cpu time spent up to now is 24.1 secs Computing kpt #: 68 total cpu time spent up to now is 24.3 secs Computing kpt #: 69 total cpu time spent up to now is 24.6 secs Computing kpt #: 70 total cpu time spent up to now is 24.9 secs Computing kpt #: 71 total cpu time spent up to now is 25.2 secs Computing kpt #: 72 total cpu time spent up to now is 25.5 secs Computing kpt #: 73 total cpu time spent up to now is 25.8 secs Computing kpt #: 74 total cpu time spent up to now is 26.1 secs Computing kpt #: 75 total cpu time spent up to now is 26.4 secs Computing kpt #: 76 total cpu time spent up to now is 26.7 secs Computing kpt #: 77 total cpu time spent up to now is 27.0 secs Computing kpt #: 78 total cpu time spent up to now is 27.3 secs Computing kpt #: 79 total cpu time spent up to now is 27.6 secs Computing kpt #: 80 total cpu time spent up to now is 27.9 secs Computing kpt #: 81 total cpu time spent up to now is 28.2 secs Computing kpt #: 82 total cpu time spent up to now is 28.5 secs Computing kpt #: 83 total cpu time spent up to now is 28.8 secs Computing kpt #: 84 total cpu time spent up to now is 29.1 secs Computing kpt #: 85 total cpu time spent up to now is 29.4 secs Computing kpt #: 86 total cpu time spent up to now is 29.7 secs Computing kpt #: 87 total cpu time spent up to now is 30.0 secs Computing kpt #: 88 total cpu time spent up to now is 30.3 secs Computing kpt #: 89 total cpu time spent up to now is 30.6 secs Computing kpt #: 90 total cpu time spent up to now is 30.9 secs Computing kpt #: 91 total cpu time spent up to now is 31.2 secs Computing kpt #: 92 total cpu time spent up to now is 31.5 secs Computing kpt #: 93 total cpu time spent up to now is 31.9 secs Computing kpt #: 94 total cpu time spent up to now is 32.2 secs Computing kpt #: 95 total cpu time spent up to now is 32.5 secs Computing kpt #: 96 total cpu time spent up to now is 32.8 secs Computing kpt #: 97 total cpu time spent up to now is 33.1 secs Computing kpt #: 98 total cpu time spent up to now is 33.4 secs Computing kpt #: 99 total cpu time spent up to now is 33.7 secs Computing kpt #: 100 total cpu time spent up to now is 34.0 secs Computing kpt #: 101 total cpu time spent up to now is 34.4 secs Computing kpt #: 102 total cpu time spent up to now is 34.7 secs Computing kpt #: 103 total cpu time spent up to now is 35.0 secs Computing kpt #: 104 total cpu time spent up to now is 35.3 secs Computing kpt #: 105 total cpu time spent up to now is 35.6 secs Computing kpt #: 106 total cpu time spent up to now is 35.9 secs Computing kpt #: 107 total cpu time spent up to now is 36.2 secs Computing kpt #: 108 total cpu time spent up to now is 36.5 secs Computing kpt #: 109 total cpu time spent up to now is 36.7 secs Computing kpt #: 110 total cpu time spent up to now is 37.0 secs Computing kpt #: 111 total cpu time spent up to now is 37.3 secs Computing kpt #: 112 total cpu time spent up to now is 37.6 secs Computing kpt #: 113 total cpu time spent up to now is 37.9 secs Computing kpt #: 114 total cpu time spent up to now is 38.2 secs Computing kpt #: 115 total cpu time spent up to now is 38.5 secs Computing kpt #: 116 total cpu time spent up to now is 38.8 secs Computing kpt #: 117 total cpu time spent up to now is 39.1 secs Computing kpt #: 118 total cpu time spent up to now is 39.4 secs Computing kpt #: 119 total cpu time spent up to now is 39.7 secs Computing kpt #: 120 total cpu time spent up to now is 40.0 secs Computing kpt #: 121 total cpu time spent up to now is 40.2 secs Computing kpt #: 122 total cpu time spent up to now is 40.5 secs Computing kpt #: 123 total cpu time spent up to now is 40.8 secs Computing kpt #: 124 total cpu time spent up to now is 41.1 secs Computing kpt #: 125 total cpu time spent up to now is 41.4 secs Computing kpt #: 126 total cpu time spent up to now is 41.7 secs Computing kpt #: 127 total cpu time spent up to now is 42.0 secs Computing kpt #: 128 total cpu time spent up to now is 42.3 secs Computing kpt #: 129 total cpu time spent up to now is 42.6 secs Computing kpt #: 130 total cpu time spent up to now is 42.9 secs Computing kpt #: 131 total cpu time spent up to now is 43.2 secs Computing kpt #: 132 total cpu time spent up to now is 43.5 secs Computing kpt #: 133 total cpu time spent up to now is 43.7 secs Computing kpt #: 134 total cpu time spent up to now is 44.0 secs Computing kpt #: 135 total cpu time spent up to now is 44.3 secs Computing kpt #: 136 total cpu time spent up to now is 44.6 secs Computing kpt #: 137 total cpu time spent up to now is 44.9 secs Computing kpt #: 138 total cpu time spent up to now is 45.2 secs Computing kpt #: 139 total cpu time spent up to now is 45.5 secs Computing kpt #: 140 total cpu time spent up to now is 45.8 secs Computing kpt #: 141 total cpu time spent up to now is 46.0 secs Computing kpt #: 142 total cpu time spent up to now is 46.3 secs Computing kpt #: 143 total cpu time spent up to now is 46.6 secs Computing kpt #: 144 total cpu time spent up to now is 46.9 secs Computing kpt #: 145 total cpu time spent up to now is 47.2 secs Computing kpt #: 146 total cpu time spent up to now is 47.5 secs Computing kpt #: 147 total cpu time spent up to now is 47.8 secs Computing kpt #: 148 total cpu time spent up to now is 48.1 secs Computing kpt #: 149 total cpu time spent up to now is 48.3 secs Computing kpt #: 150 total cpu time spent up to now is 48.6 secs Computing kpt #: 151 total cpu time spent up to now is 48.9 secs Computing kpt #: 152 total cpu time spent up to now is 49.2 secs Computing kpt #: 153 total cpu time spent up to now is 49.5 secs Computing kpt #: 154 total cpu time spent up to now is 49.8 secs Computing kpt #: 155 total cpu time spent up to now is 50.1 secs Computing kpt #: 156 total cpu time spent up to now is 50.4 secs Computing kpt #: 157 total cpu time spent up to now is 50.7 secs Computing kpt #: 158 total cpu time spent up to now is 51.0 secs Computing kpt #: 159 total cpu time spent up to now is 51.3 secs Computing kpt #: 160 total cpu time spent up to now is 51.6 secs Computing kpt #: 161 total cpu time spent up to now is 51.9 secs Computing kpt #: 162 total cpu time spent up to now is 52.2 secs Computing kpt #: 163 total cpu time spent up to now is 52.5 secs Computing kpt #: 164 total cpu time spent up to now is 52.8 secs Computing kpt #: 165 total cpu time spent up to now is 53.1 secs Computing kpt #: 166 total cpu time spent up to now is 53.4 secs Computing kpt #: 167 total cpu time spent up to now is 53.7 secs Computing kpt #: 168 total cpu time spent up to now is 54.0 secs Computing kpt #: 169 total cpu time spent up to now is 54.3 secs Computing kpt #: 170 total cpu time spent up to now is 54.6 secs Computing kpt #: 171 total cpu time spent up to now is 55.0 secs Computing kpt #: 172 total cpu time spent up to now is 55.3 secs Computing kpt #: 173 total cpu time spent up to now is 55.6 secs Computing kpt #: 174 total cpu time spent up to now is 55.9 secs Computing kpt #: 175 total cpu time spent up to now is 56.2 secs Computing kpt #: 176 total cpu time spent up to now is 56.5 secs Computing kpt #: 177 total cpu time spent up to now is 56.8 secs Computing kpt #: 178 total cpu time spent up to now is 57.1 secs Computing kpt #: 179 total cpu time spent up to now is 57.4 secs Computing kpt #: 180 total cpu time spent up to now is 57.7 secs Computing kpt #: 181 total cpu time spent up to now is 58.0 secs Computing kpt #: 182 total cpu time spent up to now is 58.4 secs Computing kpt #: 183 total cpu time spent up to now is 58.7 secs Computing kpt #: 184 total cpu time spent up to now is 59.0 secs Computing kpt #: 185 total cpu time spent up to now is 59.3 secs Computing kpt #: 186 total cpu time spent up to now is 59.6 secs Computing kpt #: 187 total cpu time spent up to now is 59.9 secs Computing kpt #: 188 total cpu time spent up to now is 60.2 secs Computing kpt #: 189 total cpu time spent up to now is 60.5 secs Computing kpt #: 190 total cpu time spent up to now is 60.9 secs Computing kpt #: 191 total cpu time spent up to now is 61.2 secs Computing kpt #: 192 total cpu time spent up to now is 61.5 secs Computing kpt #: 193 total cpu time spent up to now is 61.8 secs Computing kpt #: 194 total cpu time spent up to now is 62.1 secs Computing kpt #: 195 total cpu time spent up to now is 62.3 secs Computing kpt #: 196 total cpu time spent up to now is 62.6 secs Computing kpt #: 197 total cpu time spent up to now is 62.9 secs Computing kpt #: 198 total cpu time spent up to now is 63.2 secs Computing kpt #: 199 total cpu time spent up to now is 63.5 secs Computing kpt #: 200 total cpu time spent up to now is 63.8 secs Computing kpt #: 201 total cpu time spent up to now is 64.1 secs Computing kpt #: 202 total cpu time spent up to now is 64.3 secs Computing kpt #: 203 total cpu time spent up to now is 64.6 secs Computing kpt #: 204 total cpu time spent up to now is 64.9 secs Computing kpt #: 205 total cpu time spent up to now is 65.2 secs Computing kpt #: 206 total cpu time spent up to now is 65.4 secs Computing kpt #: 207 total cpu time spent up to now is 65.7 secs Computing kpt #: 208 total cpu time spent up to now is 66.0 secs Computing kpt #: 209 total cpu time spent up to now is 66.3 secs Computing kpt #: 210 total cpu time spent up to now is 66.5 secs Computing kpt #: 211 total cpu time spent up to now is 66.8 secs Computing kpt #: 212 total cpu time spent up to now is 67.1 secs Computing kpt #: 213 total cpu time spent up to now is 67.3 secs Computing kpt #: 214 total cpu time spent up to now is 67.6 secs Computing kpt #: 215 total cpu time spent up to now is 67.9 secs Computing kpt #: 216 total cpu time spent up to now is 68.2 secs Computing kpt #: 217 total cpu time spent up to now is 68.4 secs Computing kpt #: 218 total cpu time spent up to now is 68.7 secs Computing kpt #: 219 total cpu time spent up to now is 69.0 secs Computing kpt #: 220 total cpu time spent up to now is 69.2 secs Computing kpt #: 221 total cpu time spent up to now is 69.5 secs Computing kpt #: 222 total cpu time spent up to now is 69.8 secs Computing kpt #: 223 total cpu time spent up to now is 70.1 secs Computing kpt #: 224 total cpu time spent up to now is 70.3 secs Computing kpt #: 225 total cpu time spent up to now is 70.6 secs Computing kpt #: 226 total cpu time spent up to now is 70.9 secs Computing kpt #: 227 total cpu time spent up to now is 71.2 secs Computing kpt #: 228 total cpu time spent up to now is 71.4 secs Computing kpt #: 229 total cpu time spent up to now is 71.7 secs Computing kpt #: 230 total cpu time spent up to now is 72.0 secs Computing kpt #: 231 total cpu time spent up to now is 72.2 secs Computing kpt #: 232 total cpu time spent up to now is 72.5 secs Computing kpt #: 233 total cpu time spent up to now is 72.8 secs Computing kpt #: 234 total cpu time spent up to now is 73.1 secs Computing kpt #: 235 total cpu time spent up to now is 73.4 secs Computing kpt #: 236 total cpu time spent up to now is 73.6 secs Computing kpt #: 237 total cpu time spent up to now is 73.9 secs Computing kpt #: 238 total cpu time spent up to now is 74.2 secs Computing kpt #: 239 total cpu time spent up to now is 74.5 secs Computing kpt #: 240 total cpu time spent up to now is 74.8 secs Computing kpt #: 241 total cpu time spent up to now is 75.1 secs Computing kpt #: 242 total cpu time spent up to now is 75.4 secs Computing kpt #: 243 total cpu time spent up to now is 75.7 secs Computing kpt #: 244 total cpu time spent up to now is 76.0 secs Computing kpt #: 245 total cpu time spent up to now is 76.3 secs Computing kpt #: 246 total cpu time spent up to now is 76.6 secs Computing kpt #: 247 total cpu time spent up to now is 76.9 secs Computing kpt #: 248 total cpu time spent up to now is 77.2 secs Computing kpt #: 249 total cpu time spent up to now is 77.5 secs Computing kpt #: 250 total cpu time spent up to now is 77.8 secs Computing kpt #: 251 total cpu time spent up to now is 78.1 secs Computing kpt #: 252 total cpu time spent up to now is 78.4 secs Computing kpt #: 253 total cpu time spent up to now is 78.7 secs Computing kpt #: 254 total cpu time spent up to now is 79.0 secs Computing kpt #: 255 total cpu time spent up to now is 79.3 secs Computing kpt #: 256 total cpu time spent up to now is 79.6 secs Computing kpt #: 257 total cpu time spent up to now is 79.9 secs Computing kpt #: 258 total cpu time spent up to now is 80.2 secs Computing kpt #: 259 total cpu time spent up to now is 80.5 secs Computing kpt #: 260 total cpu time spent up to now is 80.8 secs Computing kpt #: 261 total cpu time spent up to now is 81.1 secs Computing kpt #: 262 total cpu time spent up to now is 81.4 secs Computing kpt #: 263 total cpu time spent up to now is 81.7 secs Computing kpt #: 264 total cpu time spent up to now is 82.0 secs Computing kpt #: 265 total cpu time spent up to now is 82.3 secs Computing kpt #: 266 total cpu time spent up to now is 82.6 secs Computing kpt #: 267 total cpu time spent up to now is 82.9 secs Computing kpt #: 268 total cpu time spent up to now is 83.2 secs Computing kpt #: 269 total cpu time spent up to now is 83.5 secs Computing kpt #: 270 total cpu time spent up to now is 83.8 secs Computing kpt #: 271 total cpu time spent up to now is 84.1 secs Computing kpt #: 272 total cpu time spent up to now is 84.4 secs Computing kpt #: 273 total cpu time spent up to now is 84.7 secs Computing kpt #: 274 total cpu time spent up to now is 85.0 secs Computing kpt #: 275 total cpu time spent up to now is 85.3 secs Computing kpt #: 276 total cpu time spent up to now is 85.7 secs Computing kpt #: 277 total cpu time spent up to now is 86.0 secs Computing kpt #: 278 total cpu time spent up to now is 86.3 secs Computing kpt #: 279 total cpu time spent up to now is 86.6 secs Computing kpt #: 280 total cpu time spent up to now is 86.9 secs Computing kpt #: 281 total cpu time spent up to now is 87.2 secs Computing kpt #: 282 total cpu time spent up to now is 87.5 secs Computing kpt #: 283 total cpu time spent up to now is 87.9 secs Computing kpt #: 284 total cpu time spent up to now is 88.2 secs Computing kpt #: 285 total cpu time spent up to now is 88.5 secs Computing kpt #: 286 total cpu time spent up to now is 88.8 secs Computing kpt #: 287 total cpu time spent up to now is 89.1 secs Computing kpt #: 288 total cpu time spent up to now is 89.4 secs Computing kpt #: 289 total cpu time spent up to now is 89.7 secs Computing kpt #: 290 total cpu time spent up to now is 90.0 secs Computing kpt #: 291 total cpu time spent up to now is 90.3 secs Computing kpt #: 292 total cpu time spent up to now is 90.6 secs Computing kpt #: 293 total cpu time spent up to now is 90.9 secs Computing kpt #: 294 total cpu time spent up to now is 91.2 secs Computing kpt #: 295 total cpu time spent up to now is 91.5 secs Computing kpt #: 296 total cpu time spent up to now is 91.8 secs Computing kpt #: 297 total cpu time spent up to now is 92.1 secs Computing kpt #: 298 total cpu time spent up to now is 92.4 secs Computing kpt #: 299 total cpu time spent up to now is 92.7 secs Computing kpt #: 300 total cpu time spent up to now is 93.0 secs Computing kpt #: 301 total cpu time spent up to now is 93.3 secs Computing kpt #: 302 total cpu time spent up to now is 93.6 secs Computing kpt #: 303 total cpu time spent up to now is 93.9 secs Computing kpt #: 304 total cpu time spent up to now is 94.2 secs Computing kpt #: 305 total cpu time spent up to now is 94.5 secs Computing kpt #: 306 total cpu time spent up to now is 94.8 secs Computing kpt #: 307 total cpu time spent up to now is 95.1 secs Computing kpt #: 308 total cpu time spent up to now is 95.4 secs Computing kpt #: 309 total cpu time spent up to now is 95.7 secs Computing kpt #: 310 total cpu time spent up to now is 96.0 secs Computing kpt #: 311 total cpu time spent up to now is 96.3 secs Computing kpt #: 312 total cpu time spent up to now is 96.6 secs Computing kpt #: 313 total cpu time spent up to now is 96.9 secs Computing kpt #: 314 total cpu time spent up to now is 97.2 secs Computing kpt #: 315 total cpu time spent up to now is 97.5 secs Computing kpt #: 316 total cpu time spent up to now is 97.9 secs Computing kpt #: 317 total cpu time spent up to now is 98.2 secs Computing kpt #: 318 total cpu time spent up to now is 98.5 secs Computing kpt #: 319 total cpu time spent up to now is 98.8 secs Computing kpt #: 320 total cpu time spent up to now is 99.1 secs Computing kpt #: 321 total cpu time spent up to now is 99.4 secs Computing kpt #: 322 total cpu time spent up to now is 99.7 secs Computing kpt #: 323 total cpu time spent up to now is 100.0 secs Computing kpt #: 324 total cpu time spent up to now is 100.4 secs Computing kpt #: 325 total cpu time spent up to now is 100.7 secs Computing kpt #: 326 total cpu time spent up to now is 101.0 secs Computing kpt #: 327 total cpu time spent up to now is 101.3 secs Computing kpt #: 328 total cpu time spent up to now is 101.6 secs Computing kpt #: 329 total cpu time spent up to now is 101.9 secs Computing kpt #: 330 total cpu time spent up to now is 102.2 secs Computing kpt #: 331 total cpu time spent up to now is 102.5 secs Computing kpt #: 332 total cpu time spent up to now is 102.8 secs Computing kpt #: 333 total cpu time spent up to now is 103.1 secs Computing kpt #: 334 total cpu time spent up to now is 103.4 secs Computing kpt #: 335 total cpu time spent up to now is 103.7 secs Computing kpt #: 336 total cpu time spent up to now is 104.0 secs Computing kpt #: 337 total cpu time spent up to now is 104.3 secs Computing kpt #: 338 total cpu time spent up to now is 104.6 secs Computing kpt #: 339 total cpu time spent up to now is 104.9 secs Computing kpt #: 340 total cpu time spent up to now is 105.2 secs Computing kpt #: 341 total cpu time spent up to now is 105.5 secs Computing kpt #: 342 total cpu time spent up to now is 105.8 secs Computing kpt #: 343 total cpu time spent up to now is 106.1 secs Computing kpt #: 344 total cpu time spent up to now is 106.4 secs Computing kpt #: 345 total cpu time spent up to now is 106.7 secs Computing kpt #: 346 total cpu time spent up to now is 107.0 secs Computing kpt #: 347 total cpu time spent up to now is 107.3 secs Computing kpt #: 348 total cpu time spent up to now is 107.6 secs Computing kpt #: 349 total cpu time spent up to now is 107.9 secs Computing kpt #: 350 total cpu time spent up to now is 108.2 secs Computing kpt #: 351 total cpu time spent up to now is 108.5 secs Computing kpt #: 352 total cpu time spent up to now is 108.8 secs Computing kpt #: 353 total cpu time spent up to now is 109.1 secs Computing kpt #: 354 total cpu time spent up to now is 109.4 secs Computing kpt #: 355 total cpu time spent up to now is 109.8 secs Computing kpt #: 356 total cpu time spent up to now is 110.1 secs Computing kpt #: 357 total cpu time spent up to now is 110.4 secs Computing kpt #: 358 total cpu time spent up to now is 110.7 secs Computing kpt #: 359 total cpu time spent up to now is 111.0 secs Computing kpt #: 360 total cpu time spent up to now is 111.3 secs Computing kpt #: 361 total cpu time spent up to now is 111.6 secs Computing kpt #: 362 total cpu time spent up to now is 111.9 secs Computing kpt #: 363 total cpu time spent up to now is 112.2 secs Computing kpt #: 364 total cpu time spent up to now is 112.5 secs Computing kpt #: 365 total cpu time spent up to now is 112.8 secs Computing kpt #: 366 total cpu time spent up to now is 113.1 secs Computing kpt #: 367 total cpu time spent up to now is 113.4 secs Computing kpt #: 368 total cpu time spent up to now is 113.7 secs Computing kpt #: 369 total cpu time spent up to now is 114.0 secs Computing kpt #: 370 total cpu time spent up to now is 114.3 secs Computing kpt #: 371 total cpu time spent up to now is 114.6 secs Computing kpt #: 372 total cpu time spent up to now is 114.9 secs Computing kpt #: 373 total cpu time spent up to now is 115.1 secs Computing kpt #: 374 total cpu time spent up to now is 115.5 secs Computing kpt #: 375 total cpu time spent up to now is 115.7 secs Computing kpt #: 376 total cpu time spent up to now is 116.0 secs Computing kpt #: 377 total cpu time spent up to now is 116.3 secs Computing kpt #: 378 total cpu time spent up to now is 116.6 secs Computing kpt #: 379 total cpu time spent up to now is 116.9 secs Computing kpt #: 380 total cpu time spent up to now is 117.2 secs ethr = 2.78E-08, avg # of iterations = 16.0 total cpu time spent up to now is 117.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4757 PWs) bands (ev): -13.6019 -13.6019 -13.2488 -13.2488 -12.4221 -12.4221 -11.7602 -11.7602 -7.6940 -7.6940 -7.5990 -7.5990 -7.0599 -7.0599 -6.9923 -6.9923 -6.7760 -6.7760 -3.1656 -3.1656 -1.6514 -1.6514 -1.5769 -1.5769 -1.4236 -1.4236 -1.3976 -1.3976 -0.6466 -0.6466 0.0357 0.0357 0.3740 0.3740 0.4152 0.4152 0.5160 0.5160 0.5929 0.5929 0.7014 0.7014 5.2233 5.2233 k = 0.0130 0.0132-0.0000 ( 4761 PWs) bands (ev): -13.6017 -13.6017 -13.2490 -13.2490 -12.4221 -12.4221 -11.7603 -11.7603 -7.6940 -7.6940 -7.5990 -7.5990 -7.0599 -7.0599 -6.9923 -6.9923 -6.7760 -6.7760 -3.1647 -3.1647 -1.6511 -1.6511 -1.5769 -1.5769 -1.4235 -1.4235 -1.3971 -1.3971 -0.6469 -0.6469 0.0353 0.0353 0.3725 0.3725 0.4148 0.4148 0.5159 0.5159 0.5926 0.5926 0.7007 0.7007 5.2258 5.2258 k = 0.0260 0.0263-0.0000 ( 4757 PWs) bands (ev): -13.6010 -13.6010 -13.2494 -13.2494 -12.4223 -12.4223 -11.7605 -11.7605 -7.6940 -7.6940 -7.5990 -7.5990 -7.0599 -7.0599 -6.9923 -6.9923 -6.7762 -6.7762 -3.1620 -3.1620 -1.6503 -1.6503 -1.5770 -1.5770 -1.4233 -1.4233 -1.3953 -1.3953 -0.6476 -0.6476 0.0339 0.0339 0.3680 0.3680 0.4136 0.4136 0.5157 0.5157 0.5918 0.5918 0.6987 0.6987 5.2333 5.2333 k = 0.0390 0.0395-0.0000 ( 4753 PWs) bands (ev): -13.5999 -13.5999 -13.2501 -13.2501 -12.4226 -12.4226 -11.7609 -11.7609 -7.6940 -7.6940 -7.5991 -7.5991 -7.0599 -7.0599 -6.9924 -6.9924 -6.7766 -6.7766 -3.1574 -3.1574 -1.6488 -1.6488 -1.5770 -1.5770 -1.4234 -1.4234 -1.3920 -1.3920 -0.6487 -0.6487 0.0315 0.0315 0.3604 0.3604 0.4119 0.4119 0.5152 0.5152 0.5905 0.5905 0.6954 0.6954 5.2458 5.2458 k = 0.0519 0.0526-0.0000 ( 4749 PWs) bands (ev): -13.5984 -13.5984 -13.2510 -13.2510 -12.4231 -12.4231 -11.7615 -11.7615 -7.6940 -7.6940 -7.5991 -7.5991 -7.0598 -7.0598 -6.9924 -6.9924 -6.7771 -6.7771 -3.1511 -3.1511 -1.6469 -1.6469 -1.5770 -1.5770 -1.4241 -1.4241 -1.3867 -1.3867 -0.6503 -0.6503 0.0282 0.0282 0.3498 0.3498 0.4097 0.4097 0.5146 0.5146 0.5886 0.5886 0.6906 0.6906 5.2630 5.2630 k = 0.0649 0.0658-0.0000 ( 4741 PWs) bands (ev): -13.5965 -13.5965 -13.2522 -13.2522 -12.4237 -12.4237 -11.7622 -11.7622 -7.6939 -7.6939 -7.5992 -7.5992 -7.0597 -7.0597 -6.9925 -6.9925 -6.7778 -6.7778 -3.1431 -3.1431 -1.6444 -1.6444 -1.5768 -1.5768 -1.4256 -1.4256 -1.3794 -1.3794 -0.6524 -0.6524 0.0240 0.0240 0.3363 0.3363 0.4070 0.4070 0.5138 0.5138 0.5863 0.5863 0.6844 0.6844 5.2850 5.2850 k = 0.0779 0.0790-0.0000 ( 4741 PWs) bands (ev): -13.5942 -13.5942 -13.2536 -13.2536 -12.4244 -12.4244 -11.7631 -11.7631 -7.6939 -7.6939 -7.5993 -7.5993 -7.0596 -7.0596 -6.9927 -6.9927 -6.7786 -6.7786 -3.1335 -3.1335 -1.6415 -1.6415 -1.5763 -1.5763 -1.4278 -1.4278 -1.3702 -1.3702 -0.6548 -0.6548 0.0188 0.0188 0.3199 0.3199 0.4041 0.4041 0.5128 0.5128 0.5834 0.5834 0.6766 0.6766 5.3114 5.3114 k = 0.0909 0.0921-0.0000 ( 4735 PWs) bands (ev): -13.5915 -13.5915 -13.2553 -13.2553 -12.4252 -12.4252 -11.7641 -11.7641 -7.6939 -7.6939 -7.5994 -7.5994 -7.0595 -7.0595 -6.9929 -6.9929 -6.7796 -6.7796 -3.1222 -3.1222 -1.6381 -1.6381 -1.5754 -1.5754 -1.4305 -1.4305 -1.3594 -1.3594 -0.6575 -0.6575 0.0128 0.0128 0.3011 0.3011 0.4008 0.4008 0.5117 0.5117 0.5801 0.5801 0.6672 0.6672 5.3421 5.3421 k = 0.1039 0.1053-0.0000 ( 4729 PWs) bands (ev): -13.5884 -13.5884 -13.2572 -13.2572 -12.4262 -12.4262 -11.7653 -11.7653 -7.6939 -7.6939 -7.5995 -7.5995 -7.0593 -7.0593 -6.9932 -6.9932 -6.7806 -6.7806 -3.1094 -3.1094 -1.6344 -1.6344 -1.5741 -1.5741 -1.4335 -1.4335 -1.3469 -1.3469 -0.6606 -0.6606 0.0058 0.0058 0.2800 0.2800 0.3971 0.3971 0.5103 0.5103 0.5763 0.5763 0.6562 0.6562 5.3768 5.3768 k = 0.1169 0.1184-0.0000 ( 4743 PWs) bands (ev): -13.5851 -13.5851 -13.2592 -13.2592 -12.4273 -12.4273 -11.7665 -11.7665 -7.6940 -7.6940 -7.5996 -7.5996 -7.0593 -7.0593 -6.9935 -6.9935 -6.7819 -6.7819 -3.0953 -3.0953 -1.6304 -1.6304 -1.5723 -1.5723 -1.4366 -1.4366 -1.3331 -1.3331 -0.6640 -0.6640 -0.0022 -0.0022 0.2569 0.2569 0.3930 0.3930 0.5086 0.5086 0.5719 0.5719 0.6435 0.6435 5.4152 5.4152 k = 0.1298 0.1316-0.0000 ( 4753 PWs) bands (ev): -13.5813 -13.5813 -13.2615 -13.2615 -12.4285 -12.4285 -11.7679 -11.7679 -7.6940 -7.6940 -7.5999 -7.5999 -7.0593 -7.0593 -6.9939 -6.9939 -6.7832 -6.7832 -3.0799 -3.0799 -1.6261 -1.6261 -1.5700 -1.5700 -1.4396 -1.4396 -1.3180 -1.3180 -0.6675 -0.6675 -0.0110 -0.0110 0.2321 0.2321 0.3886 0.3886 0.5068 0.5068 0.5671 0.5671 0.6293 0.6293 5.4571 5.4571 k = 0.1428 0.1447-0.0000 ( 4753 PWs) bands (ev): -13.5773 -13.5773 -13.2638 -13.2638 -12.4299 -12.4299 -11.7695 -11.7695 -7.6941 -7.6941 -7.6000 -7.6000 -7.0591 -7.0591 -6.9943 -6.9943 -6.7846 -6.7846 -3.0633 -3.0633 -1.6216 -1.6216 -1.5671 -1.5671 -1.4424 -1.4424 -1.3018 -1.3018 -0.6712 -0.6712 -0.0207 -0.0207 0.2059 0.2059 0.3837 0.3837 0.5046 0.5046 0.5618 0.5618 0.6137 0.6137 5.5020 5.5020 k = 0.1558 0.1579-0.0000 ( 4763 PWs) bands (ev): -13.5731 -13.5731 -13.2663 -13.2663 -12.4313 -12.4313 -11.7711 -11.7711 -7.6942 -7.6942 -7.6003 -7.6003 -7.0591 -7.0591 -6.9947 -6.9947 -6.7862 -6.7862 -3.0457 -3.0457 -1.6170 -1.6170 -1.5636 -1.5636 -1.4447 -1.4447 -1.2845 -1.2845 -0.6750 -0.6750 -0.0314 -0.0314 0.1784 0.1784 0.3785 0.3785 0.5021 0.5021 0.5556 0.5556 0.5971 0.5971 5.5496 5.5496 k = 0.1688 0.1711-0.0000 ( 4777 PWs) bands (ev): -13.5686 -13.5686 -13.2689 -13.2689 -12.4329 -12.4329 -11.7728 -11.7728 -7.6943 -7.6943 -7.6006 -7.6006 -7.0590 -7.0590 -6.9953 -6.9953 -6.7878 -6.7878 -3.0273 -3.0273 -1.6123 -1.6123 -1.5595 -1.5595 -1.4464 -1.4464 -1.2662 -1.2662 -0.6788 -0.6788 -0.0429 -0.0429 0.1501 0.1501 0.3729 0.3729 0.4988 0.4988 0.5482 0.5482 0.5803 0.5803 5.5996 5.5996 k = 0.1818 0.1842-0.0000 ( 4775 PWs) bands (ev): -13.5639 -13.5639 -13.2715 -13.2715 -12.4346 -12.4346 -11.7745 -11.7745 -7.6943 -7.6943 -7.6008 -7.6008 -7.0588 -7.0588 -6.9959 -6.9959 -6.7894 -6.7894 -3.0081 -3.0081 -1.6074 -1.6074 -1.5548 -1.5548 -1.4473 -1.4473 -1.2470 -1.2470 -0.6825 -0.6825 -0.0553 -0.0553 0.1210 0.1210 0.3668 0.3668 0.4943 0.4943 0.5385 0.5385 0.5650 0.5650 5.6516 5.6516 k = 0.1948 0.1974-0.0000 ( 4783 PWs) bands (ev): -13.5590 -13.5590 -13.2741 -13.2741 -12.4364 -12.4364 -11.7764 -11.7764 -7.6944 -7.6944 -7.6010 -7.6010 -7.0587 -7.0587 -6.9965 -6.9965 -6.7911 -6.7911 -2.9885 -2.9885 -1.6025 -1.6025 -1.5497 -1.5497 -1.4472 -1.4472 -1.2269 -1.2269 -0.6862 -0.6862 -0.0685 -0.0685 0.0914 0.0914 0.3604 0.3604 0.4870 0.4870 0.5261 0.5261 0.5532 0.5532 5.7052 5.7052 k = 0.2078 0.2105-0.0000 ( 4773 PWs) bands (ev): -13.5541 -13.5541 -13.2768 -13.2768 -12.4382 -12.4382 -11.7783 -11.7783 -7.6945 -7.6945 -7.6012 -7.6012 -7.0585 -7.0585 -6.9971 -6.9971 -6.7928 -6.7928 -2.9685 -2.9685 -1.5975 -1.5975 -1.5440 -1.5440 -1.4461 -1.4461 -1.2061 -1.2061 -0.6897 -0.6897 -0.0826 -0.0826 0.0616 0.0616 0.3537 0.3537 0.4742 0.4742 0.5144 0.5144 0.5445 0.5445 5.7600 5.7600 k = 0.2207 0.2237-0.0000 ( 4773 PWs) bands (ev): -13.5490 -13.5490 -13.2794 -13.2794 -12.4402 -12.4402 -11.7802 -11.7802 -7.6946 -7.6946 -7.6015 -7.6015 -7.0584 -7.0584 -6.9978 -6.9978 -6.7944 -6.7944 -2.9484 -2.9484 -1.5924 -1.5924 -1.5380 -1.5380 -1.4437 -1.4437 -1.1845 -1.1845 -0.6930 -0.6930 -0.0975 -0.0975 0.0316 0.0316 0.3466 0.3466 0.4544 0.4544 0.5064 0.5064 0.5374 0.5374 5.8155 5.8155 k = 0.2337 0.2369-0.0000 ( 4757 PWs) bands (ev): -13.5440 -13.5440 -13.2819 -13.2819 -12.4423 -12.4423 -11.7822 -11.7822 -7.6946 -7.6946 -7.6017 -7.6017 -7.0581 -7.0581 -6.9985 -6.9985 -6.7961 -6.7961 -2.9283 -2.9283 -1.5871 -1.5871 -1.5317 -1.5317 -1.4399 -1.4399 -1.1623 -1.1623 -0.6960 -0.6960 -0.1132 -0.1132 0.0018 0.0018 0.3392 0.3392 0.4296 0.4296 0.5010 0.5010 0.5311 0.5311 5.8714 5.8714 k = 0.2467 0.2500-0.0000 ( 4761 PWs) bands (ev): -13.5389 -13.5389 -13.2844 -13.2844 -12.4444 -12.4444 -11.7842 -11.7842 -7.6947 -7.6947 -7.6019 -7.6019 -7.0580 -7.0580 -6.9993 -6.9993 -6.7979 -6.7979 -2.9084 -2.9084 -1.5816 -1.5816 -1.5250 -1.5250 -1.4348 -1.4348 -1.1395 -1.1395 -0.6988 -0.6988 -0.1297 -0.1297 -0.0277 -0.0277 0.3315 0.3315 0.4016 0.4016 0.4969 0.4969 0.5252 0.5252 5.9273 5.9273 k = 0.2597 0.2632-0.0000 ( 4761 PWs) bands (ev): -13.5339 -13.5339 -13.2867 -13.2867 -12.4466 -12.4466 -11.7861 -11.7861 -7.6949 -7.6949 -7.6022 -7.6022 -7.0578 -7.0578 -7.0001 -7.0001 -6.7995 -6.7995 -2.8890 -2.8890 -1.5759 -1.5759 -1.5182 -1.5182 -1.4282 -1.4282 -1.1161 -1.1161 -0.7011 -0.7011 -0.1469 -0.1469 -0.0567 -0.0567 0.3235 0.3235 0.3716 0.3716 0.4934 0.4934 0.5197 0.5197 5.9826 5.9826 k = 0.2727 0.2763-0.0000 ( 4783 PWs) bands (ev): -13.5290 -13.5290 -13.2889 -13.2889 -12.4488 -12.4488 -11.7881 -11.7881 -7.6951 -7.6951 -7.6026 -7.6026 -7.0578 -7.0578 -7.0010 -7.0010 -6.8013 -6.8013 -2.8702 -2.8702 -1.5701 -1.5701 -1.5113 -1.5113 -1.4200 -1.4200 -1.0923 -1.0923 -0.7031 -0.7031 -0.1649 -0.1649 -0.0852 -0.0852 0.3152 0.3152 0.3401 0.3401 0.4900 0.4900 0.5145 0.5145 6.0370 6.0370 k = 0.2857 0.2895-0.0000 ( 4775 PWs) bands (ev): -13.5243 -13.5243 -13.2909 -13.2909 -12.4510 -12.4510 -11.7900 -11.7900 -7.6952 -7.6952 -7.6028 -7.6028 -7.0576 -7.0576 -7.0019 -7.0019 -6.8028 -6.8028 -2.8520 -2.8520 -1.5640 -1.5640 -1.5043 -1.5043 -1.4103 -1.4103 -1.0680 -1.0680 -0.7046 -0.7046 -0.1835 -0.1835 -0.1128 -0.1128 0.3034 0.3034 0.3106 0.3106 0.4867 0.4867 0.5098 0.5098 6.0902 6.0902 k = 0.2986 0.3027-0.0000 ( 4777 PWs) bands (ev): -13.5197 -13.5197 -13.2927 -13.2927 -12.4533 -12.4533 -11.7919 -11.7919 -7.6954 -7.6954 -7.6031 -7.6031 -7.0575 -7.0575 -7.0028 -7.0028 -6.8044 -6.8044 -2.8348 -2.8348 -1.5579 -1.5579 -1.4973 -1.4973 -1.3989 -1.3989 -1.0434 -1.0434 -0.7057 -0.7057 -0.2028 -0.2028 -0.1394 -0.1394 0.2720 0.2720 0.2996 0.2996 0.4833 0.4833 0.5054 0.5054 6.1415 6.1415 k = 0.3116 0.3158-0.0000 ( 4771 PWs) bands (ev): -13.5153 -13.5153 -13.2943 -13.2943 -12.4556 -12.4556 -11.7938 -11.7938 -7.6955 -7.6955 -7.6033 -7.6033 -7.0573 -7.0573 -7.0037 -7.0037 -6.8059 -6.8059 -2.8187 -2.8187 -1.5518 -1.5518 -1.4903 -1.4903 -1.3859 -1.3859 -1.0185 -1.0185 -0.7064 -0.7064 -0.2228 -0.2228 -0.1650 -0.1650 0.2373 0.2373 0.2911 0.2911 0.4799 0.4799 0.5015 0.5015 6.1908 6.1908 k = 0.3246 0.3290-0.0000 ( 4765 PWs) bands (ev): -13.5112 -13.5112 -13.2957 -13.2957 -12.4578 -12.4578 -11.7956 -11.7956 -7.6957 -7.6957 -7.6035 -7.6035 -7.0572 -7.0572 -7.0046 -7.0046 -6.8073 -6.8073 -2.8036 -2.8036 -1.5457 -1.5457 -1.4836 -1.4836 -1.3712 -1.3712 -0.9933 -0.9933 -0.7066 -0.7066 -0.2433 -0.2433 -0.1894 -0.1894 0.2019 0.2019 0.2828 0.2828 0.4764 0.4764 0.4980 0.4980 6.2376 6.2376 k = 0.3376 0.3421-0.0000 ( 4769 PWs) bands (ev): -13.5074 -13.5074 -13.2969 -13.2969 -12.4600 -12.4600 -11.7973 -11.7973 -7.6959 -7.6959 -7.6038 -7.6038 -7.0571 -7.0571 -7.0055 -7.0055 -6.8086 -6.8086 -2.7896 -2.7896 -1.5397 -1.5397 -1.4771 -1.4771 -1.3550 -1.3550 -0.9680 -0.9680 -0.7063 -0.7063 -0.2643 -0.2643 -0.2125 -0.2125 0.1661 0.1661 0.2745 0.2745 0.4728 0.4728 0.4949 0.4949 6.2815 6.2815 k = 0.3506 0.3553-0.0000 ( 4766 PWs) bands (ev): -13.5039 -13.5039 -13.2978 -13.2978 -12.4621 -12.4621 -11.7989 -11.7989 -7.6961 -7.6961 -7.6040 -7.6040 -7.0570 -7.0570 -7.0064 -7.0064 -6.8098 -6.8098 -2.7769 -2.7769 -1.5340 -1.5340 -1.4709 -1.4709 -1.3374 -1.3374 -0.9427 -0.9427 -0.7056 -0.7056 -0.2857 -0.2857 -0.2341 -0.2341 0.1303 0.1303 0.2666 0.2666 0.4694 0.4694 0.4922 0.4922 6.3224 6.3224 k = 0.3636 0.3685-0.0000 ( 4772 PWs) bands (ev): -13.5006 -13.5006 -13.2985 -13.2985 -12.4641 -12.4641 -11.8005 -11.8005 -7.6963 -7.6963 -7.6043 -7.6043 -7.0570 -7.0570 -7.0073 -7.0073 -6.8110 -6.8110 -2.7655 -2.7655 -1.5286 -1.5286 -1.4651 -1.4651 -1.3185 -1.3185 -0.9174 -0.9174 -0.7045 -0.7045 -0.3076 -0.3076 -0.2540 -0.2540 0.0947 0.0947 0.2588 0.2588 0.4659 0.4659 0.4898 0.4898 6.3599 6.3599 k = 0.3765 0.3816-0.0000 ( 4776 PWs) bands (ev): -13.4977 -13.4977 -13.2991 -13.2991 -12.4661 -12.4661 -11.8019 -11.8019 -7.6965 -7.6965 -7.6045 -7.6045 -7.0570 -7.0570 -7.0081 -7.0081 -6.8121 -6.8121 -2.7552 -2.7552 -1.5236 -1.5236 -1.4597 -1.4597 -1.2987 -1.2987 -0.8923 -0.8923 -0.7030 -0.7030 -0.3298 -0.3298 -0.2724 -0.2724 0.0597 0.0597 0.2515 0.2515 0.4627 0.4627 0.4877 0.4877 6.3939 6.3939 k = 0.3895 0.3948-0.0000 ( 4784 PWs) bands (ev): -13.4952 -13.4952 -13.2994 -13.2994 -12.4679 -12.4679 -11.8032 -11.8032 -7.6967 -7.6967 -7.6048 -7.6048 -7.0570 -7.0570 -7.0089 -7.0089 -6.8130 -6.8130 -2.7462 -2.7462 -1.5190 -1.5190 -1.4548 -1.4548 -1.2784 -1.2784 -0.8677 -0.8677 -0.7012 -0.7012 -0.3521 -0.3521 -0.2889 -0.2889 0.0257 0.0257 0.2445 0.2445 0.4597 0.4597 0.4859 0.4859 6.4243 6.4243 k = 0.4025 0.4079-0.0000 ( 4784 PWs) bands (ev): -13.4929 -13.4929 -13.2996 -13.2996 -12.4696 -12.4696 -11.8044 -11.8044 -7.6969 -7.6969 -7.6049 -7.6049 -7.0569 -7.0569 -7.0097 -7.0097 -6.8139 -6.8139 -2.7383 -2.7383 -1.5148 -1.5148 -1.4504 -1.4504 -1.2581 -1.2581 -0.8436 -0.8436 -0.6988 -0.6988 -0.3744 -0.3744 -0.3036 -0.3036 -0.0068 -0.0068 0.2381 0.2381 0.4569 0.4569 0.4843 0.4843 6.4510 6.4510 k = 0.4155 0.4211-0.0000 ( 4782 PWs) bands (ev): -13.4910 -13.4910 -13.2997 -13.2997 -12.4711 -12.4711 -11.8055 -11.8055 -7.6970 -7.6970 -7.6051 -7.6051 -7.0569 -7.0569 -7.0103 -7.0103 -6.8146 -6.8146 -2.7316 -2.7316 -1.5111 -1.5111 -1.4465 -1.4465 -1.2382 -1.2382 -0.8206 -0.8206 -0.6960 -0.6960 -0.3965 -0.3965 -0.3164 -0.3164 -0.0374 -0.0374 0.2323 0.2323 0.4544 0.4544 0.4829 0.4829 6.4741 6.4741 k = 0.4285 0.4342-0.0000 ( 4778 PWs) bands (ev): -13.4894 -13.4894 -13.2997 -13.2997 -12.4724 -12.4724 -11.8064 -11.8064 -7.6972 -7.6972 -7.6052 -7.6052 -7.0568 -7.0568 -7.0109 -7.0109 -6.8152 -6.8152 -2.7260 -2.7260 -1.5079 -1.5079 -1.4432 -1.4432 -1.2194 -1.2194 -0.7991 -0.7991 -0.6925 -0.6925 -0.4182 -0.4182 -0.3272 -0.3272 -0.0654 -0.0654 0.2271 0.2271 0.4523 0.4523 0.4817 0.4817 6.4937 6.4937 k = 0.4415 0.4474-0.0000 ( 4788 PWs) bands (ev): -13.4881 -13.4881 -13.2997 -13.2997 -12.4736 -12.4736 -11.8072 -11.8072 -7.6973 -7.6973 -7.6053 -7.6053 -7.0569 -7.0569 -7.0114 -7.0114 -6.8158 -6.8158 -2.7214 -2.7214 -1.5053 -1.5053 -1.4404 -1.4404 -1.2024 -1.2024 -0.7798 -0.7798 -0.6881 -0.6881 -0.4389 -0.4389 -0.3361 -0.3361 -0.0903 -0.0903 0.2227 0.2227 0.4504 0.4504 0.4808 0.4808 6.5097 6.5097 k = 0.4545 0.4606-0.0000 ( 4786 PWs) bands (ev): -13.4870 -13.4870 -13.2996 -13.2996 -12.4745 -12.4745 -11.8078 -11.8078 -7.6974 -7.6974 -7.6054 -7.6054 -7.0569 -7.0569 -7.0118 -7.0118 -6.8162 -6.8162 -2.7177 -2.7177 -1.5031 -1.5031 -1.4381 -1.4381 -1.1877 -1.1877 -0.7636 -0.7636 -0.6828 -0.6828 -0.4580 -0.4580 -0.3431 -0.3431 -0.1113 -0.1113 0.2191 0.2191 0.4489 0.4489 0.4800 0.4800 6.5224 6.5224 k = 0.4674 0.4737-0.0000 ( 4790 PWs) bands (ev): -13.4863 -13.4863 -13.2995 -13.2995 -12.4752 -12.4752 -11.8083 -11.8083 -7.6975 -7.6975 -7.6055 -7.6055 -7.0569 -7.0569 -7.0121 -7.0121 -6.8165 -6.8165 -2.7151 -2.7151 -1.5015 -1.5015 -1.4364 -1.4364 -1.1761 -1.1761 -0.7514 -0.7514 -0.6766 -0.6766 -0.4746 -0.4746 -0.3482 -0.3482 -0.1279 -0.1279 0.2163 0.2163 0.4478 0.4478 0.4794 0.4794 6.5318 6.5318 k = 0.4804 0.4869-0.0000 ( 4788 PWs) bands (ev): -13.4858 -13.4858 -13.2994 -13.2994 -12.4757 -12.4757 -11.8086 -11.8086 -7.6975 -7.6975 -7.6056 -7.6056 -7.0568 -7.0568 -7.0123 -7.0123 -6.8167 -6.8167 -2.7133 -2.7133 -1.5005 -1.5005 -1.4353 -1.4353 -1.1679 -1.1679 -0.7434 -0.7434 -0.6706 -0.6706 -0.4872 -0.4872 -0.3515 -0.3515 -0.1394 -0.1394 0.2144 0.2144 0.4470 0.4470 0.4790 0.4790 6.5380 6.5380 k = 0.4934 0.5000-0.0000 ( 4784 PWs) bands (ev): -13.4855 -13.4855 -13.2994 -13.2994 -12.4759 -12.4759 -11.8087 -11.8087 -7.6976 -7.6976 -7.6055 -7.6055 -7.0568 -7.0568 -7.0124 -7.0124 -6.8168 -6.8168 -2.7124 -2.7124 -1.4999 -1.4999 -1.4347 -1.4347 -1.1637 -1.1637 -0.7396 -0.7396 -0.6668 -0.6668 -0.4942 -0.4942 -0.3531 -0.3531 -0.1453 -0.1453 0.2135 0.2135 0.4467 0.4467 0.4788 0.4788 6.5411 6.5411 k = 0.4934 0.5000-0.0000 ( 4784 PWs) bands (ev): -13.4855 -13.4855 -13.2994 -13.2994 -12.4759 -12.4759 -11.8087 -11.8087 -7.6976 -7.6976 -7.6055 -7.6055 -7.0568 -7.0568 -7.0124 -7.0124 -6.8168 -6.8168 -2.7124 -2.7124 -1.4999 -1.4999 -1.4347 -1.4347 -1.1637 -1.1637 -0.7396 -0.7396 -0.6668 -0.6668 -0.4942 -0.4942 -0.3531 -0.3531 -0.1453 -0.1453 0.2135 0.2135 0.4467 0.4467 0.4788 0.4788 6.5411 6.5411 k = 0.4751 0.5000-0.0000 ( 4788 PWs) bands (ev): -13.4858 -13.4858 -13.2994 -13.2994 -12.4757 -12.4757 -11.8086 -11.8086 -7.6976 -7.6976 -7.6055 -7.6055 -7.0568 -7.0568 -7.0123 -7.0123 -6.8167 -6.8167 -2.7133 -2.7133 -1.5002 -1.5002 -1.4351 -1.4351 -1.1665 -1.1665 -0.7429 -0.7429 -0.6701 -0.6701 -0.4913 -0.4913 -0.3501 -0.3501 -0.1397 -0.1397 0.2142 0.2142 0.4470 0.4470 0.4790 0.4790 6.5386 6.5386 k = 0.4569 0.5000-0.0000 ( 4787 PWs) bands (ev): -13.4863 -13.4863 -13.2993 -13.2993 -12.4753 -12.4753 -11.8084 -11.8084 -7.6975 -7.6975 -7.6055 -7.6055 -7.0568 -7.0568 -7.0121 -7.0121 -6.8164 -6.8164 -2.7154 -2.7154 -1.5008 -1.5008 -1.4358 -1.4358 -1.1716 -1.1716 -0.7507 -0.7507 -0.6756 -0.6756 -0.4885 -0.4885 -0.3423 -0.3423 -0.1275 -0.1275 0.2156 0.2156 0.4478 0.4478 0.4795 0.4795 6.5333 6.5333 k = 0.4386 0.5000-0.0000 ( 4783 PWs) bands (ev): -13.4872 -13.4872 -13.2991 -13.2991 -12.4747 -12.4747 -11.8080 -11.8080 -7.6974 -7.6974 -7.6054 -7.6054 -7.0568 -7.0568 -7.0118 -7.0118 -6.8160 -6.8160 -2.7186 -2.7186 -1.5016 -1.5016 -1.4370 -1.4370 -1.1790 -1.1790 -0.7632 -0.7632 -0.6814 -0.6814 -0.4865 -0.4865 -0.3298 -0.3298 -0.1093 -0.1093 0.2178 0.2178 0.4490 0.4490 0.4802 0.4802 6.5253 6.5253 k = 0.4203 0.5000-0.0000 ( 4783 PWs) bands (ev): -13.4883 -13.4883 -13.2989 -13.2989 -12.4739 -12.4739 -11.8074 -11.8074 -7.6973 -7.6973 -7.6052 -7.6052 -7.0568 -7.0568 -7.0114 -7.0114 -6.8155 -6.8155 -2.7230 -2.7230 -1.5027 -1.5027 -1.4384 -1.4384 -1.1884 -1.1884 -0.7798 -0.7798 -0.6861 -0.6861 -0.4858 -0.4858 -0.3134 -0.3134 -0.0862 -0.0862 0.2206 0.2206 0.4506 0.4506 0.4811 0.4811 6.5148 6.5148 k = 0.4020 0.5000-0.0000 ( 4790 PWs) bands (ev): -13.4898 -13.4898 -13.2987 -13.2987 -12.4730 -12.4730 -11.8068 -11.8068 -7.6972 -7.6972 -7.6051 -7.6051 -7.0569 -7.0569 -7.0110 -7.0110 -6.8148 -6.8148 -2.7283 -2.7283 -1.5043 -1.5043 -1.4403 -1.4403 -1.1997 -1.1997 -0.7995 -0.7995 -0.6897 -0.6897 -0.4863 -0.4863 -0.2938 -0.2938 -0.0594 -0.0594 0.2240 0.2240 0.4528 0.4528 0.4824 0.4824 6.5018 6.5018 k = 0.3838 0.5000-0.0000 ( 4786 PWs) bands (ev): -13.4914 -13.4914 -13.2984 -13.2984 -12.4719 -12.4719 -11.8060 -11.8060 -7.6971 -7.6971 -7.6049 -7.6049 -7.0569 -7.0569 -7.0104 -7.0104 -6.8139 -6.8139 -2.7345 -2.7345 -1.5063 -1.5063 -1.4427 -1.4427 -1.2124 -1.2124 -0.8210 -0.8210 -0.6922 -0.6922 -0.4876 -0.4876 -0.2717 -0.2717 -0.0298 -0.0298 0.2281 0.2281 0.4555 0.4555 0.4839 0.4839 6.4866 6.4866 k = 0.3655 0.5000-0.0000 ( 4782 PWs) bands (ev): -13.4933 -13.4933 -13.2980 -13.2980 -12.4706 -12.4706 -11.8052 -11.8052 -7.6969 -7.6969 -7.6047 -7.6047 -7.0569 -7.0569 -7.0098 -7.0098 -6.8129 -6.8129 -2.7416 -2.7416 -1.5090 -1.5090 -1.4456 -1.4456 -1.2261 -1.2261 -0.8433 -0.8433 -0.6941 -0.6941 -0.4893 -0.4893 -0.2478 -0.2478 0.0015 0.0015 0.2326 0.2326 0.4588 0.4588 0.4859 0.4859 6.4695 6.4695 k = 0.3472 0.5000-0.0000 ( 4777 PWs) bands (ev): -13.4954 -13.4954 -13.2976 -13.2976 -12.4693 -12.4693 -11.8042 -11.8042 -7.6968 -7.6968 -7.6044 -7.6044 -7.0569 -7.0569 -7.0091 -7.0091 -6.8118 -6.8118 -2.7494 -2.7494 -1.5123 -1.5123 -1.4491 -1.4491 -1.2402 -1.2402 -0.8655 -0.8655 -0.6956 -0.6956 -0.4910 -0.4910 -0.2226 -0.2226 0.0335 0.0335 0.2375 0.2375 0.4626 0.4626 0.4883 0.4883 6.4507 6.4507 k = 0.3289 0.5000-0.0000 ( 4769 PWs) bands (ev): -13.4977 -13.4977 -13.2972 -13.2972 -12.4678 -12.4678 -11.8031 -11.8031 -7.6966 -7.6966 -7.6041 -7.6041 -7.0569 -7.0569 -7.0084 -7.0084 -6.8105 -6.8105 -2.7577 -2.7577 -1.5164 -1.5164 -1.4533 -1.4533 -1.2540 -1.2540 -0.8874 -0.8874 -0.6968 -0.6968 -0.4927 -0.4927 -0.1965 -0.1965 0.0655 0.0655 0.2428 0.2428 0.4670 0.4670 0.4913 0.4913 6.4305 6.4305 k = 0.3107 0.5000-0.0000 ( 4771 PWs) bands (ev): -13.5001 -13.5001 -13.2967 -13.2967 -12.4662 -12.4662 -11.8020 -11.8020 -7.6964 -7.6964 -7.6039 -7.6039 -7.0570 -7.0570 -7.0076 -7.0076 -6.8092 -6.8092 -2.7666 -2.7666 -1.5216 -1.5216 -1.4585 -1.4585 -1.2670 -1.2670 -0.9086 -0.9086 -0.6977 -0.6977 -0.4942 -0.4942 -0.1697 -0.1697 0.0966 0.0966 0.2484 0.2484 0.4718 0.4718 0.4953 0.4953 6.4092 6.4092 k = 0.2924 0.5000-0.0000 ( 4770 PWs) bands (ev): -13.5026 -13.5026 -13.2963 -13.2963 -12.4647 -12.4647 -11.8008 -11.8008 -7.6962 -7.6962 -7.6036 -7.6036 -7.0570 -7.0570 -7.0068 -7.0068 -6.8078 -6.8078 -2.7757 -2.7757 -1.5279 -1.5279 -1.4645 -1.4645 -1.2785 -1.2785 -0.9290 -0.9290 -0.6986 -0.6986 -0.4953 -0.4953 -0.1424 -0.1424 0.1261 0.1261 0.2542 0.2542 0.4767 0.4767 0.5008 0.5008 6.3870 6.3870 k = 0.2741 0.5000-0.0000 ( 4768 PWs) bands (ev): -13.5051 -13.5051 -13.2958 -13.2958 -12.4630 -12.4630 -11.7995 -11.7995 -7.6961 -7.6961 -7.6033 -7.6033 -7.0571 -7.0571 -7.0060 -7.0060 -6.8063 -6.8063 -2.7850 -2.7850 -1.5356 -1.5356 -1.4712 -1.4712 -1.2879 -1.2879 -0.9486 -0.9486 -0.6993 -0.6993 -0.4962 -0.4962 -0.1149 -0.1149 0.1534 0.1534 0.2601 0.2601 0.4812 0.4812 0.5082 0.5082 6.3643 6.3643 k = 0.2558 0.5000-0.0000 ( 4762 PWs) bands (ev): -13.5077 -13.5077 -13.2953 -13.2953 -12.4614 -12.4614 -11.7983 -11.7983 -7.6959 -7.6959 -7.6030 -7.6030 -7.0571 -7.0571 -7.0052 -7.0052 -6.8047 -6.8047 -2.7944 -2.7944 -1.5449 -1.5449 -1.4784 -1.4784 -1.2951 -1.2951 -0.9673 -0.9673 -0.7000 -0.7000 -0.4969 -0.4969 -0.0874 -0.0874 0.1779 0.1779 0.2661 0.2661 0.4853 0.4853 0.5180 0.5180 6.3414 6.3414 k = 0.2376 0.5000-0.0000 ( 4756 PWs) bands (ev): -13.5102 -13.5102 -13.2949 -13.2949 -12.4598 -12.4598 -11.7970 -11.7970 -7.6957 -7.6957 -7.6026 -7.6026 -7.0571 -7.0571 -7.0044 -7.0044 -6.8031 -6.8031 -2.8038 -2.8038 -1.5558 -1.5558 -1.4856 -1.4856 -1.2999 -1.2999 -0.9852 -0.9852 -0.7007 -0.7007 -0.4972 -0.4972 -0.0601 -0.0601 0.1992 0.1992 0.2720 0.2720 0.4887 0.4887 0.5300 0.5300 6.3186 6.3186 k = 0.2193 0.5000-0.0000 ( 4762 PWs) bands (ev): -13.5127 -13.5127 -13.2944 -13.2944 -12.4582 -12.4582 -11.7957 -11.7957 -7.6956 -7.6956 -7.6023 -7.6023 -7.0572 -7.0572 -7.0037 -7.0037 -6.8015 -6.8015 -2.8129 -2.8129 -1.5682 -1.5682 -1.4925 -1.4925 -1.3026 -1.3026 -1.0023 -1.0023 -0.7012 -0.7012 -0.4974 -0.4974 -0.0331 -0.0331 0.2170 0.2170 0.2778 0.2778 0.4918 0.4918 0.5439 0.5439 6.2961 6.2961 k = 0.2010 0.5000-0.0000 ( 4756 PWs) bands (ev): -13.5152 -13.5152 -13.2939 -13.2939 -12.4567 -12.4567 -11.7944 -11.7944 -7.6954 -7.6954 -7.6020 -7.6020 -7.0573 -7.0573 -7.0029 -7.0029 -6.7998 -6.7998 -2.8218 -2.8218 -1.5818 -1.5818 -1.4990 -1.4990 -1.3033 -1.3033 -1.0186 -1.0186 -0.7018 -0.7018 -0.4974 -0.4974 -0.0066 -0.0066 0.2313 0.2313 0.2834 0.2834 0.4946 0.4946 0.5594 0.5594 6.2743 6.2743 k = 0.1827 0.5000-0.0000 ( 4767 PWs) bands (ev): -13.5175 -13.5175 -13.2935 -13.2935 -12.4553 -12.4553 -11.7931 -11.7931 -7.6953 -7.6953 -7.6018 -7.6018 -7.0574 -7.0574 -7.0023 -7.0023 -6.7983 -6.7983 -2.8303 -2.8303 -1.5960 -1.5960 -1.5048 -1.5048 -1.3023 -1.3023 -1.0341 -1.0341 -0.7023 -0.7023 -0.4972 -0.4972 0.0191 0.0191 0.2423 0.2423 0.2888 0.2888 0.4972 0.4972 0.5759 0.5759 6.2534 6.2534 k = 0.1645 0.5000-0.0000 ( 4757 PWs) bands (ev): -13.5197 -13.5197 -13.2931 -13.2931 -12.4539 -12.4539 -11.7919 -11.7919 -7.6952 -7.6952 -7.6014 -7.6014 -7.0574 -7.0574 -7.0016 -7.0016 -6.7967 -6.7967 -2.8382 -2.8382 -1.6103 -1.6103 -1.5099 -1.5099 -1.3001 -1.3001 -1.0488 -1.0488 -0.7027 -0.7027 -0.4969 -0.4969 0.0441 0.0441 0.2502 0.2502 0.2938 0.2938 0.4996 0.4996 0.5928 0.5928 6.2337 6.2337 k = 0.1462 0.5000-0.0000 ( 4756 PWs) bands (ev): -13.5218 -13.5218 -13.2928 -13.2928 -12.4527 -12.4527 -11.7908 -11.7908 -7.6950 -7.6950 -7.6012 -7.6012 -7.0575 -7.0575 -7.0010 -7.0010 -6.7952 -6.7952 -2.8456 -2.8456 -1.6243 -1.6243 -1.5145 -1.5145 -1.2969 -1.2969 -1.0626 -1.0626 -0.7031 -0.7031 -0.4966 -0.4966 0.0681 0.0681 0.2553 0.2553 0.2984 0.2984 0.5019 0.5019 0.6095 0.6095 6.2153 6.2153 k = 0.1279 0.5000-0.0000 ( 4757 PWs) bands (ev): -13.5237 -13.5237 -13.2924 -13.2924 -12.4515 -12.4515 -11.7898 -11.7898 -7.6950 -7.6950 -7.6010 -7.6010 -7.0576 -7.0576 -7.0005 -7.0005 -6.7939 -6.7939 -2.8523 -2.8523 -1.6374 -1.6374 -1.5186 -1.5186 -1.2929 -1.2929 -1.0756 -1.0756 -0.7035 -0.7035 -0.4962 -0.4962 0.0909 0.0909 0.2578 0.2578 0.3026 0.3026 0.5039 0.5039 0.6256 0.6256 6.1986 6.1986 k = 0.1096 0.5000-0.0000 ( 4760 PWs) bands (ev): -13.5253 -13.5253 -13.2921 -13.2921 -12.4505 -12.4505 -11.7888 -11.7888 -7.6949 -7.6949 -7.6008 -7.6008 -7.0577 -7.0577 -7.0000 -7.0000 -6.7927 -6.7927 -2.8582 -2.8582 -1.6495 -1.6495 -1.5220 -1.5220 -1.2885 -1.2885 -1.0875 -1.0875 -0.7038 -0.7038 -0.4958 -0.4958 0.1125 0.1125 0.2580 0.2580 0.3062 0.3062 0.5057 0.5057 0.6405 0.6405 6.1837 6.1837 k = 0.0914 0.5000-0.0000 ( 4760 PWs) bands (ev): -13.5268 -13.5268 -13.2919 -13.2919 -12.4497 -12.4497 -11.7880 -11.7880 -7.6948 -7.6948 -7.6006 -7.6006 -7.0577 -7.0577 -6.9996 -6.9996 -6.7916 -6.7916 -2.8633 -2.8633 -1.6601 -1.6601 -1.5250 -1.5250 -1.2839 -1.2839 -1.0983 -1.0983 -0.7041 -0.7041 -0.4954 -0.4954 0.1327 0.1327 0.2561 0.2561 0.3093 0.3093 0.5073 0.5073 0.6537 0.6537 6.1708 6.1708 k = 0.0731 0.5000-0.0000 ( 4750 PWs) bands (ev): -13.5280 -13.5280 -13.2917 -13.2917 -12.4489 -12.4489 -11.7874 -11.7874 -7.6947 -7.6947 -7.6004 -7.6004 -7.0577 -7.0577 -6.9993 -6.9993 -6.7906 -6.7906 -2.8676 -2.8676 -1.6691 -1.6691 -1.5274 -1.5274 -1.2794 -1.2794 -1.1077 -1.1077 -0.7043 -0.7043 -0.4951 -0.4951 0.1514 0.1514 0.2525 0.2525 0.3119 0.3119 0.5087 0.5087 0.6650 0.6650 6.1600 6.1600 k = 0.0548 0.5000-0.0000 ( 4743 PWs) bands (ev): -13.5289 -13.5289 -13.2915 -13.2915 -12.4484 -12.4484 -11.7868 -11.7868 -7.6946 -7.6946 -7.6002 -7.6002 -7.0577 -7.0577 -6.9990 -6.9990 -6.7899 -6.7899 -2.8710 -2.8710 -1.6762 -1.6762 -1.5293 -1.5293 -1.2753 -1.2753 -1.1155 -1.1155 -0.7045 -0.7045 -0.4948 -0.4948 0.1683 0.1683 0.2471 0.2471 0.3139 0.3139 0.5098 0.5098 0.6741 0.6741 6.1515 6.1515 k = 0.0365 0.5000-0.0000 ( 4740 PWs) bands (ev): -13.5296 -13.5296 -13.2914 -13.2914 -12.4480 -12.4480 -11.7864 -11.7864 -7.6946 -7.6946 -7.6001 -7.6001 -7.0577 -7.0577 -6.9988 -6.9988 -6.7894 -6.7894 -2.8734 -2.8734 -1.6814 -1.6814 -1.5306 -1.5306 -1.2721 -1.2721 -1.1214 -1.1214 -0.7046 -0.7046 -0.4946 -0.4946 0.1831 0.1831 0.2406 0.2406 0.3153 0.3153 0.5105 0.5105 0.6807 0.6807 6.1453 6.1453 k = 0.0183 0.5000-0.0000 ( 4743 PWs) bands (ev): -13.5300 -13.5300 -13.2913 -13.2913 -12.4477 -12.4477 -11.7862 -11.7862 -7.6946 -7.6946 -7.6001 -7.6001 -7.0578 -7.0578 -6.9987 -6.9987 -6.7890 -6.7890 -2.8749 -2.8749 -1.6845 -1.6845 -1.5314 -1.5314 -1.2700 -1.2700 -1.1250 -1.1250 -0.7046 -0.7046 -0.4945 -0.4945 0.1947 0.1947 0.2340 0.2340 0.3162 0.3162 0.5110 0.5110 0.6847 0.6847 6.1416 6.1416 k = 0.0000 0.5000-0.0000 ( 4742 PWs) bands (ev): -13.5302 -13.5302 -13.2913 -13.2913 -12.4476 -12.4476 -11.7861 -11.7861 -7.6946 -7.6946 -7.6001 -7.6001 -7.0578 -7.0578 -6.9986 -6.9986 -6.7889 -6.7889 -2.8754 -2.8754 -1.6856 -1.6856 -1.5317 -1.5317 -1.2693 -1.2693 -1.1263 -1.1263 -0.7047 -0.7047 -0.4944 -0.4944 0.1998 0.1998 0.2306 0.2306 0.3165 0.3165 0.5112 0.5112 0.6861 0.6861 6.1404 6.1404 k = 0.0000 0.5000-0.0000 ( 4742 PWs) bands (ev): -13.5302 -13.5302 -13.2913 -13.2913 -12.4476 -12.4476 -11.7861 -11.7861 -7.6946 -7.6946 -7.6001 -7.6001 -7.0578 -7.0578 -6.9986 -6.9986 -6.7889 -6.7889 -2.8754 -2.8754 -1.6856 -1.6856 -1.5317 -1.5317 -1.2693 -1.2693 -1.1263 -1.1263 -0.7047 -0.7047 -0.4944 -0.4944 0.1998 0.1998 0.2306 0.2306 0.3165 0.3165 0.5112 0.5112 0.6861 0.6861 6.1403 6.1404 k = 0.0000 0.5000 0.0184 ( 4744 PWs) bands (ev): -13.5298 -13.5298 -13.2913 -13.2913 -12.4476 -12.4476 -11.7860 -11.7860 -7.6943 -7.6943 -7.6001 -7.6001 -7.0577 -7.0577 -6.9984 -6.9984 -6.7891 -6.7891 -2.8755 -2.8755 -1.6851 -1.6851 -1.5339 -1.5339 -1.2697 -1.2697 -1.1262 -1.1262 -0.7112 -0.7112 -0.4897 -0.4897 0.2012 0.2012 0.2305 0.2305 0.3160 0.3160 0.5108 0.5108 0.6856 0.6856 6.1421 6.1421 k = 0.0000 0.5000 0.0368 ( 4744 PWs) bands (ev): -13.5288 -13.5288 -13.2912 -13.2912 -12.4476 -12.4476 -11.7858 -11.7858 -7.6936 -7.6936 -7.6003 -7.6003 -7.0572 -7.0572 -6.9978 -6.9978 -6.7897 -6.7897 -2.8759 -2.8759 -1.6839 -1.6839 -1.5406 -1.5406 -1.2709 -1.2709 -1.1261 -1.1261 -0.7292 -0.7292 -0.4771 -0.4771 0.2055 0.2055 0.2302 0.2302 0.3148 0.3148 0.5097 0.5097 0.6839 0.6839 6.1473 6.1473 k = 0.0000 0.5000 0.0551 ( 4752 PWs) bands (ev): -13.5272 -13.5272 -13.2911 -13.2911 -12.4476 -12.4476 -11.7854 -11.7854 -7.6925 -7.6925 -7.6005 -7.6005 -7.0566 -7.0566 -6.9967 -6.9967 -6.7906 -6.7906 -2.8766 -2.8766 -1.6819 -1.6819 -1.5514 -1.5514 -1.2730 -1.2730 -1.1258 -1.1258 -0.7554 -0.7554 -0.4598 -0.4598 0.2123 0.2123 0.2296 0.2296 0.3128 0.3128 0.5079 0.5079 0.6812 0.6812 6.1558 6.1558 k = 0.0000 0.5000 0.0735 ( 4756 PWs) bands (ev): -13.5249 -13.5249 -13.2910 -13.2910 -12.4476 -12.4476 -11.7849 -11.7849 -7.6909 -7.6909 -7.6008 -7.6008 -7.0557 -7.0557 -6.9951 -6.9951 -6.7918 -6.7918 -2.8775 -2.8775 -1.6797 -1.6797 -1.5658 -1.5658 -1.2762 -1.2762 -1.1254 -1.1254 -0.7869 -0.7869 -0.4403 -0.4403 0.2214 0.2214 0.2289 0.2289 0.3101 0.3101 0.5055 0.5055 0.6774 0.6774 6.1677 6.1677 k = 0.0000 0.5000 0.0919 ( 4760 PWs) bands (ev): -13.5220 -13.5220 -13.2908 -13.2908 -12.4476 -12.4476 -11.7842 -11.7842 -7.6889 -7.6889 -7.6013 -7.6013 -7.0546 -7.0546 -6.9931 -6.9931 -6.7934 -6.7934 -2.8788 -2.8788 -1.6777 -1.6777 -1.5828 -1.5828 -1.2804 -1.2804 -1.1248 -1.1248 -0.8217 -0.8217 -0.4204 -0.4204 0.2274 0.2274 0.2329 0.2329 0.3070 0.3070 0.5024 0.5024 0.6726 0.6726 6.1826 6.1826 k = 0.0000 0.5000 0.1103 ( 4758 PWs) bands (ev): -13.5185 -13.5185 -13.2906 -13.2906 -12.4476 -12.4476 -11.7834 -11.7834 -7.6864 -7.6864 -7.6017 -7.6017 -7.0533 -7.0533 -6.9904 -6.9904 -6.7954 -6.7954 -2.8804 -2.8804 -1.6779 -1.6779 -1.6005 -1.6005 -1.2861 -1.2861 -1.1242 -1.1242 -0.8583 -0.8583 -0.4010 -0.4010 0.2264 0.2264 0.2448 0.2448 0.3040 0.3040 0.4988 0.4988 0.6667 0.6667 6.2005 6.2005 k = 0.0000 0.5000 0.1287 ( 4758 PWs) bands (ev): -13.5143 -13.5143 -13.2904 -13.2904 -12.4476 -12.4476 -11.7824 -11.7824 -7.6835 -7.6835 -7.6023 -7.6023 -7.0519 -7.0519 -6.9872 -6.9872 -6.7976 -6.7976 -2.8824 -2.8824 -1.6836 -1.6836 -1.6151 -1.6151 -1.2935 -1.2935 -1.1236 -1.1236 -0.8954 -0.8954 -0.3827 -0.3827 0.2250 0.2250 0.2563 0.2563 0.3023 0.3023 0.4946 0.4946 0.6598 0.6598 6.2211 6.2211 k = 0.0000 0.5000 0.1470 ( 4762 PWs) bands (ev): -13.5096 -13.5096 -13.2901 -13.2901 -12.4476 -12.4476 -11.7814 -11.7814 -7.6802 -7.6802 -7.6030 -7.6030 -7.0504 -7.0504 -6.9835 -6.9835 -6.8002 -6.8002 -2.8849 -2.8849 -1.6988 -1.6988 -1.6224 -1.6224 -1.3029 -1.3029 -1.1228 -1.1228 -0.9321 -0.9321 -0.3658 -0.3658 0.2234 0.2234 0.2642 0.2642 0.3048 0.3048 0.4901 0.4901 0.6520 0.6520 6.2441 6.2441 k = 0.0000 0.5000 0.1654 ( 4772 PWs) bands (ev): -13.5043 -13.5043 -13.2898 -13.2898 -12.4477 -12.4477 -11.7801 -11.7801 -7.6766 -7.6766 -7.6038 -7.6038 -7.0488 -7.0488 -6.9792 -6.9792 -6.8031 -6.8031 -2.8878 -2.8878 -1.7229 -1.7229 -1.6229 -1.6229 -1.3148 -1.3148 -1.1220 -1.1220 -0.9670 -0.9670 -0.3505 -0.3505 0.2216 0.2216 0.2656 0.2656 0.3140 0.3140 0.4852 0.4852 0.6432 0.6432 6.2692 6.2692 k = 0.0000 0.5000 0.1838 ( 4770 PWs) bands (ev): -13.4985 -13.4985 -13.2895 -13.2895 -12.4477 -12.4477 -11.7788 -11.7788 -7.6726 -7.6726 -7.6047 -7.6047 -7.0471 -7.0471 -6.9743 -6.9743 -6.8063 -6.8063 -2.8913 -2.8913 -1.7524 -1.7524 -1.6203 -1.6203 -1.3293 -1.3293 -1.1211 -1.1211 -0.9992 -0.9992 -0.3369 -0.3369 0.2197 0.2197 0.2620 0.2620 0.3279 0.3279 0.4801 0.4801 0.6336 0.6336 6.2961 6.2961 k = 0.0000 0.5000 0.2022 ( 4774 PWs) bands (ev): -13.4922 -13.4922 -13.2891 -13.2891 -12.4478 -12.4478 -11.7774 -11.7774 -7.6684 -7.6684 -7.6056 -7.6056 -7.0454 -7.0454 -6.9687 -6.9687 -6.8097 -6.8097 -2.8955 -2.8955 -1.7847 -1.7847 -1.6176 -1.6176 -1.3463 -1.3463 -1.1203 -1.1203 -1.0275 -1.0275 -0.3251 -0.3251 0.2177 0.2177 0.2561 0.2561 0.3438 0.3438 0.4748 0.4748 0.6233 0.6233 6.3244 6.3244 k = 0.0000 0.5000 0.2206 ( 4768 PWs) bands (ev): -13.4854 -13.4854 -13.2888 -13.2888 -12.4478 -12.4478 -11.7758 -11.7758 -7.6638 -7.6638 -7.6066 -7.6066 -7.0437 -7.0437 -6.9626 -6.9626 -6.8134 -6.8134 -2.9003 -2.9003 -1.8186 -1.8186 -1.6169 -1.6169 -1.3645 -1.3645 -1.1194 -1.1194 -1.0515 -1.0515 -0.3151 -0.3151 0.2156 0.2156 0.2490 0.2490 0.3601 0.3601 0.4694 0.4694 0.6124 0.6124 6.3538 6.3538 k = 0.0000 0.5000 0.2390 ( 4770 PWs) bands (ev): -13.4781 -13.4781 -13.2884 -13.2884 -12.4479 -12.4479 -11.7742 -11.7742 -7.6590 -7.6590 -7.6077 -7.6077 -7.0419 -7.0419 -6.9559 -6.9559 -6.8173 -6.8173 -2.9059 -2.9059 -1.8533 -1.8533 -1.6208 -1.6208 -1.3818 -1.3818 -1.1188 -1.1188 -1.0706 -1.0706 -0.3069 -0.3069 0.2133 0.2133 0.2414 0.2414 0.3759 0.3759 0.4642 0.4642 0.6012 0.6012 6.3837 6.3837 k = 0.0000 0.5000 0.2573 ( 4770 PWs) bands (ev): -13.4705 -13.4705 -13.2880 -13.2880 -12.4481 -12.4481 -11.7725 -11.7725 -7.6540 -7.6540 -7.6089 -7.6089 -7.0401 -7.0401 -6.9487 -6.9487 -6.8215 -6.8215 -2.9122 -2.9122 -1.8880 -1.8880 -1.6320 -1.6320 -1.3953 -1.3953 -1.1186 -1.1186 -1.0850 -1.0850 -0.3006 -0.3006 0.2107 0.2107 0.2337 0.2337 0.3904 0.3904 0.4591 0.4591 0.5899 0.5899 6.4138 6.4138 k = 0.0000 0.5000 0.2757 ( 4770 PWs) bands (ev): -13.4625 -13.4625 -13.2875 -13.2875 -12.4482 -12.4482 -11.7707 -11.7707 -7.6489 -7.6489 -7.6101 -7.6101 -7.0383 -7.0383 -6.9409 -6.9409 -6.8259 -6.8259 -2.9195 -2.9195 -1.9224 -1.9224 -1.6524 -1.6524 -1.4026 -1.4026 -1.1194 -1.1194 -1.0946 -1.0946 -0.2962 -0.2962 0.2074 0.2074 0.2265 0.2265 0.4028 0.4028 0.4545 0.4545 0.5792 0.5792 6.4438 6.4438 k = 0.0000 0.5000 0.2941 ( 4774 PWs) bands (ev): -13.4542 -13.4542 -13.2871 -13.2871 -12.4484 -12.4484 -11.7688 -11.7688 -7.6437 -7.6437 -7.6113 -7.6113 -7.0364 -7.0364 -6.9329 -6.9329 -6.8304 -6.8304 -2.9277 -2.9277 -1.9561 -1.9561 -1.6819 -1.6819 -1.4027 -1.4027 -1.1217 -1.1217 -1.0996 -1.0996 -0.2937 -0.2937 0.2030 0.2030 0.2205 0.2205 0.4120 0.4120 0.4504 0.4504 0.5697 0.5697 6.4731 6.4731 k = 0.0000 0.5000 0.3125 ( 4776 PWs) bands (ev): -13.4456 -13.4456 -13.2867 -13.2867 -12.4487 -12.4487 -11.7669 -11.7669 -7.6386 -7.6386 -7.6124 -7.6124 -7.0345 -7.0345 -6.9243 -6.9243 -6.8351 -6.8351 -2.9368 -2.9368 -1.9887 -1.9887 -1.7190 -1.7190 -1.3967 -1.3967 -1.1249 -1.1249 -1.1011 -1.1011 -0.2929 -0.2929 0.1970 0.1970 0.2163 0.2163 0.4169 0.4169 0.4471 0.4471 0.5624 0.5624 6.5015 6.5015 k = 0.0000 0.5000 0.3309 ( 4770 PWs) bands (ev): -13.4368 -13.4368 -13.2862 -13.2862 -12.4489 -12.4489 -11.7649 -11.7649 -7.6336 -7.6336 -7.6134 -7.6134 -7.0325 -7.0325 -6.9155 -6.9155 -6.8398 -6.8398 -2.9468 -2.9468 -2.0199 -2.0199 -1.7616 -1.7616 -1.3860 -1.3860 -1.1278 -1.1278 -1.1005 -1.1005 -0.2940 -0.2940 0.1898 0.1898 0.2135 0.2135 0.4173 0.4173 0.4437 0.4437 0.5584 0.5584 6.5285 6.5285 k = 0.0000 0.5000 0.3492 ( 4766 PWs) bands (ev): -13.4279 -13.4279 -13.2858 -13.2858 -12.4493 -12.4493 -11.7630 -11.7630 -7.6292 -7.6292 -7.6138 -7.6138 -7.0303 -7.0303 -6.9064 -6.9064 -6.8446 -6.8446 -2.9578 -2.9578 -2.0495 -2.0495 -1.8078 -1.8078 -1.3721 -1.3721 -1.1297 -1.1297 -1.0990 -1.0990 -0.2969 -0.2969 0.1820 0.1820 0.2117 0.2117 0.4138 0.4138 0.4391 0.4391 0.5581 0.5581 6.5539 6.5539 k = 0.0000 0.5000 0.3676 ( 4768 PWs) bands (ev): -13.4188 -13.4188 -13.2853 -13.2853 -12.4496 -12.4496 -11.7610 -11.7610 -7.6261 -7.6261 -7.6130 -7.6130 -7.0282 -7.0282 -6.8972 -6.8972 -6.8495 -6.8495 -2.9697 -2.9697 -2.0774 -2.0774 -1.8561 -1.8561 -1.3562 -1.3562 -1.1304 -1.1304 -1.0968 -1.0968 -0.3016 -0.3016 0.1740 0.1740 0.2106 0.2106 0.4070 0.4070 0.4334 0.4334 0.5612 0.5612 6.5774 6.5774 k = 0.0000 0.5000 0.3860 ( 4776 PWs) bands (ev): -13.4096 -13.4096 -13.2849 -13.2849 -12.4500 -12.4500 -11.7589 -11.7589 -7.6250 -7.6250 -7.6103 -7.6103 -7.0260 -7.0260 -6.8879 -6.8879 -6.8543 -6.8543 -2.9824 -2.9824 -2.1035 -2.1035 -1.9055 -1.9055 -1.3392 -1.3392 -1.1296 -1.1296 -1.0942 -1.0942 -0.3080 -0.3080 0.1661 0.1661 0.2099 0.2099 0.3967 0.3967 0.4276 0.4276 0.5666 0.5666 6.5987 6.5987 k = 0.0000 0.5000 0.4044 ( 4778 PWs) bands (ev): -13.4004 -13.4004 -13.2844 -13.2844 -12.4505 -12.4505 -11.7569 -11.7569 -7.6254 -7.6254 -7.6064 -7.6064 -7.0237 -7.0237 -6.8786 -6.8786 -6.8589 -6.8589 -2.9959 -2.9959 -2.1276 -2.1276 -1.9552 -1.9552 -1.3218 -1.3218 -1.1271 -1.1271 -1.0912 -1.0912 -0.3161 -0.3161 0.1584 0.1585 0.2096 0.2096 0.3832 0.3832 0.4226 0.4226 0.5735 0.5735 6.6178 6.6178 k = 0.0000 0.5000 0.4228 ( 4782 PWs) bands (ev): -13.3913 -13.3913 -13.2840 -13.2840 -12.4509 -12.4509 -11.7550 -11.7550 -7.6265 -7.6265 -7.6018 -7.6018 -7.0214 -7.0214 -6.8708 -6.8708 -6.8621 -6.8621 -3.0099 -3.0099 -2.1497 -2.1497 -2.0046 -2.0046 -1.3048 -1.3048 -1.1226 -1.1226 -1.0879 -1.0879 -0.3258 -0.3258 0.1511 0.1511 0.2096 0.2096 0.3673 0.3673 0.4186 0.4186 0.5810 0.5810 6.6346 6.6346 k = 0.0000 0.5000 0.4411 ( 4782 PWs) bands (ev): -13.3823 -13.3823 -13.2835 -13.2835 -12.4514 -12.4514 -11.7530 -11.7530 -7.6279 -7.6279 -7.5971 -7.5971 -7.0190 -7.0190 -6.8706 -6.8706 -6.8574 -6.8574 -3.0245 -3.0245 -2.1699 -2.1699 -2.0531 -2.0531 -1.2890 -1.2890 -1.1156 -1.1156 -1.0843 -1.0843 -0.3371 -0.3371 0.1441 0.1441 0.2098 0.2098 0.3498 0.3498 0.4152 0.4152 0.5886 0.5886 6.6491 6.6491 k = 0.0000 0.5000 0.4595 ( 4784 PWs) bands (ev): -13.3735 -13.3735 -13.2831 -13.2831 -12.4520 -12.4520 -11.7511 -11.7511 -7.6295 -7.6295 -7.5924 -7.5924 -7.0166 -7.0166 -6.8746 -6.8746 -6.8487 -6.8487 -3.0393 -3.0393 -2.1883 -2.1883 -2.1004 -2.1004 -1.2749 -1.2749 -1.1058 -1.1058 -1.0805 -1.0805 -0.3499 -0.3499 0.1376 0.1376 0.2102 0.2102 0.3314 0.3314 0.4125 0.4125 0.5960 0.5960 6.6613 6.6613 k = 0.0000 0.5000 0.4779 ( 4784 PWs) bands (ev): -13.3648 -13.3648 -13.2827 -13.2827 -12.4525 -12.4525 -11.7493 -11.7493 -7.6311 -7.6311 -7.5879 -7.5879 -7.0142 -7.0142 -6.8788 -6.8788 -6.8397 -6.8397 -3.0543 -3.0543 -2.2048 -2.2048 -2.1460 -2.1460 -1.2632 -1.2632 -1.0928 -1.0928 -1.0764 -1.0764 -0.3641 -0.3641 0.1316 0.1316 0.2108 0.2108 0.3124 0.3124 0.4103 0.4103 0.6031 0.6031 6.6713 6.6713 k = 0.0000 0.5000 0.4963 ( 4784 PWs) bands (ev): -13.3565 -13.3565 -13.2823 -13.2823 -12.4531 -12.4531 -11.7475 -11.7475 -7.6328 -7.6328 -7.5835 -7.5835 -7.0119 -7.0119 -6.8830 -6.8830 -6.8308 -6.8308 -3.0692 -3.0692 -2.2199 -2.2199 -2.1894 -2.1894 -1.2539 -1.2539 -1.0773 -1.0773 -1.0714 -1.0714 -0.3797 -0.3797 0.1260 0.1260 0.2115 0.2115 0.2932 0.2932 0.4086 0.4086 0.6097 0.6097 6.6794 6.6794 k = 0.0000 0.5000 0.5147 ( 4778 PWs) bands (ev): -13.3484 -13.3484 -13.2820 -13.2820 -12.4537 -12.4537 -11.7458 -11.7458 -7.6344 -7.6344 -7.5794 -7.5794 -7.0095 -7.0095 -6.8869 -6.8869 -6.8222 -6.8222 -3.0839 -3.0839 -2.2367 -2.2367 -2.2273 -2.2273 -1.2469 -1.2469 -1.0687 -1.0687 -1.0565 -1.0565 -0.3966 -0.3966 0.1210 0.1210 0.2124 0.2124 0.2742 0.2742 0.4072 0.4072 0.6158 0.6158 6.6855 6.6855 k = 0.0000 0.5000 0.5331 ( 4776 PWs) bands (ev): -13.3408 -13.3408 -13.2816 -13.2816 -12.4543 -12.4543 -11.7442 -11.7442 -7.6360 -7.6360 -7.5756 -7.5756 -7.0073 -7.0073 -6.8906 -6.8906 -6.8139 -6.8139 -3.0981 -3.0981 -2.2718 -2.2718 -2.2430 -2.2430 -1.2419 -1.2419 -1.0641 -1.0641 -1.0352 -1.0352 -0.4146 -0.4146 0.1165 0.1165 0.2132 0.2132 0.2556 0.2556 0.4061 0.4061 0.6212 0.6212 6.6901 6.6901 k = 0.0000 0.5000 0.5514 ( 4784 PWs) bands (ev): -13.3336 -13.3336 -13.2813 -13.2813 -12.4548 -12.4548 -11.7427 -11.7427 -7.6375 -7.6375 -7.5721 -7.5721 -7.0052 -7.0052 -6.8941 -6.8941 -6.8062 -6.8062 -3.1118 -3.1118 -2.3079 -2.3079 -2.2536 -2.2536 -1.2385 -1.2385 -1.0596 -1.0596 -1.0118 -1.0118 -0.4337 -0.4337 0.1126 0.1126 0.2139 0.2139 0.2378 0.2378 0.4053 0.4053 0.6262 0.6262 6.6932 6.6932 k = 0.0000 0.5000 0.5698 ( 4786 PWs) bands (ev): -13.3269 -13.3269 -13.2810 -13.2810 -12.4554 -12.4554 -11.7413 -11.7413 -7.6390 -7.6390 -7.5688 -7.5688 -7.0033 -7.0033 -6.8972 -6.8972 -6.7989 -6.7989 -3.1246 -3.1246 -2.3415 -2.3415 -2.2625 -2.2625 -1.2362 -1.2362 -1.0553 -1.0553 -0.9871 -0.9871 -0.4537 -0.4537 0.1092 0.1092 0.2131 0.2131 0.2223 0.2223 0.4047 0.4047 0.6305 0.6305 6.6952 6.6952 k = 0.0000 0.5000 0.5882 ( 4792 PWs) bands (ev): -13.3208 -13.3208 -13.2808 -13.2808 -12.4559 -12.4559 -11.7400 -11.7400 -7.6403 -7.6403 -7.5659 -7.5659 -7.0015 -7.0015 -6.9001 -6.9001 -6.7923 -6.7923 -3.1365 -3.1365 -2.3721 -2.3721 -2.2703 -2.2703 -1.2348 -1.2348 -1.0511 -1.0511 -0.9615 -0.9615 -0.4745 -0.4745 0.1064 0.1064 0.2022 0.2022 0.2177 0.2177 0.4044 0.4044 0.6343 0.6343 6.6963 6.6963 k = 0.0000 0.5000 0.6066 ( 4804 PWs) bands (ev): -13.3153 -13.3153 -13.2805 -13.2805 -12.4565 -12.4565 -11.7389 -11.7389 -7.6416 -7.6416 -7.5634 -7.5634 -6.9999 -6.9999 -6.9026 -6.9026 -6.7863 -6.7863 -3.1473 -3.1473 -2.3995 -2.3995 -2.2768 -2.2768 -1.2340 -1.2340 -1.0472 -1.0472 -0.9354 -0.9354 -0.4959 -0.4959 0.1041 0.1041 0.1876 0.1876 0.2181 0.2181 0.4041 0.4041 0.6376 0.6376 6.6967 6.6967 k = 0.0000 0.5000 0.6250 ( 4806 PWs) bands (ev): -13.3104 -13.3104 -13.2803 -13.2803 -12.4569 -12.4569 -11.7379 -11.7379 -7.6427 -7.6427 -7.5612 -7.5612 -6.9985 -6.9985 -6.9047 -6.9047 -6.7810 -6.7810 -3.1570 -3.1570 -2.4235 -2.4235 -2.2824 -2.2824 -1.2336 -1.2336 -1.0435 -1.0435 -0.9095 -0.9095 -0.5175 -0.5175 0.1025 0.1025 0.1739 0.1739 0.2188 0.2188 0.4040 0.4040 0.6404 0.6404 6.6966 6.6966 k = 0.0000 0.5000 0.6433 ( 4798 PWs) bands (ev): -13.3062 -13.3062 -13.2802 -13.2802 -12.4573 -12.4573 -11.7370 -11.7370 -7.6436 -7.6436 -7.5592 -7.5592 -6.9973 -6.9973 -6.9065 -6.9065 -6.7763 -6.7763 -3.1653 -3.1653 -2.4441 -2.4441 -2.2869 -2.2869 -1.2334 -1.2334 -1.0403 -1.0403 -0.8841 -0.8841 -0.5391 -0.5391 0.1015 0.1015 0.1616 0.1616 0.2195 0.2195 0.4041 0.4041 0.6427 0.6427 6.6962 6.6962 k = 0.0000 0.5000 0.6617 ( 4792 PWs) bands (ev): -13.3027 -13.3027 -13.2800 -13.2800 -12.4577 -12.4577 -11.7363 -11.7363 -7.6444 -7.6444 -7.5576 -7.5576 -6.9963 -6.9963 -6.9080 -6.9080 -6.7724 -6.7724 -3.1722 -3.1722 -2.4611 -2.4611 -2.2906 -2.2906 -1.2334 -1.2334 -1.0375 -1.0375 -0.8600 -0.8600 -0.5599 -0.5599 0.1011 0.1011 0.1509 0.1509 0.2201 0.2201 0.4041 0.4041 0.6446 0.6446 6.6956 6.6956 k = 0.0000 0.5000 0.6801 ( 4788 PWs) bands (ev): -13.2999 -13.2999 -13.2799 -13.2799 -12.4579 -12.4579 -11.7357 -11.7357 -7.6450 -7.6450 -7.5564 -7.5564 -6.9955 -6.9955 -6.9091 -6.9091 -6.7693 -6.7693 -3.1777 -3.1777 -2.4744 -2.4744 -2.2934 -2.2934 -1.2335 -1.2335 -1.0352 -1.0352 -0.8381 -0.8381 -0.5792 -0.5792 0.1012 0.1012 0.1419 0.1419 0.2206 0.2206 0.4042 0.4042 0.6460 0.6460 6.6950 6.6950 k = 0.0000 0.5000 0.6985 ( 4790 PWs) bands (ev): -13.2980 -13.2980 -13.2798 -13.2798 -12.4581 -12.4581 -11.7353 -11.7353 -7.6455 -7.6455 -7.5555 -7.5555 -6.9950 -6.9950 -6.9099 -6.9099 -6.7671 -6.7671 -3.1816 -3.1816 -2.4839 -2.4839 -2.2953 -2.2953 -1.2335 -1.2335 -1.0335 -1.0335 -0.8199 -0.8199 -0.5955 -0.5955 0.1017 0.1017 0.1350 0.1350 0.2209 0.2209 0.4042 0.4042 0.6470 0.6470 6.6946 6.6946 k = 0.0000 0.5000 0.7169 ( 4790 PWs) bands (ev): -13.2968 -13.2968 -13.2798 -13.2798 -12.4583 -12.4583 -11.7351 -11.7351 -7.6457 -7.6457 -7.5550 -7.5550 -6.9946 -6.9946 -6.9103 -6.9103 -6.7658 -6.7658 -3.1840 -3.1840 -2.4897 -2.4897 -2.2965 -2.2965 -1.2336 -1.2336 -1.0325 -1.0325 -0.8074 -0.8074 -0.6068 -0.6068 0.1024 0.1024 0.1305 0.1305 0.2212 0.2212 0.4043 0.4043 0.6476 0.6476 6.6942 6.6942 k = 0.0000 0.5000 0.7352 ( 4792 PWs) bands (ev): -13.2964 -13.2964 -13.2797 -13.2797 -12.4583 -12.4583 -11.7350 -11.7350 -7.6458 -7.6458 -7.5548 -7.5548 -6.9945 -6.9945 -6.9105 -6.9105 -6.7654 -6.7654 -3.1848 -3.1848 -2.4916 -2.4916 -2.2969 -2.2969 -1.2336 -1.2336 -1.0322 -1.0322 -0.8029 -0.8029 -0.6110 -0.6110 0.1027 0.1027 0.1289 0.1289 0.2212 0.2212 0.4043 0.4043 0.6478 0.6478 6.6941 6.6941 k = 0.0000 0.5000 0.7352 ( 4792 PWs) bands (ev): -13.2964 -13.2964 -13.2797 -13.2797 -12.4583 -12.4583 -11.7350 -11.7350 -7.6458 -7.6458 -7.5548 -7.5548 -6.9945 -6.9945 -6.9105 -6.9105 -6.7654 -6.7654 -3.1848 -3.1848 -2.4916 -2.4916 -2.2969 -2.2969 -1.2336 -1.2336 -1.0322 -1.0322 -0.8029 -0.8029 -0.6110 -0.6110 0.1027 0.1027 0.1289 0.1289 0.2212 0.2212 0.4043 0.4043 0.6478 0.6478 6.6941 6.6941 k = 0.0183 0.5000 0.7352 ( 4790 PWs) bands (ev): -13.2964 -13.2964 -13.2797 -13.2797 -12.4583 -12.4583 -11.7350 -11.7350 -7.6458 -7.6458 -7.5548 -7.5548 -6.9945 -6.9945 -6.9104 -6.9104 -6.7654 -6.7654 -3.1856 -3.1856 -2.4920 -2.4920 -2.2980 -2.2980 -1.2366 -1.2366 -1.0291 -1.0291 -0.8021 -0.8021 -0.6107 -0.6107 0.1033 0.1033 0.1302 0.1302 0.2217 0.2217 0.4046 0.4046 0.6479 0.6479 6.6920 6.6920 k = 0.0365 0.5000 0.7352 ( 4788 PWs) bands (ev): -13.2963 -13.2963 -13.2797 -13.2797 -12.4582 -12.4582 -11.7351 -11.7351 -7.6457 -7.6457 -7.5548 -7.5548 -6.9945 -6.9945 -6.9102 -6.9102 -6.7654 -6.7654 -3.1881 -3.1881 -2.4932 -2.4932 -2.3012 -2.3012 -1.2449 -1.2449 -1.0205 -1.0205 -0.7995 -0.7995 -0.6098 -0.6098 0.1050 0.1050 0.1342 0.1342 0.2231 0.2231 0.4056 0.4056 0.6483 0.6483 6.6857 6.6857 k = 0.0548 0.5000 0.7352 ( 4784 PWs) bands (ev): -13.2963 -13.2963 -13.2797 -13.2797 -12.4580 -12.4580 -11.7352 -11.7352 -7.6456 -7.6456 -7.5548 -7.5548 -6.9944 -6.9944 -6.9098 -6.9098 -6.7654 -6.7654 -3.1921 -3.1921 -2.4952 -2.4952 -2.3064 -2.3064 -1.2575 -1.2575 -1.0074 -1.0074 -0.7953 -0.7953 -0.6083 -0.6083 0.1078 0.1078 0.1406 0.1406 0.2256 0.2256 0.4073 0.4073 0.6488 0.6488 6.6753 6.6753 k = 0.0731 0.5000 0.7352 ( 4784 PWs) bands (ev): -13.2962 -13.2962 -13.2797 -13.2797 -12.4578 -12.4578 -11.7354 -11.7354 -7.6455 -7.6455 -7.5547 -7.5547 -6.9943 -6.9943 -6.9094 -6.9094 -6.7655 -6.7655 -3.1976 -3.1976 -2.4981 -2.4981 -2.3136 -2.3136 -1.2731 -1.2731 -0.9911 -0.9911 -0.7896 -0.7896 -0.6061 -0.6061 0.1117 0.1117 0.1491 0.1491 0.2292 0.2292 0.4096 0.4096 0.6496 0.6496 6.6610 6.6610 k = 0.0914 0.5000 0.7352 ( 4784 PWs) bands (ev): -13.2961 -13.2961 -13.2797 -13.2797 -12.4575 -12.4575 -11.7356 -11.7356 -7.6454 -7.6454 -7.5546 -7.5546 -6.9942 -6.9942 -6.9088 -6.9088 -6.7655 -6.7655 -3.2045 -3.2045 -2.5017 -2.5017 -2.3225 -2.3225 -1.2906 -1.2906 -0.9725 -0.9725 -0.7826 -0.7826 -0.6032 -0.6032 0.1166 0.1166 0.1592 0.1592 0.2343 0.2343 0.4126 0.4126 0.6506 0.6506 6.6431 6.6431 k = 0.1096 0.5000 0.7352 ( 4786 PWs) bands (ev): -13.2960 -13.2960 -13.2797 -13.2797 -12.4572 -12.4572 -11.7358 -11.7358 -7.6452 -7.6452 -7.5545 -7.5545 -6.9940 -6.9940 -6.9081 -6.9081 -6.7656 -6.7656 -3.2126 -3.2126 -2.5061 -2.5061 -2.3330 -2.3330 -1.3093 -1.3093 -0.9526 -0.9526 -0.7746 -0.7746 -0.5996 -0.5996 0.1224 0.1224 0.1701 0.1701 0.2412 0.2412 0.4163 0.4163 0.6519 0.6519 6.6219 6.6219 k = 0.1279 0.5000 0.7352 ( 4782 PWs) bands (ev): -13.2958 -13.2958 -13.2797 -13.2797 -12.4568 -12.4568 -11.7361 -11.7361 -7.6450 -7.6450 -7.5544 -7.5544 -6.9939 -6.9939 -6.9072 -6.9072 -6.7657 -6.7657 -3.2219 -3.2219 -2.5114 -2.5114 -2.3449 -2.3449 -1.3286 -1.3286 -0.9316 -0.9316 -0.7657 -0.7657 -0.5952 -0.5952 0.1290 0.1290 0.1812 0.1812 0.2504 0.2504 0.4207 0.4207 0.6535 0.6535 6.5978 6.5978 k = 0.1462 0.5000 0.7352 ( 4784 PWs) bands (ev): -13.2957 -13.2957 -13.2797 -13.2797 -12.4564 -12.4564 -11.7365 -11.7365 -7.6448 -7.6448 -7.5543 -7.5543 -6.9937 -6.9937 -6.9063 -6.9063 -6.7658 -6.7658 -3.2320 -3.2320 -2.5173 -2.5173 -2.3580 -2.3580 -1.3482 -1.3482 -0.9101 -0.9101 -0.7561 -0.7561 -0.5901 -0.5901 0.1363 0.1363 0.1917 0.1917 0.2622 0.2622 0.4257 0.4257 0.6554 0.6554 6.5711 6.5711 k = 0.1645 0.5000 0.7352 ( 4788 PWs) bands (ev): -13.2955 -13.2955 -13.2798 -13.2798 -12.4559 -12.4559 -11.7368 -11.7368 -7.6446 -7.6446 -7.5541 -7.5541 -6.9935 -6.9935 -6.9053 -6.9053 -6.7659 -6.7659 -3.2429 -3.2429 -2.5240 -2.5240 -2.3719 -2.3719 -1.3678 -1.3678 -0.8884 -0.8884 -0.7461 -0.7461 -0.5842 -0.5842 0.1441 0.1441 0.2012 0.2012 0.2765 0.2765 0.4315 0.4315 0.6576 0.6576 6.5422 6.5422 k = 0.1827 0.5000 0.7352 ( 4786 PWs) bands (ev): -13.2953 -13.2953 -13.2798 -13.2798 -12.4554 -12.4554 -11.7372 -11.7372 -7.6443 -7.6443 -7.5540 -7.5540 -6.9933 -6.9933 -6.9042 -6.9042 -6.7660 -6.7660 -3.2543 -3.2543 -2.5313 -2.5313 -2.3866 -2.3866 -1.3871 -1.3871 -0.8666 -0.8666 -0.7359 -0.7359 -0.5776 -0.5776 0.1525 0.1525 0.2098 0.2098 0.2930 0.2930 0.4378 0.4378 0.6603 0.6603 6.5117 6.5117 k = 0.2010 0.5000 0.7352 ( 4790 PWs) bands (ev): -13.2951 -13.2951 -13.2798 -13.2798 -12.4549 -12.4549 -11.7376 -11.7376 -7.6441 -7.6441 -7.5538 -7.5538 -6.9932 -6.9932 -6.9030 -6.9030 -6.7661 -6.7661 -3.2662 -3.2662 -2.5391 -2.5391 -2.4017 -2.4017 -1.4061 -1.4061 -0.8450 -0.8450 -0.7257 -0.7257 -0.5704 -0.5704 0.1610 0.1610 0.2175 0.2175 0.3111 0.3111 0.4448 0.4448 0.6634 0.6634 6.4799 6.4799 k = 0.2193 0.5000 0.7352 ( 4792 PWs) bands (ev): -13.2949 -13.2949 -13.2798 -13.2798 -12.4543 -12.4543 -11.7380 -11.7380 -7.6439 -7.6439 -7.5537 -7.5537 -6.9930 -6.9930 -6.9018 -6.9018 -6.7662 -6.7662 -3.2782 -3.2782 -2.5475 -2.5475 -2.4170 -2.4170 -1.4244 -1.4244 -0.8239 -0.8239 -0.7155 -0.7155 -0.5627 -0.5627 0.1698 0.1698 0.2248 0.2248 0.3300 0.3300 0.4524 0.4524 0.6669 0.6669 6.4474 6.4474 k = 0.2376 0.5000 0.7352 ( 4792 PWs) bands (ev): -13.2947 -13.2947 -13.2798 -13.2798 -12.4537 -12.4537 -11.7385 -11.7385 -7.6436 -7.6436 -7.5535 -7.5535 -6.9928 -6.9928 -6.9005 -6.9005 -6.7663 -6.7663 -3.2903 -3.2903 -2.5561 -2.5561 -2.4324 -2.4324 -1.4421 -1.4421 -0.8034 -0.8034 -0.7055 -0.7055 -0.5545 -0.5545 0.1786 0.1786 0.2317 0.2317 0.3492 0.3492 0.4604 0.4604 0.6711 0.6711 6.4145 6.4145 k = 0.2558 0.5000 0.7352 ( 4790 PWs) bands (ev): -13.2944 -13.2944 -13.2798 -13.2798 -12.4532 -12.4532 -11.7389 -11.7389 -7.6433 -7.6433 -7.5533 -7.5533 -6.9926 -6.9926 -6.8992 -6.8992 -6.7664 -6.7664 -3.3023 -3.3023 -2.5650 -2.5650 -2.4476 -2.4476 -1.4589 -1.4589 -0.7836 -0.7836 -0.6959 -0.6959 -0.5460 -0.5460 0.1872 0.1872 0.2385 0.2385 0.3681 0.3681 0.4689 0.4689 0.6758 0.6758 6.3817 6.3817 k = 0.2741 0.5000 0.7352 ( 4794 PWs) bands (ev): -13.2942 -13.2942 -13.2799 -13.2799 -12.4526 -12.4526 -11.7394 -11.7394 -7.6431 -7.6431 -7.5532 -7.5532 -6.9925 -6.9925 -6.8979 -6.8979 -6.7666 -6.7666 -3.3140 -3.3140 -2.5739 -2.5739 -2.4624 -2.4624 -1.4749 -1.4749 -0.7648 -0.7648 -0.6866 -0.6866 -0.5375 -0.5375 0.1957 0.1957 0.2451 0.2451 0.3862 0.3862 0.4776 0.4776 0.6811 0.6811 6.3493 6.3493 k = 0.2924 0.5000 0.7352 ( 4792 PWs) bands (ev): -13.2940 -13.2940 -13.2799 -13.2799 -12.4520 -12.4520 -11.7398 -11.7398 -7.6428 -7.6428 -7.5530 -7.5530 -6.9923 -6.9923 -6.8966 -6.8966 -6.7667 -6.7667 -3.3253 -3.3253 -2.5829 -2.5829 -2.4767 -2.4767 -1.4899 -1.4899 -0.7471 -0.7471 -0.6778 -0.6778 -0.5289 -0.5289 0.2038 0.2038 0.2517 0.2517 0.4033 0.4033 0.4865 0.4865 0.6870 0.6870 6.3179 6.3179 k = 0.3107 0.5000 0.7352 ( 4796 PWs) bands (ev): -13.2937 -13.2937 -13.2799 -13.2799 -12.4515 -12.4515 -11.7402 -11.7402 -7.6426 -7.6426 -7.5528 -7.5528 -6.9922 -6.9922 -6.8953 -6.8953 -6.7668 -6.7668 -3.3361 -3.3361 -2.5916 -2.5916 -2.4903 -2.4903 -1.5038 -1.5038 -0.7306 -0.7306 -0.6695 -0.6695 -0.5205 -0.5205 0.2115 0.2115 0.2581 0.2581 0.4189 0.4189 0.4953 0.4953 0.6934 0.6934 6.2877 6.2877 k = 0.3289 0.5000 0.7352 ( 4794 PWs) bands (ev): -13.2935 -13.2935 -13.2800 -13.2800 -12.4510 -12.4510 -11.7406 -11.7406 -7.6424 -7.6424 -7.5527 -7.5527 -6.9921 -6.9921 -6.8941 -6.8941 -6.7669 -6.7669 -3.3462 -3.3462 -2.6000 -2.6000 -2.5031 -2.5031 -1.5166 -1.5166 -0.7155 -0.7155 -0.6616 -0.6616 -0.5125 -0.5125 0.2187 0.2187 0.2643 0.2643 0.4330 0.4330 0.5041 0.5041 0.7002 0.7002 6.2591 6.2591 k = 0.3472 0.5000 0.7352 ( 4798 PWs) bands (ev): -13.2933 -13.2933 -13.2800 -13.2800 -12.4505 -12.4505 -11.7410 -11.7410 -7.6422 -7.6422 -7.5525 -7.5525 -6.9920 -6.9920 -6.8929 -6.8929 -6.7670 -6.7670 -3.3556 -3.3556 -2.6080 -2.6080 -2.5150 -2.5150 -1.5283 -1.5283 -0.7019 -0.7019 -0.6543 -0.6543 -0.5049 -0.5049 0.2254 0.2254 0.2703 0.2703 0.4455 0.4455 0.5125 0.5125 0.7073 0.7073 6.2325 6.2325 k = 0.3655 0.5000 0.7352 ( 4798 PWs) bands (ev): -13.2930 -13.2930 -13.2801 -13.2801 -12.4500 -12.4500 -11.7414 -11.7414 -7.6420 -7.6420 -7.5524 -7.5524 -6.9919 -6.9919 -6.8918 -6.8918 -6.7671 -6.7671 -3.3641 -3.3641 -2.6155 -2.6155 -2.5258 -2.5258 -1.5387 -1.5387 -0.6899 -0.6899 -0.6474 -0.6474 -0.4979 -0.4979 0.2314 0.2314 0.2759 0.2759 0.4562 0.4562 0.5205 0.5205 0.7145 0.7145 6.2082 6.2082 k = 0.3838 0.5000 0.7352 ( 4794 PWs) bands (ev): -13.2928 -13.2928 -13.2802 -13.2802 -12.4496 -12.4496 -11.7417 -11.7417 -7.6419 -7.6419 -7.5522 -7.5522 -6.9917 -6.9917 -6.8908 -6.8908 -6.7672 -6.7672 -3.3717 -3.3717 -2.6222 -2.6222 -2.5354 -2.5354 -1.5478 -1.5478 -0.6796 -0.6796 -0.6411 -0.6411 -0.4915 -0.4915 0.2368 0.2368 0.2811 0.2811 0.4653 0.4653 0.5278 0.5278 0.7215 0.7215 6.1864 6.1864 k = 0.4020 0.5000 0.7352 ( 4790 PWs) bands (ev): -13.2926 -13.2926 -13.2802 -13.2802 -12.4492 -12.4492 -11.7420 -11.7420 -7.6417 -7.6417 -7.5521 -7.5521 -6.9916 -6.9916 -6.8899 -6.8899 -6.7672 -6.7672 -3.3783 -3.3783 -2.6282 -2.6282 -2.5438 -2.5438 -1.5557 -1.5557 -0.6711 -0.6711 -0.6353 -0.6353 -0.4860 -0.4860 0.2414 0.2414 0.2858 0.2858 0.4728 0.4728 0.5343 0.5343 0.7281 0.7281 6.1673 6.1673 k = 0.4203 0.5000 0.7352 ( 4796 PWs) bands (ev): -13.2924 -13.2924 -13.2803 -13.2803 -12.4489 -12.4489 -11.7423 -11.7423 -7.6416 -7.6416 -7.5520 -7.5520 -6.9916 -6.9916 -6.8891 -6.8891 -6.7673 -6.7673 -3.3839 -3.3839 -2.6332 -2.6332 -2.5510 -2.5510 -1.5622 -1.5622 -0.6643 -0.6643 -0.6301 -0.6301 -0.4814 -0.4814 0.2453 0.2453 0.2899 0.2899 0.4787 0.4787 0.5400 0.5400 0.7340 0.7340 6.1512 6.1512 k = 0.4386 0.5000 0.7352 ( 4796 PWs) bands (ev): -13.2923 -13.2923 -13.2804 -13.2804 -12.4486 -12.4486 -11.7425 -11.7425 -7.6416 -7.6416 -7.5519 -7.5519 -6.9916 -6.9916 -6.8885 -6.8885 -6.7673 -6.7673 -3.3884 -3.3884 -2.6374 -2.6374 -2.5567 -2.5567 -1.5674 -1.5674 -0.6592 -0.6592 -0.6256 -0.6256 -0.4777 -0.4777 0.2484 0.2484 0.2932 0.2932 0.4834 0.4834 0.5446 0.5446 0.7391 0.7391 6.1383 6.1383 k = 0.4569 0.5000 0.7352 ( 4806 PWs) bands (ev): -13.2922 -13.2922 -13.2804 -13.2804 -12.4485 -12.4485 -11.7426 -11.7426 -7.6415 -7.6415 -7.5519 -7.5519 -6.9916 -6.9916 -6.8881 -6.8881 -6.7674 -6.7674 -3.3917 -3.3917 -2.6405 -2.6405 -2.5611 -2.5611 -1.5712 -1.5712 -0.6556 -0.6556 -0.6220 -0.6220 -0.4750 -0.4750 0.2507 0.2507 0.2958 0.2958 0.4867 0.4867 0.5481 0.5481 0.7430 0.7430 6.1287 6.1287 k = 0.4751 0.5000 0.7352 ( 4808 PWs) bands (ev): -13.2920 -13.2920 -13.2805 -13.2805 -12.4483 -12.4483 -11.7428 -11.7428 -7.6415 -7.6415 -7.5518 -7.5518 -6.9915 -6.9915 -6.8878 -6.8878 -6.7674 -6.7674 -3.3939 -3.3939 -2.6426 -2.6426 -2.5640 -2.5640 -1.5737 -1.5737 -0.6535 -0.6535 -0.6194 -0.6194 -0.4733 -0.4733 0.2522 0.2522 0.2975 0.2975 0.4889 0.4889 0.5504 0.5504 0.7456 0.7456 6.1225 6.1225 k = 0.4934 0.5000 0.7352 ( 4812 PWs) bands (ev): -13.2920 -13.2920 -13.2806 -13.2806 -12.4482 -12.4482 -11.7428 -11.7428 -7.6415 -7.6415 -7.5518 -7.5518 -6.9915 -6.9915 -6.8877 -6.8877 -6.7674 -6.7674 -3.3948 -3.3948 -2.6435 -2.6435 -2.5654 -2.5654 -1.5747 -1.5747 -0.6528 -0.6528 -0.6179 -0.6179 -0.4727 -0.4727 0.2528 0.2528 0.2983 0.2983 0.4899 0.4899 0.5514 0.5514 0.7469 0.7469 6.1197 6.1197 k = 0.4934 0.5000 0.7352 ( 4812 PWs) bands (ev): -13.2920 -13.2920 -13.2806 -13.2806 -12.4482 -12.4482 -11.7428 -11.7428 -7.6415 -7.6415 -7.5518 -7.5518 -6.9915 -6.9915 -6.8877 -6.8877 -6.7674 -6.7674 -3.3948 -3.3948 -2.6435 -2.6435 -2.5654 -2.5654 -1.5747 -1.5747 -0.6528 -0.6528 -0.6179 -0.6179 -0.4727 -0.4727 0.2528 0.2528 0.2983 0.2983 0.4899 0.4899 0.5514 0.5514 0.7469 0.7469 6.1197 6.1197 k = 0.4804 0.4869 0.7352 ( 4806 PWs) bands (ev): -13.2922 -13.2922 -13.2804 -13.2804 -12.4484 -12.4484 -11.7427 -11.7427 -7.6415 -7.6415 -7.5518 -7.5518 -6.9915 -6.9915 -6.8879 -6.8879 -6.7674 -6.7674 -3.3938 -3.3938 -2.6423 -2.6423 -2.5634 -2.5634 -1.5737 -1.5737 -0.6530 -0.6530 -0.6206 -0.6206 -0.4729 -0.4729 0.2522 0.2522 0.2973 0.2973 0.4885 0.4885 0.5502 0.5502 0.7452 0.7452 6.1226 6.1226 k = 0.4674 0.4737 0.7352 ( 4806 PWs) bands (ev): -13.2926 -13.2926 -13.2801 -13.2801 -12.4486 -12.4486 -11.7424 -11.7424 -7.6416 -7.6416 -7.5519 -7.5519 -6.9916 -6.9916 -6.8883 -6.8883 -6.7674 -6.7674 -3.3916 -3.3916 -2.6399 -2.6399 -2.5594 -2.5594 -1.5718 -1.5718 -0.6535 -0.6535 -0.6259 -0.6259 -0.4733 -0.4733 0.2508 0.2508 0.2952 0.2952 0.4856 0.4856 0.5478 0.5478 0.7419 0.7419 6.1283 6.1283 k = 0.4545 0.4606 0.7352 ( 4790 PWs) bands (ev): -13.2931 -13.2931 -13.2796 -13.2796 -12.4489 -12.4489 -11.7421 -11.7421 -7.6416 -7.6416 -7.5519 -7.5519 -6.9915 -6.9915 -6.8890 -6.8890 -6.7674 -6.7674 -3.3884 -3.3884 -2.6364 -2.6364 -2.5534 -2.5534 -1.5689 -1.5689 -0.6543 -0.6543 -0.6338 -0.6338 -0.4739 -0.4739 0.2488 0.2488 0.2922 0.2922 0.4814 0.4814 0.5441 0.5441 0.7370 0.7370 6.1368 6.1368 k = 0.4415 0.4474 0.7352 ( 4794 PWs) bands (ev): -13.2938 -13.2938 -13.2789 -13.2789 -12.4494 -12.4494 -11.7415 -11.7415 -7.6418 -7.6418 -7.5520 -7.5520 -6.9916 -6.9916 -6.8899 -6.8899 -6.7674 -6.7674 -3.3841 -3.3841 -2.6316 -2.6316 -2.5455 -2.5455 -1.5651 -1.5651 -0.6554 -0.6554 -0.6439 -0.6439 -0.4748 -0.4748 0.2460 0.2460 0.2881 0.2881 0.4758 0.4758 0.5393 0.5393 0.7305 0.7305 6.1480 6.1480 k = 0.4285 0.4342 0.7352 ( 4790 PWs) bands (ev): -13.2946 -13.2946 -13.2782 -13.2782 -12.4500 -12.4500 -11.7409 -11.7409 -7.6420 -7.6420 -7.5521 -7.5521 -6.9917 -6.9917 -6.8910 -6.8910 -6.7674 -6.7674 -3.3788 -3.3788 -2.6258 -2.6258 -2.5358 -2.5358 -1.5604 -1.5604 -0.6590 -0.6590 -0.6541 -0.6541 -0.4758 -0.4758 0.2425 0.2425 0.2832 0.2832 0.4689 0.4689 0.5333 0.5333 0.7224 0.7224 6.1619 6.1619 k = 0.4155 0.4211 0.7352 ( 4806 PWs) bands (ev): -13.2956 -13.2956 -13.2774 -13.2774 -12.4507 -12.4507 -11.7402 -11.7402 -7.6423 -7.6423 -7.5524 -7.5524 -6.9919 -6.9919 -6.8924 -6.8924 -6.7675 -6.7675 -3.3725 -3.3725 -2.6189 -2.6189 -2.5243 -2.5243 -1.5547 -1.5547 -0.6720 -0.6720 -0.6570 -0.6570 -0.4770 -0.4770 0.2382 0.2382 0.2773 0.2773 0.4607 0.4607 0.5262 0.5262 0.7128 0.7128 6.1783 6.1783 k = 0.4025 0.4079 0.7352 ( 4806 PWs) bands (ev): -13.2966 -13.2966 -13.2766 -13.2766 -12.4514 -12.4514 -11.7393 -11.7393 -7.6426 -7.6426 -7.5526 -7.5526 -6.9920 -6.9920 -6.8939 -6.8939 -6.7676 -6.7676 -3.3652 -3.3652 -2.6109 -2.6109 -2.5113 -2.5113 -1.5481 -1.5481 -0.6882 -0.6882 -0.6588 -0.6588 -0.4784 -0.4784 0.2330 0.2330 0.2706 0.2706 0.4514 0.4514 0.5179 0.5179 0.7017 0.7017 6.1973 6.1973 k = 0.3895 0.3948 0.7352 ( 4798 PWs) bands (ev): -13.2977 -13.2977 -13.2757 -13.2757 -12.4523 -12.4523 -11.7384 -11.7384 -7.6428 -7.6428 -7.5527 -7.5527 -6.9921 -6.9921 -6.8955 -6.8955 -6.7676 -6.7676 -3.3569 -3.3569 -2.6020 -2.6020 -2.4967 -2.4967 -1.5406 -1.5406 -0.7059 -0.7059 -0.6606 -0.6606 -0.4800 -0.4800 0.2270 0.2270 0.2631 0.2631 0.4410 0.4410 0.5086 0.5086 0.6891 0.6891 6.2185 6.2185 k = 0.3765 0.3816 0.7352 ( 4802 PWs) bands (ev): -13.2988 -13.2988 -13.2747 -13.2747 -12.4532 -12.4532 -11.7373 -11.7373 -7.6432 -7.6432 -7.5530 -7.5530 -6.9923 -6.9923 -6.8973 -6.8973 -6.7677 -6.7677 -3.3477 -3.3477 -2.5922 -2.5922 -2.4809 -2.4809 -1.5323 -1.5323 -0.7249 -0.7249 -0.6627 -0.6627 -0.4817 -0.4817 0.2201 0.2201 0.2549 0.2549 0.4295 0.4295 0.4982 0.4982 0.6751 0.6751 6.2419 6.2419 k = 0.3636 0.3685 0.7352 ( 4802 PWs) bands (ev): -13.3000 -13.3000 -13.2737 -13.2737 -12.4543 -12.4543 -11.7361 -11.7361 -7.6435 -7.6435 -7.5532 -7.5532 -6.9924 -6.9924 -6.8993 -6.8993 -6.7677 -6.7677 -3.3377 -3.3377 -2.5815 -2.5815 -2.4639 -2.4639 -1.5231 -1.5231 -0.7446 -0.7446 -0.6649 -0.6649 -0.4836 -0.4836 0.2123 0.2123 0.2460 0.2460 0.4171 0.4171 0.4869 0.4869 0.6598 0.6598 6.2674 6.2674 k = 0.3506 0.3553 0.7352 ( 4794 PWs) bands (ev): -13.3013 -13.3013 -13.2726 -13.2726 -12.4554 -12.4554 -11.7349 -11.7349 -7.6439 -7.6439 -7.5534 -7.5534 -6.9925 -6.9925 -6.9013 -6.9013 -6.7677 -6.7677 -3.3267 -3.3267 -2.5701 -2.5701 -2.4460 -2.4460 -1.5131 -1.5131 -0.7647 -0.7647 -0.6673 -0.6673 -0.4856 -0.4856 0.2035 0.2035 0.2366 0.2366 0.4038 0.4038 0.4746 0.4746 0.6433 0.6433 6.2946 6.2946 k = 0.3376 0.3421 0.7352 ( 4790 PWs) bands (ev): -13.3026 -13.3026 -13.2715 -13.2715 -12.4566 -12.4566 -11.7336 -11.7336 -7.6443 -7.6443 -7.5536 -7.5536 -6.9927 -6.9927 -6.9035 -6.9035 -6.7676 -6.7676 -3.3150 -3.3150 -2.5580 -2.5580 -2.4274 -2.4274 -1.5023 -1.5023 -0.7850 -0.7850 -0.6699 -0.6699 -0.4877 -0.4877 0.1937 0.1937 0.2267 0.2267 0.3899 0.3899 0.4615 0.4615 0.6256 0.6256 6.3236 6.3236 k = 0.3246 0.3290 0.7352 ( 4784 PWs) bands (ev): -13.3040 -13.3040 -13.2704 -13.2704 -12.4578 -12.4578 -11.7322 -11.7322 -7.6448 -7.6448 -7.5538 -7.5538 -6.9928 -6.9928 -6.9058 -6.9058 -6.7676 -6.7676 -3.3026 -3.3026 -2.5452 -2.5452 -2.4083 -2.4083 -1.4907 -1.4907 -0.8049 -0.8049 -0.6727 -0.6727 -0.4900 -0.4900 0.1829 0.1829 0.2163 0.2163 0.3752 0.3752 0.4475 0.4475 0.6068 0.6068 6.3539 6.3539 k = 0.3116 0.3158 0.7352 ( 4784 PWs) bands (ev): -13.3054 -13.3054 -13.2692 -13.2692 -12.4591 -12.4591 -11.7308 -11.7308 -7.6453 -7.6453 -7.5540 -7.5540 -6.9930 -6.9930 -6.9081 -6.9081 -6.7675 -6.7675 -3.2894 -3.2894 -2.5320 -2.5320 -2.3890 -2.3890 -1.4785 -1.4785 -0.8242 -0.8242 -0.6756 -0.6756 -0.4924 -0.4924 0.1710 0.1710 0.2056 0.2056 0.3601 0.3601 0.4328 0.4328 0.5870 0.5870 6.3855 6.3855 k = 0.2986 0.3027 0.7352 ( 4772 PWs) bands (ev): -13.3068 -13.3068 -13.2681 -13.2681 -12.4605 -12.4605 -11.7293 -11.7293 -7.6458 -7.6458 -7.5541 -7.5541 -6.9932 -6.9932 -6.9105 -6.9105 -6.7673 -6.7673 -3.2757 -3.2757 -2.5183 -2.5183 -2.3697 -2.3697 -1.4655 -1.4655 -0.8423 -0.8423 -0.6787 -0.6787 -0.4948 -0.4948 0.1581 0.1581 0.1946 0.1946 0.3445 0.3445 0.4174 0.4174 0.5664 0.5664 6.4180 6.4180 k = 0.2857 0.2895 0.7352 ( 4772 PWs) bands (ev): -13.3082 -13.3082 -13.2669 -13.2669 -12.4618 -12.4618 -11.7277 -11.7277 -7.6463 -7.6463 -7.5543 -7.5543 -6.9934 -6.9934 -6.9130 -6.9130 -6.7672 -6.7672 -3.2614 -3.2614 -2.5043 -2.5043 -2.3508 -2.3508 -1.4519 -1.4519 -0.8589 -0.8589 -0.6820 -0.6820 -0.4973 -0.4973 0.1441 0.1441 0.1834 0.1834 0.3287 0.3287 0.4014 0.4014 0.5451 0.5451 6.4513 6.4513 k = 0.2727 0.2763 0.7352 ( 4776 PWs) bands (ev): -13.3097 -13.3097 -13.2657 -13.2657 -12.4632 -12.4632 -11.7261 -11.7261 -7.6469 -7.6469 -7.5545 -7.5545 -6.9936 -6.9936 -6.9154 -6.9154 -6.7671 -6.7671 -3.2466 -3.2466 -2.4901 -2.4901 -2.3325 -2.3325 -1.4378 -1.4378 -0.8736 -0.8736 -0.6854 -0.6854 -0.4998 -0.4998 0.1291 0.1291 0.1721 0.1721 0.3126 0.3126 0.3850 0.3850 0.5232 0.5232 6.4851 6.4851 k = 0.2597 0.2632 0.7352 ( 4788 PWs) bands (ev): -13.3111 -13.3111 -13.2645 -13.2645 -12.4647 -12.4647 -11.7246 -11.7246 -7.6475 -7.6475 -7.5547 -7.5547 -6.9939 -6.9939 -6.9179 -6.9179 -6.7670 -6.7670 -3.2314 -3.2314 -2.4758 -2.4758 -2.3151 -2.3151 -1.4231 -1.4231 -0.8861 -0.8861 -0.6890 -0.6890 -0.5024 -0.5024 0.1130 0.1130 0.1606 0.1606 0.2965 0.2965 0.3681 0.3681 0.5007 0.5007 6.5192 6.5192 k = 0.2467 0.2500 0.7352 ( 4792 PWs) bands (ev): -13.3126 -13.3126 -13.2633 -13.2633 -12.4661 -12.4661 -11.7230 -11.7230 -7.6481 -7.6481 -7.5549 -7.5549 -6.9941 -6.9941 -6.9204 -6.9204 -6.7668 -6.7668 -3.2160 -3.2160 -2.4614 -2.4614 -2.2988 -2.2988 -1.4080 -1.4080 -0.8960 -0.8960 -0.6927 -0.6927 -0.5050 -0.5050 0.0958 0.0958 0.1493 0.1493 0.2804 0.2804 0.3509 0.3509 0.4779 0.4779 6.5532 6.5532 k = 0.2337 0.2369 0.7352 ( 4792 PWs) bands (ev): -13.3140 -13.3140 -13.2622 -13.2622 -12.4675 -12.4675 -11.7214 -11.7214 -7.6487 -7.6487 -7.5550 -7.5550 -6.9943 -6.9943 -6.9227 -6.9227 -6.7666 -6.7666 -3.2003 -3.2003 -2.4471 -2.4471 -2.2839 -2.2839 -1.3924 -1.3924 -0.9031 -0.9031 -0.6966 -0.6966 -0.5076 -0.5076 0.0777 0.0777 0.1380 0.1380 0.2644 0.2644 0.3335 0.3335 0.4549 0.4549 6.5870 6.5870 k = 0.2207 0.2237 0.7352 ( 4800 PWs) bands (ev): -13.3154 -13.3154 -13.2610 -13.2610 -12.4689 -12.4689 -11.7198 -11.7198 -7.6493 -7.6493 -7.5551 -7.5551 -6.9946 -6.9946 -6.9251 -6.9251 -6.7664 -6.7664 -3.1845 -3.1845 -2.4330 -2.4330 -2.2705 -2.2705 -1.3766 -1.3766 -0.9071 -0.9071 -0.7005 -0.7005 -0.5102 -0.5102 0.0585 0.0585 0.1269 0.1269 0.2487 0.2487 0.3159 0.3159 0.4319 0.4319 6.6202 6.6202 k = 0.2078 0.2105 0.7352 ( 4796 PWs) bands (ev): -13.3168 -13.3168 -13.2599 -13.2599 -12.4703 -12.4703 -11.7182 -11.7182 -7.6500 -7.6500 -7.5552 -7.5552 -6.9948 -6.9948 -6.9273 -6.9273 -6.7661 -6.7661 -3.1687 -3.1687 -2.4191 -2.4191 -2.2589 -2.2589 -1.3605 -1.3605 -0.9079 -0.9079 -0.7045 -0.7045 -0.5127 -0.5127 0.0383 0.0383 0.1161 0.1161 0.2333 0.2333 0.2985 0.2985 0.4090 0.4090 6.6527 6.6527 k = 0.1948 0.1974 0.7352 ( 4794 PWs) bands (ev): -13.3182 -13.3182 -13.2588 -13.2588 -12.4717 -12.4717 -11.7167 -11.7167 -7.6506 -7.6506 -7.5552 -7.5552 -6.9951 -6.9951 -6.9295 -6.9295 -6.7658 -6.7658 -3.1530 -3.1530 -2.4056 -2.4056 -2.2491 -2.2491 -1.3443 -1.3443 -0.9054 -0.9054 -0.7086 -0.7086 -0.5151 -0.5151 0.0171 0.0171 0.1055 0.1055 0.2185 0.2185 0.2811 0.2811 0.3863 0.3863 6.6842 6.6842 k = 0.1818 0.1842 0.7352 ( 4782 PWs) bands (ev): -13.3195 -13.3195 -13.2577 -13.2577 -12.4730 -12.4730 -11.7152 -11.7152 -7.6511 -7.6511 -7.5552 -7.5552 -6.9953 -6.9953 -6.9315 -6.9315 -6.7654 -6.7654 -3.1375 -3.1375 -2.3926 -2.3926 -2.2410 -2.2410 -1.3281 -1.3281 -0.8996 -0.8996 -0.7128 -0.7128 -0.5175 -0.5175 -0.0050 -0.0050 0.0953 0.0953 0.2041 0.2041 0.2641 0.2641 0.3640 0.3640 6.7145 6.7145 k = 0.1688 0.1711 0.7352 ( 4782 PWs) bands (ev): -13.3207 -13.3207 -13.2567 -13.2567 -12.4742 -12.4742 -11.7138 -11.7138 -7.6516 -7.6516 -7.5552 -7.5552 -6.9955 -6.9955 -6.9334 -6.9334 -6.7651 -6.7651 -3.1224 -3.1224 -2.3801 -2.3801 -2.2347 -2.2347 -1.3119 -1.3119 -0.8907 -0.8907 -0.7169 -0.7169 -0.5198 -0.5198 -0.0279 -0.0279 0.0855 0.0855 0.1904 0.1904 0.2474 0.2474 0.3423 0.3423 6.7434 6.7434 k = 0.1558 0.1579 0.7352 ( 4782 PWs) bands (ev): -13.3219 -13.3219 -13.2557 -13.2557 -12.4754 -12.4754 -11.7124 -11.7124 -7.6522 -7.6522 -7.5552 -7.5552 -6.9958 -6.9958 -6.9352 -6.9352 -6.7648 -6.7648 -3.1077 -3.1077 -2.3683 -2.3683 -2.2301 -2.2301 -1.2959 -1.2959 -0.8789 -0.8789 -0.7209 -0.7209 -0.5220 -0.5220 -0.0516 -0.0516 0.0761 0.0761 0.1775 0.1775 0.2313 0.2313 0.3213 0.3213 6.7708 6.7708 k = 0.1428 0.1447 0.7352 ( 4774 PWs) bands (ev): -13.3231 -13.3231 -13.2548 -13.2548 -12.4766 -12.4766 -11.7111 -11.7111 -7.6527 -7.6527 -7.5552 -7.5552 -6.9960 -6.9960 -6.9369 -6.9369 -6.7644 -6.7644 -3.0935 -3.0935 -2.3571 -2.3571 -2.2269 -2.2269 -1.2803 -1.2803 -0.8644 -0.8644 -0.7247 -0.7247 -0.5241 -0.5241 -0.0759 -0.0759 0.0673 0.0673 0.1653 0.1653 0.2159 0.2159 0.3012 0.3012 6.7963 6.7963 k = 0.1298 0.1316 0.7352 ( 4770 PWs) bands (ev): -13.3241 -13.3241 -13.2540 -13.2540 -12.4777 -12.4777 -11.7099 -11.7099 -7.6532 -7.6532 -7.5552 -7.5552 -6.9963 -6.9963 -6.9384 -6.9384 -6.7641 -6.7641 -3.0801 -3.0801 -2.3467 -2.3467 -2.2251 -2.2251 -1.2651 -1.2651 -0.8479 -0.8479 -0.7281 -0.7281 -0.5261 -0.5261 -0.1009 -0.1009 0.0590 0.0590 0.1540 0.1540 0.2013 0.2013 0.2822 0.2822 6.8200 6.8200 k = 0.1169 0.1184 0.7352 ( 4762 PWs) bands (ev): -13.3251 -13.3251 -13.2532 -13.2532 -12.4786 -12.4786 -11.7088 -11.7088 -7.6536 -7.6536 -7.5551 -7.5551 -6.9965 -6.9965 -6.9398 -6.9398 -6.7637 -6.7637 -3.0675 -3.0675 -2.3372 -2.3372 -2.2244 -2.2244 -1.2506 -1.2506 -0.8299 -0.8299 -0.7308 -0.7308 -0.5279 -0.5279 -0.1261 -0.1261 0.0513 0.0513 0.1437 0.1437 0.1876 0.1876 0.2643 0.2643 6.8417 6.8417 k = 0.1039 0.1053 0.7352 ( 4764 PWs) bands (ev): -13.3260 -13.3260 -13.2524 -13.2524 -12.4795 -12.4795 -11.7077 -11.7077 -7.6541 -7.6541 -7.5550 -7.5550 -6.9967 -6.9967 -6.9410 -6.9410 -6.7634 -6.7634 -3.0558 -3.0558 -2.3286 -2.3286 -2.2245 -2.2245 -1.2370 -1.2370 -0.8116 -0.8116 -0.7321 -0.7321 -0.5295 -0.5295 -0.1516 -0.1516 0.0443 0.0443 0.1344 0.1344 0.1750 0.1750 0.2478 0.2478 6.8613 6.8613 k = 0.0909 0.0921 0.7352 ( 4762 PWs) bands (ev): -13.3268 -13.3268 -13.2518 -13.2518 -12.4804 -12.4804 -11.7068 -11.7068 -7.6544 -7.6544 -7.5550 -7.5550 -6.9970 -6.9970 -6.9421 -6.9421 -6.7631 -6.7631 -3.0452 -3.0452 -2.3209 -2.3209 -2.2252 -2.2252 -1.2243 -1.2243 -0.7948 -0.7948 -0.7306 -0.7306 -0.5310 -0.5310 -0.1769 -0.1769 0.0380 0.0380 0.1262 0.1262 0.1636 0.1636 0.2327 0.2327 6.8788 6.8788 k = 0.0779 0.0790 0.7352 ( 4762 PWs) bands (ev): -13.3275 -13.3275 -13.2512 -13.2512 -12.4811 -12.4811 -11.7060 -11.7060 -7.6548 -7.6548 -7.5550 -7.5550 -6.9972 -6.9972 -6.9430 -6.9430 -6.7629 -6.7629 -3.0358 -3.0358 -2.3142 -2.3142 -2.2263 -2.2263 -1.2127 -1.2127 -0.7821 -0.7821 -0.7244 -0.7244 -0.5323 -0.5323 -0.2015 -0.2015 0.0323 0.0323 0.1191 0.1191 0.1534 0.1534 0.2192 0.2192 6.8939 6.8939 k = 0.0649 0.0658 0.7352 ( 4762 PWs) bands (ev): -13.3281 -13.3281 -13.2507 -13.2507 -12.4817 -12.4817 -11.7053 -11.7053 -7.6551 -7.6551 -7.5549 -7.5549 -6.9974 -6.9974 -6.9438 -6.9438 -6.7626 -6.7626 -3.0276 -3.0276 -2.3086 -2.3086 -2.2276 -2.2276 -1.2026 -1.2026 -0.7752 -0.7752 -0.7125 -0.7125 -0.5334 -0.5334 -0.2251 -0.2251 0.0275 0.0275 0.1131 0.1131 0.1447 0.1447 0.2075 0.2075 6.9069 6.9069 k = 0.0519 0.0526 0.7352 ( 4758 PWs) bands (ev): -13.3286 -13.3286 -13.2503 -13.2503 -12.4822 -12.4822 -11.7047 -11.7047 -7.6554 -7.6554 -7.5549 -7.5549 -6.9975 -6.9975 -6.9445 -6.9445 -6.7624 -6.7624 -3.0208 -3.0208 -2.3039 -2.3039 -2.2289 -2.2289 -1.1940 -1.1940 -0.7727 -0.7727 -0.6971 -0.6971 -0.5343 -0.5343 -0.2467 -0.2467 0.0235 0.0235 0.1082 0.1082 0.1375 0.1375 0.1977 0.1977 6.9175 6.9175 k = 0.0390 0.0395 0.7352 ( 4760 PWs) bands (ev): -13.3290 -13.3290 -13.2500 -13.2500 -12.4826 -12.4826 -11.7043 -11.7043 -7.6556 -7.6556 -7.5548 -7.5548 -6.9977 -6.9977 -6.9450 -6.9450 -6.7623 -6.7623 -3.0154 -3.0154 -2.3003 -2.3003 -2.2300 -2.2300 -1.1871 -1.1871 -0.7722 -0.7722 -0.6815 -0.6815 -0.5350 -0.5350 -0.2655 -0.2655 0.0203 0.0203 0.1045 0.1045 0.1318 0.1318 0.1900 0.1900 6.9257 6.9257 k = 0.0260 0.0263 0.7352 ( 4760 PWs) bands (ev): -13.3293 -13.3293 -13.2498 -13.2498 -12.4829 -12.4829 -11.7039 -11.7039 -7.6557 -7.6557 -7.5548 -7.5548 -6.9978 -6.9978 -6.9453 -6.9453 -6.7622 -6.7622 -3.0115 -3.0115 -2.2977 -2.2977 -2.2309 -2.2309 -1.1820 -1.1820 -0.7725 -0.7725 -0.6684 -0.6684 -0.5355 -0.5355 -0.2803 -0.2803 0.0180 0.0180 0.1018 0.1018 0.1277 0.1277 0.1843 0.1843 6.9316 6.9316 k = 0.0130 0.0132 0.7352 ( 4756 PWs) bands (ev): -13.3294 -13.3294 -13.2496 -13.2496 -12.4830 -12.4830 -11.7037 -11.7037 -7.6558 -7.6558 -7.5548 -7.5548 -6.9978 -6.9978 -6.9455 -6.9455 -6.7621 -6.7621 -3.0092 -3.0092 -2.2962 -2.2962 -2.2315 -2.2315 -1.1790 -1.1790 -0.7729 -0.7729 -0.6597 -0.6597 -0.5359 -0.5359 -0.2899 -0.2899 0.0166 0.0166 0.1003 0.1003 0.1252 0.1252 0.1809 0.1809 6.9352 6.9352 k = 0.0000 0.0000 0.7352 ( 4756 PWs) bands (ev): -13.3295 -13.3295 -13.2496 -13.2496 -12.4831 -12.4831 -11.7037 -11.7037 -7.6558 -7.6558 -7.5548 -7.5548 -6.9979 -6.9979 -6.9456 -6.9456 -6.7621 -6.7621 -3.0084 -3.0084 -2.2957 -2.2957 -2.2316 -2.2316 -1.1779 -1.1779 -0.7730 -0.7730 -0.6566 -0.6566 -0.5360 -0.5360 -0.2932 -0.2932 0.0161 0.0161 0.0997 0.0997 0.1244 0.1244 0.1797 0.1797 6.9364 6.9364 k = 0.0000 0.0000 0.7352 ( 4756 PWs) bands (ev): -13.3295 -13.3295 -13.2496 -13.2496 -12.4831 -12.4831 -11.7037 -11.7037 -7.6558 -7.6558 -7.5548 -7.5548 -6.9979 -6.9979 -6.9456 -6.9456 -6.7621 -6.7621 -3.0084 -3.0084 -2.2957 -2.2957 -2.2316 -2.2316 -1.1779 -1.1779 -0.7730 -0.7730 -0.6566 -0.6566 -0.5360 -0.5360 -0.2932 -0.2932 0.0161 0.0161 0.0997 0.0997 0.1244 0.1244 0.1797 0.1797 6.9364 6.9364 k = 0.0000 0.0000 0.7169 ( 4760 PWs) bands (ev): -13.3300 -13.3300 -13.2496 -13.2496 -12.4830 -12.4830 -11.7038 -11.7038 -7.6557 -7.6557 -7.5550 -7.5550 -6.9979 -6.9979 -6.9454 -6.9454 -6.7625 -6.7625 -3.0084 -3.0084 -2.2939 -2.2939 -2.2314 -2.2314 -1.1788 -1.1788 -0.7759 -0.7759 -0.6580 -0.6580 -0.5328 -0.5328 -0.2923 -0.2923 0.0176 0.0176 0.1008 0.1008 0.1250 0.1250 0.1803 0.1803 6.9343 6.9343 k = 0.0000 0.0000 0.6985 ( 4770 PWs) bands (ev): -13.3314 -13.3314 -13.2496 -13.2496 -12.4825 -12.4825 -11.7040 -11.7040 -7.6554 -7.6554 -7.5555 -7.5555 -6.9981 -6.9981 -6.9450 -6.9450 -6.7639 -6.7639 -3.0084 -3.0084 -2.2885 -2.2885 -2.2307 -2.2307 -1.1813 -1.1813 -0.7841 -0.7841 -0.6621 -0.6621 -0.5240 -0.5240 -0.2898 -0.2898 0.0218 0.0218 0.1039 0.1039 0.1271 0.1271 0.1820 0.1820 6.9281 6.9281 k = 0.0000 0.0000 0.6801 ( 4764 PWs) bands (ev): -13.3338 -13.3338 -13.2496 -13.2496 -12.4818 -12.4818 -11.7045 -11.7045 -7.6548 -7.6548 -7.5564 -7.5564 -6.9984 -6.9984 -6.9441 -6.9441 -6.7659 -6.7659 -3.0085 -3.0085 -2.2796 -2.2796 -2.2295 -2.2295 -1.1856 -1.1856 -0.7970 -0.7970 -0.6682 -0.6682 -0.5106 -0.5106 -0.2855 -0.2855 0.0289 0.0289 0.1090 0.1090 0.1305 0.1305 0.1849 0.1849 6.9177 6.9177 k = 0.0000 0.0000 0.6617 ( 4764 PWs) bands (ev): -13.3372 -13.3372 -13.2496 -13.2496 -12.4807 -12.4807 -11.7051 -11.7051 -7.6539 -7.6539 -7.5576 -7.5576 -6.9988 -6.9988 -6.9428 -6.9428 -6.7689 -6.7689 -3.0087 -3.0087 -2.2673 -2.2673 -2.2275 -2.2275 -1.1914 -1.1914 -0.8133 -0.8133 -0.6760 -0.6760 -0.4942 -0.4942 -0.2795 -0.2795 0.0386 0.0386 0.1160 0.1160 0.1353 0.1353 0.1888 0.1888 6.9032 6.9032 k = 0.0000 0.0000 0.6433 ( 4762 PWs) bands (ev): -13.3414 -13.3414 -13.2496 -13.2496 -12.4795 -12.4795 -11.7059 -11.7059 -7.6529 -7.6529 -7.5592 -7.5592 -6.9995 -6.9995 -6.9411 -6.9411 -6.7726 -6.7726 -3.0090 -3.0090 -2.2522 -2.2522 -2.2242 -2.2242 -1.1988 -1.1988 -0.8324 -0.8324 -0.6852 -0.6852 -0.4757 -0.4757 -0.2718 -0.2718 0.0509 0.0509 0.1249 0.1249 0.1415 0.1415 0.1936 0.1936 6.8843 6.8843 k = 0.0000 0.0000 0.6250 ( 4766 PWs) bands (ev): -13.3466 -13.3466 -13.2495 -13.2495 -12.4779 -12.4779 -11.7068 -11.7068 -7.6517 -7.6517 -7.5611 -7.5611 -7.0003 -7.0003 -6.9390 -6.9390 -6.7770 -6.7770 -3.0094 -3.0094 -2.2362 -2.2362 -2.2176 -2.2176 -1.2075 -1.2075 -0.8533 -0.8533 -0.6957 -0.6957 -0.4558 -0.4558 -0.2625 -0.2625 0.0654 0.0654 0.1355 0.1355 0.1491 0.1491 0.1994 0.1994 6.8611 6.8611 k = 0.0000 0.0000 0.6066 ( 4758 PWs) bands (ev): -13.3525 -13.3525 -13.2495 -13.2495 -12.4762 -12.4762 -11.7079 -11.7079 -7.6503 -7.6503 -7.5633 -7.5633 -7.0014 -7.0014 -6.9363 -6.9363 -6.7822 -6.7822 -3.0102 -3.0102 -2.2251 -2.2251 -2.2020 -2.2020 -1.2175 -1.2175 -0.8755 -0.8755 -0.7074 -0.7074 -0.4350 -0.4350 -0.2516 -0.2516 0.0819 0.0819 0.1476 0.1476 0.1583 0.1583 0.2059 0.2059 6.8335 6.8335 k = 0.0000 0.0000 0.5882 ( 4758 PWs) bands (ev): -13.3592 -13.3592 -13.2495 -13.2495 -12.4742 -12.4742 -11.7092 -11.7092 -7.6487 -7.6487 -7.5659 -7.5659 -7.0027 -7.0027 -6.9332 -6.9332 -6.7880 -6.7880 -3.0113 -3.0113 -2.2180 -2.2180 -2.1782 -2.1782 -1.2287 -1.2287 -0.8986 -0.8986 -0.7201 -0.7201 -0.4137 -0.4137 -0.2391 -0.2391 0.1001 0.1001 0.1609 0.1609 0.1693 0.1693 0.2131 0.2131 6.8015 6.8015 k = 0.0000 0.0000 0.5698 ( 4756 PWs) bands (ev): -13.3666 -13.3666 -13.2495 -13.2495 -12.4721 -12.4721 -11.7106 -11.7106 -7.6469 -7.6469 -7.5688 -7.5688 -7.0042 -7.0042 -6.9295 -6.9295 -6.7945 -6.7945 -3.0127 -3.0127 -2.2112 -2.2112 -2.1500 -2.1500 -1.2409 -1.2409 -0.9223 -0.9223 -0.7337 -0.7337 -0.3921 -0.3921 -0.2250 -0.2250 0.1194 0.1194 0.1747 0.1747 0.1828 0.1828 0.2208 0.2208 6.7652 6.7652 k = 0.0000 0.0000 0.5514 ( 4752 PWs) bands (ev): -13.3746 -13.3746 -13.2494 -13.2494 -12.4699 -12.4699 -11.7121 -11.7121 -7.6450 -7.6450 -7.5721 -7.5721 -7.0060 -7.0060 -6.9254 -6.9254 -6.8015 -6.8015 -3.0147 -3.0147 -2.2034 -2.2034 -2.1186 -2.1186 -1.2540 -1.2540 -0.9464 -0.9464 -0.7480 -0.7480 -0.3704 -0.3704 -0.2095 -0.2095 0.1393 0.1393 0.1889 0.1889 0.1989 0.1989 0.2291 0.2291 6.7246 6.7246 k = 0.0000 0.0000 0.5331 ( 4756 PWs) bands (ev): -13.3832 -13.3832 -13.2494 -13.2494 -12.4675 -12.4675 -11.7137 -11.7137 -7.6430 -7.6430 -7.5757 -7.5757 -7.0080 -7.0080 -6.9208 -6.9208 -6.8090 -6.8090 -3.0171 -3.0171 -2.1943 -2.1943 -2.0846 -2.0846 -1.2679 -1.2679 -0.9707 -0.9707 -0.7628 -0.7628 -0.3487 -0.3487 -0.1925 -0.1925 0.1591 0.1591 0.2042 0.2042 0.2170 0.2170 0.2380 0.2380 6.6799 6.6799 k = 0.0000 0.0000 0.5147 ( 4760 PWs) bands (ev): -13.3923 -13.3923 -13.2494 -13.2494 -12.4650 -12.4650 -11.7155 -11.7155 -7.6409 -7.6409 -7.5796 -7.5796 -7.0101 -7.0101 -6.9159 -6.9159 -6.8169 -6.8169 -3.0202 -3.0202 -2.1837 -2.1837 -2.0481 -2.0481 -1.2823 -1.2823 -0.9950 -0.9950 -0.7779 -0.7779 -0.3270 -0.3270 -0.1742 -0.1742 0.1783 0.1783 0.2207 0.2207 0.2362 0.2362 0.2483 0.2483 6.6312 6.6312 k = 0.0000 0.0000 0.4963 ( 4760 PWs) bands (ev): -13.4019 -13.4019 -13.2493 -13.2493 -12.4625 -12.4625 -11.7174 -11.7174 -7.6388 -7.6388 -7.5838 -7.5838 -7.0124 -7.0124 -6.9106 -6.9106 -6.8252 -6.8252 -3.0237 -3.0237 -2.1715 -2.1715 -2.0097 -2.0097 -1.2972 -1.2972 -1.0192 -1.0192 -0.7931 -0.7931 -0.3055 -0.3055 -0.1545 -0.1545 0.1964 0.1964 0.2385 0.2385 0.2515 0.2515 0.2648 0.2648 6.5787 6.5787 k = 0.0000 0.0000 0.4779 ( 4772 PWs) bands (ev): -13.4118 -13.4118 -13.2493 -13.2493 -12.4600 -12.4600 -11.7193 -11.7193 -7.6365 -7.6365 -7.5884 -7.5884 -7.0148 -7.0148 -6.9050 -6.9050 -6.8338 -6.8338 -3.0279 -3.0279 -2.1576 -2.1576 -1.9694 -1.9694 -1.3124 -1.3124 -1.0433 -1.0433 -0.8082 -0.8082 -0.2843 -0.2843 -0.1337 -0.1337 0.2136 0.2136 0.2565 0.2565 0.2625 0.2625 0.2881 0.2881 6.5229 6.5229 k = 0.0000 0.0000 0.4595 ( 4772 PWs) bands (ev): -13.4220 -13.4220 -13.2493 -13.2493 -12.4574 -12.4574 -11.7213 -11.7213 -7.6342 -7.6342 -7.5931 -7.5931 -7.0172 -7.0172 -6.8992 -6.8992 -6.8424 -6.8424 -3.0327 -3.0327 -2.1420 -2.1420 -1.9278 -1.9278 -1.3279 -1.3279 -1.0671 -1.0671 -0.8228 -0.8228 -0.2633 -0.2633 -0.1118 -0.1118 0.2302 0.2302 0.2696 0.2696 0.2780 0.2780 0.3138 0.3138 6.4639 6.4639 k = 0.0000 0.0000 0.4411 ( 4762 PWs) bands (ev): -13.4324 -13.4324 -13.2492 -13.2492 -12.4549 -12.4549 -11.7234 -11.7234 -7.6319 -7.6319 -7.5980 -7.5980 -7.0197 -7.0197 -6.8934 -6.8934 -6.8508 -6.8508 -3.0381 -3.0381 -2.1247 -2.1247 -1.8851 -1.8851 -1.3434 -1.3434 -1.0905 -1.0905 -0.8369 -0.8369 -0.2427 -0.2427 -0.0889 -0.0889 0.2463 0.2463 0.2791 0.2791 0.2972 0.2972 0.3408 0.3408 6.4023 6.4023 k = 0.0000 0.0000 0.4228 ( 4776 PWs) bands (ev): -13.4430 -13.4430 -13.2492 -13.2492 -12.4524 -12.4524 -11.7256 -11.7256 -7.6296 -7.6296 -7.6032 -7.6032 -7.0222 -7.0222 -6.8882 -6.8882 -6.8588 -6.8588 -3.0439 -3.0439 -2.1057 -2.1057 -1.8419 -1.8419 -1.3590 -1.3590 -1.1134 -1.1134 -0.8499 -0.8499 -0.2224 -0.2224 -0.0650 -0.0650 0.2620 0.2620 0.2880 0.2880 0.3168 0.3168 0.3683 0.3683 6.3383 6.3383 k = 0.0000 0.0000 0.4044 ( 4780 PWs) bands (ev): -13.4536 -13.4536 -13.2492 -13.2492 -12.4499 -12.4499 -11.7278 -11.7278 -7.6273 -7.6273 -7.6085 -7.6085 -7.0247 -7.0247 -6.8851 -6.8851 -6.8646 -6.8646 -3.0502 -3.0502 -2.0852 -2.0852 -1.7985 -1.7985 -1.3744 -1.3744 -1.1359 -1.1359 -0.8618 -0.8618 -0.2026 -0.2026 -0.0404 -0.0404 0.2773 0.2773 0.2969 0.2969 0.3365 0.3365 0.3962 0.3962 6.2724 6.2724 k = 0.0000 0.0000 0.3860 ( 4788 PWs) bands (ev): -13.4643 -13.4643 -13.2491 -13.2491 -12.4475 -12.4475 -11.7300 -11.7300 -7.6251 -7.6251 -7.6140 -7.6140 -7.0271 -7.0271 -6.8873 -6.8873 -6.8649 -6.8649 -3.0570 -3.0570 -2.0631 -2.0631 -1.7554 -1.7554 -1.3897 -1.3897 -1.1578 -1.1578 -0.8720 -0.8720 -0.1833 -0.1833 -0.0150 -0.0150 0.2917 0.2917 0.3064 0.3064 0.3559 0.3559 0.4238 0.4238 6.2050 6.2050 k = 0.0000 0.0000 0.3676 ( 4788 PWs) bands (ev): -13.4750 -13.4750 -13.2491 -13.2491 -12.4452 -12.4452 -11.7322 -11.7322 -7.6230 -7.6230 -7.6195 -7.6195 -7.0295 -7.0295 -6.8939 -6.8939 -6.8606 -6.8606 -3.0640 -3.0640 -2.0398 -2.0398 -1.7132 -1.7132 -1.4046 -1.4046 -1.1791 -1.1791 -0.8803 -0.8803 -0.1646 -0.1646 0.0109 0.0109 0.3040 0.3040 0.3176 0.3176 0.3752 0.3752 0.4511 0.4511 6.1367 6.1367 k = 0.0000 0.0000 0.3492 ( 4788 PWs) bands (ev): -13.4855 -13.4855 -13.2491 -13.2491 -12.4429 -12.4429 -11.7344 -11.7344 -7.6254 -7.6254 -7.6205 -7.6205 -7.0318 -7.0318 -6.9019 -6.9019 -6.8547 -6.8547 -3.0713 -3.0713 -2.0154 -2.0154 -1.6725 -1.6725 -1.4191 -1.4191 -1.1996 -1.1996 -0.8863 -0.8863 -0.1464 -0.1464 0.0373 0.0373 0.3137 0.3137 0.3310 0.3310 0.3940 0.3940 0.4776 0.4776 6.0678 6.0678 k = 0.0000 0.0000 0.3309 ( 4792 PWs) bands (ev): -13.4958 -13.4958 -13.2491 -13.2491 -12.4408 -12.4408 -11.7366 -11.7366 -7.6309 -7.6309 -7.6185 -7.6185 -7.0341 -7.0341 -6.9103 -6.9103 -6.8484 -6.8484 -3.0787 -3.0787 -1.9899 -1.9899 -1.6340 -1.6340 -1.4330 -1.4330 -1.2194 -1.2194 -0.8895 -0.8895 -0.1289 -0.1289 0.0640 0.0640 0.3216 0.3216 0.3455 0.3455 0.4124 0.4124 0.5032 0.5032 5.9987 5.9987 k = 0.0000 0.0000 0.3125 ( 4788 PWs) bands (ev): -13.5059 -13.5059 -13.2490 -13.2490 -12.4387 -12.4387 -11.7388 -11.7388 -7.6365 -7.6365 -7.6165 -7.6165 -7.0362 -7.0362 -6.9186 -6.9186 -6.8419 -6.8419 -3.0862 -3.0862 -1.9638 -1.9638 -1.5984 -1.5984 -1.4463 -1.4463 -1.2384 -1.2384 -0.8896 -0.8896 -0.1121 -0.1121 0.0909 0.0909 0.3287 0.3287 0.3604 0.3604 0.4302 0.4302 0.5276 0.5276 5.9301 5.9301 k = 0.0000 0.0000 0.2941 ( 4784 PWs) bands (ev): -13.5158 -13.5158 -13.2490 -13.2490 -12.4368 -12.4368 -11.7409 -11.7409 -7.6420 -7.6420 -7.6146 -7.6146 -7.0383 -7.0383 -6.9267 -6.9267 -6.8354 -6.8354 -3.0937 -3.0937 -1.9371 -1.9371 -1.5664 -1.5664 -1.4585 -1.4585 -1.2566 -1.2566 -0.8863 -0.8863 -0.0960 -0.0960 0.1179 0.1179 0.3351 0.3351 0.3753 0.3753 0.4475 0.4475 0.5508 0.5508 5.8623 5.8623 k = 0.0000 0.0000 0.2757 ( 4784 PWs) bands (ev): -13.5253 -13.5253 -13.2490 -13.2490 -12.4350 -12.4350 -11.7430 -11.7430 -7.6474 -7.6474 -7.6127 -7.6127 -7.0404 -7.0404 -6.9346 -6.9346 -6.8291 -6.8291 -3.1012 -3.1012 -1.9102 -1.9102 -1.5393 -1.5393 -1.4690 -1.4690 -1.2738 -1.2738 -0.8794 -0.8794 -0.0807 -0.0807 0.1448 0.1448 0.3410 0.3410 0.3899 0.3899 0.4640 0.4640 0.5724 0.5724 5.7959 5.7959 k = 0.0000 0.0000 0.2573 ( 4780 PWs) bands (ev): -13.5344 -13.5344 -13.2490 -13.2490 -12.4333 -12.4333 -11.7450 -11.7450 -7.6527 -7.6527 -7.6110 -7.6110 -7.0423 -7.0423 -6.9420 -6.9420 -6.8229 -6.8229 -3.1085 -3.1085 -1.8833 -1.8833 -1.5197 -1.5197 -1.4752 -1.4752 -1.2901 -1.2901 -0.8689 -0.8689 -0.0662 -0.0662 0.1713 0.1713 0.3464 0.3464 0.4041 0.4041 0.4797 0.4797 0.5924 0.5924 5.7311 5.7311 k = 0.0000 0.0000 0.2390 ( 4772 PWs) bands (ev): -13.5431 -13.5431 -13.2489 -13.2489 -12.4317 -12.4317 -11.7469 -11.7469 -7.6578 -7.6578 -7.6093 -7.6093 -7.0442 -7.0442 -6.9490 -6.9490 -6.8170 -6.8170 -3.1155 -3.1155 -1.8566 -1.8566 -1.5132 -1.5132 -1.4719 -1.4719 -1.3054 -1.3054 -0.8548 -0.8548 -0.0525 -0.0525 0.1975 0.1975 0.3514 0.3514 0.4179 0.4179 0.4946 0.4946 0.6107 0.6107 5.6686 5.6686 k = 0.0000 0.0000 0.2206 ( 4768 PWs) bands (ev): -13.5513 -13.5513 -13.2489 -13.2489 -12.4302 -12.4302 -11.7487 -11.7487 -7.6627 -7.6627 -7.6078 -7.6078 -7.0461 -7.0461 -6.9555 -6.9555 -6.8113 -6.8113 -3.1223 -3.1223 -1.8305 -1.8305 -1.5175 -1.5175 -1.4610 -1.4610 -1.3197 -1.3197 -0.8376 -0.8376 -0.0398 -0.0398 0.2231 0.2231 0.3560 0.3560 0.4311 0.4311 0.5086 0.5086 0.6273 0.6273 5.6087 5.6087 k = 0.0000 0.0000 0.2022 ( 4768 PWs) bands (ev): -13.5590 -13.5590 -13.2489 -13.2489 -12.4289 -12.4289 -11.7504 -11.7504 -7.6673 -7.6673 -7.6064 -7.6064 -7.0479 -7.0479 -6.9616 -6.9616 -6.8060 -6.8060 -3.1287 -3.1287 -1.8053 -1.8053 -1.5251 -1.5251 -1.4497 -1.4497 -1.3328 -1.3328 -0.8180 -0.8180 -0.0279 -0.0279 0.2478 0.2478 0.3602 0.3602 0.4435 0.4435 0.5217 0.5217 0.6419 0.6419 5.5518 5.5518 k = 0.0000 0.0000 0.1838 ( 4768 PWs) bands (ev): -13.5662 -13.5662 -13.2489 -13.2489 -12.4277 -12.4277 -11.7521 -11.7521 -7.6717 -7.6717 -7.6052 -7.6052 -7.0496 -7.0496 -6.9671 -6.9671 -6.8010 -6.8010 -3.1348 -3.1348 -1.7811 -1.7811 -1.5332 -1.5332 -1.4405 -1.4405 -1.3448 -1.3448 -0.7966 -0.7966 -0.0170 -0.0170 0.2716 0.2716 0.3642 0.3642 0.4553 0.4553 0.5338 0.5338 0.6547 0.6547 5.4984 5.4984 k = 0.0000 0.0000 0.1654 ( 4778 PWs) bands (ev): -13.5728 -13.5728 -13.2489 -13.2489 -12.4266 -12.4266 -11.7535 -11.7535 -7.6758 -7.6758 -7.6041 -7.6041 -7.0514 -7.0514 -6.9721 -6.9721 -6.7965 -6.7965 -3.1404 -3.1404 -1.7584 -1.7584 -1.5410 -1.5410 -1.4335 -1.4335 -1.3557 -1.3557 -0.7744 -0.7744 -0.0071 -0.0071 0.2940 0.2940 0.3678 0.3678 0.4662 0.4662 0.5448 0.5448 0.6657 0.6657 5.4488 5.4488 k = 0.0000 0.0000 0.1470 ( 4774 PWs) bands (ev): -13.5787 -13.5787 -13.2489 -13.2489 -12.4256 -12.4256 -11.7549 -11.7549 -7.6795 -7.6795 -7.6030 -7.6030 -7.0529 -7.0529 -6.9765 -6.9765 -6.7923 -6.7923 -3.1455 -3.1455 -1.7373 -1.7373 -1.5482 -1.5482 -1.4286 -1.4286 -1.3653 -1.3653 -0.7520 -0.7520 0.0018 0.0018 0.3148 0.3148 0.3714 0.3714 0.4762 0.4762 0.5548 0.5548 0.6749 0.6749 5.4034 5.4034 k = 0.0000 0.0000 0.1287 ( 4776 PWs) bands (ev): -13.5841 -13.5841 -13.2489 -13.2489 -12.4248 -12.4248 -11.7561 -11.7561 -7.6828 -7.6828 -7.6021 -7.6021 -7.0544 -7.0544 -6.9803 -6.9803 -6.7885 -6.7885 -3.1501 -3.1501 -1.7180 -1.7180 -1.5548 -1.5548 -1.4253 -1.4253 -1.3736 -1.3736 -0.7303 -0.7303 0.0097 0.0097 0.3334 0.3334 0.3751 0.3751 0.4853 0.4853 0.5637 0.5637 0.6825 0.6825 5.3625 5.3625 k = 0.0000 0.0000 0.1103 ( 4777 PWs) bands (ev): -13.5887 -13.5887 -13.2489 -13.2489 -12.4241 -12.4241 -11.7572 -11.7572 -7.6857 -7.6857 -7.6013 -7.6013 -7.0558 -7.0558 -6.9837 -6.9837 -6.7853 -6.7853 -3.1541 -3.1541 -1.7009 -1.7009 -1.5605 -1.5605 -1.4234 -1.4234 -1.3806 -1.3806 -0.7100 -0.7100 0.0166 0.0166 0.3490 0.3490 0.3796 0.3796 0.4932 0.4932 0.5714 0.5714 0.6884 0.6884 5.3264 5.3264 k = 0.0000 0.0000 0.0919 ( 4769 PWs) bands (ev): -13.5927 -13.5927 -13.2488 -13.2488 -12.4234 -12.4234 -11.7581 -11.7581 -7.6882 -7.6882 -7.6006 -7.6006 -7.0570 -7.0570 -6.9863 -6.9863 -6.7825 -6.7825 -3.1576 -3.1576 -1.6861 -1.6861 -1.5655 -1.5655 -1.4226 -1.4226 -1.3863 -1.3863 -0.6917 -0.6917 0.0224 0.0224 0.3604 0.3604 0.3859 0.3859 0.5001 0.5001 0.5780 0.5780 0.6930 0.6930 5.2954 5.2954 k = 0.0000 0.0000 0.0735 ( 4765 PWs) bands (ev): -13.5960 -13.5960 -13.2488 -13.2488 -12.4229 -12.4229 -11.7588 -11.7588 -7.6903 -7.6903 -7.6001 -7.6001 -7.0580 -7.0580 -6.9884 -6.9884 -6.7802 -6.7802 -3.1605 -3.1605 -1.6738 -1.6738 -1.5695 -1.5695 -1.4224 -1.4224 -1.3907 -1.3907 -0.6761 -0.6761 0.0272 0.0272 0.3671 0.3671 0.3942 0.3942 0.5058 0.5058 0.5833 0.5833 0.6964 0.6964 5.2697 5.2697 k = 0.0000 0.0000 0.0551 ( 4761 PWs) bands (ev): -13.5986 -13.5986 -13.2488 -13.2488 -12.4225 -12.4225 -11.7594 -11.7594 -7.6919 -7.6919 -7.5996 -7.5996 -7.0589 -7.0589 -6.9901 -6.9901 -6.7783 -6.7783 -3.1627 -3.1627 -1.6641 -1.6641 -1.5728 -1.5728 -1.4227 -1.4227 -1.3939 -1.3939 -0.6634 -0.6634 0.0309 0.0309 0.3707 0.3707 0.4026 0.4026 0.5103 0.5103 0.5875 0.5875 0.6988 0.6988 5.2495 5.2495 k = 0.0000 0.0000 0.0368 ( 4753 PWs) bands (ev): -13.6004 -13.6004 -13.2488 -13.2488 -12.4223 -12.4223 -11.7599 -11.7599 -7.6930 -7.6930 -7.5993 -7.5993 -7.0594 -7.0594 -6.9912 -6.9912 -6.7770 -6.7770 -3.1643 -3.1643 -1.6570 -1.6570 -1.5751 -1.5751 -1.4231 -1.4231 -1.3960 -1.3960 -0.6542 -0.6542 0.0336 0.0336 0.3727 0.3727 0.4094 0.4094 0.5135 0.5135 0.5905 0.5905 0.7003 0.7003 5.2350 5.2350 k = 0.0000 0.0000 0.0184 ( 4761 PWs) bands (ev): -13.6015 -13.6015 -13.2488 -13.2488 -12.4221 -12.4221 -11.7601 -11.7601 -7.6938 -7.6938 -7.5991 -7.5991 -7.0598 -7.0598 -6.9920 -6.9920 -6.7762 -6.7762 -3.1653 -3.1653 -1.6528 -1.6528 -1.5765 -1.5765 -1.4235 -1.4235 -1.3973 -1.3973 -0.6485 -0.6485 0.0352 0.0352 0.3737 0.3737 0.4137 0.4137 0.5154 0.5154 0.5923 0.5923 0.7011 0.7011 5.2262 5.2262 k = 0.0000 0.0000 0.0000 ( 4757 PWs) bands (ev): -13.6019 -13.6019 -13.2488 -13.2488 -12.4221 -12.4221 -11.7602 -11.7602 -7.6940 -7.6940 -7.5990 -7.5990 -7.0599 -7.0599 -6.9923 -6.9923 -6.7760 -6.7760 -3.1656 -3.1656 -1.6514 -1.6514 -1.5769 -1.5769 -1.4236 -1.4236 -1.3976 -1.3976 -0.6466 -0.6466 0.0357 0.0357 0.3740 0.3740 0.4152 0.4152 0.5160 0.5160 0.5929 0.5929 0.7014 0.7014 5.2233 5.2233 k = 0.0000 0.0000 0.0000 ( 4757 PWs) bands (ev): -13.6019 -13.6019 -13.2488 -13.2488 -12.4221 -12.4221 -11.7602 -11.7602 -7.6940 -7.6940 -7.5990 -7.5990 -7.0599 -7.0599 -6.9923 -6.9923 -6.7760 -6.7760 -3.1656 -3.1656 -1.6514 -1.6514 -1.5769 -1.5769 -1.4236 -1.4236 -1.3976 -1.3976 -0.6466 -0.6466 0.0357 0.0357 0.3740 0.3740 0.4152 0.4152 0.5160 0.5160 0.5929 0.5929 0.7014 0.7014 5.2233 5.2233 k =-0.0132 0.0130 0.0000 ( 4761 PWs) bands (ev): -13.6017 -13.6017 -13.2489 -13.2489 -12.4221 -12.4221 -11.7603 -11.7603 -7.6940 -7.6940 -7.5990 -7.5990 -7.0599 -7.0599 -6.9923 -6.9923 -6.7760 -6.7760 -3.1649 -3.1649 -1.6511 -1.6511 -1.5760 -1.5760 -1.4234 -1.4234 -1.3977 -1.3977 -0.6467 -0.6467 0.0339 0.0339 0.3733 0.3733 0.4147 0.4147 0.5160 0.5160 0.5926 0.5926 0.7006 0.7006 5.2261 5.2261 k =-0.0263 0.0260 0.0000 ( 4761 PWs) bands (ev): -13.6011 -13.6011 -13.2492 -13.2492 -12.4224 -12.4224 -11.7606 -11.7606 -7.6940 -7.6940 -7.5990 -7.5990 -7.0599 -7.0599 -6.9923 -6.9923 -6.7761 -6.7761 -3.1627 -3.1627 -1.6502 -1.6502 -1.5731 -1.5731 -1.4229 -1.4229 -1.3978 -1.3978 -0.6470 -0.6470 0.0284 0.0284 0.3713 0.3713 0.4133 0.4133 0.5161 0.5161 0.5918 0.5918 0.6984 0.6984 5.2347 5.2347 k =-0.0395 0.0389 0.0000 ( 4765 PWs) bands (ev): -13.6001 -13.6001 -13.2496 -13.2496 -12.4228 -12.4228 -11.7612 -11.7612 -7.6940 -7.6940 -7.5990 -7.5990 -7.0599 -7.0599 -6.9925 -6.9925 -6.7762 -6.7762 -3.1591 -3.1591 -1.6488 -1.6488 -1.5684 -1.5684 -1.4223 -1.4223 -1.3978 -1.3978 -0.6474 -0.6474 0.0192 0.0192 0.3679 0.3679 0.4110 0.4110 0.5160 0.5160 0.5905 0.5905 0.6946 0.6946 5.2490 5.2490 k =-0.0526 0.0519 0.0000 ( 4773 PWs) bands (ev): -13.5988 -13.5988 -13.2502 -13.2502 -12.4234 -12.4234 -11.7619 -11.7619 -7.6941 -7.6941 -7.5991 -7.5991 -7.0599 -7.0599 -6.9926 -6.9926 -6.7764 -6.7764 -3.1541 -3.1541 -1.6468 -1.6468 -1.5619 -1.5619 -1.4217 -1.4217 -1.3974 -1.3974 -0.6480 -0.6480 0.0066 0.0066 0.3631 0.3631 0.4078 0.4078 0.5160 0.5160 0.5887 0.5887 0.6894 0.6894 5.2686 5.2686 k =-0.0658 0.0649 0.0000 ( 4771 PWs) bands (ev): -13.5970 -13.5970 -13.2510 -13.2510 -12.4242 -12.4242 -11.7629 -11.7629 -7.6941 -7.6941 -7.5991 -7.5991 -7.0598 -7.0598 -6.9928 -6.9928 -6.7766 -6.7766 -3.1476 -3.1476 -1.6442 -1.6442 -1.5535 -1.5535 -1.4215 -1.4215 -1.3963 -1.3963 -0.6488 -0.6488 -0.0093 -0.0093 0.3570 0.3570 0.4038 0.4038 0.5159 0.5159 0.5864 0.5864 0.6827 0.6827 5.2936 5.2936 k =-0.0789 0.0779 0.0000 ( 4783 PWs) bands (ev): -13.5949 -13.5949 -13.2519 -13.2519 -12.4251 -12.4251 -11.7640 -11.7640 -7.6941 -7.6941 -7.5991 -7.5991 -7.0598 -7.0598 -6.9930 -6.9930 -6.7770 -6.7770 -3.1398 -3.1398 -1.6411 -1.6411 -1.5432 -1.5432 -1.4221 -1.4221 -1.3941 -1.3941 -0.6497 -0.6497 -0.0283 -0.0283 0.3494 0.3494 0.3991 0.3991 0.5157 0.5157 0.5836 0.5836 0.6744 0.6744 5.3235 5.3235 k =-0.0921 0.0909 0.0000 ( 4787 PWs) bands (ev): -13.5925 -13.5925 -13.2530 -13.2530 -12.4262 -12.4262 -11.7653 -11.7653 -7.6942 -7.6942 -7.5992 -7.5992 -7.0597 -7.0597 -6.9933 -6.9933 -6.7774 -6.7774 -3.1307 -3.1307 -1.6375 -1.6375 -1.5312 -1.5312 -1.4234 -1.4234 -1.3907 -1.3907 -0.6508 -0.6508 -0.0502 -0.0502 0.3404 0.3404 0.3937 0.3937 0.5153 0.5153 0.5804 0.5804 0.6646 0.6646 5.3582 5.3582 k =-0.1053 0.1039 0.0000 ( 4783 PWs) bands (ev): -13.5897 -13.5897 -13.2542 -13.2542 -12.4274 -12.4274 -11.7668 -11.7668 -7.6942 -7.6942 -7.5991 -7.5991 -7.0596 -7.0596 -6.9936 -6.9936 -6.7778 -6.7778 -3.1203 -3.1203 -1.6334 -1.6334 -1.5174 -1.5174 -1.4253 -1.4253 -1.3862 -1.3862 -0.6521 -0.6521 -0.0746 -0.0746 0.3300 0.3300 0.3878 0.3878 0.5147 0.5147 0.5769 0.5769 0.6535 0.6535 5.3972 5.3972 k =-0.1184 0.1168 0.0000 ( 4785 PWs) bands (ev): -13.5866 -13.5866 -13.2556 -13.2556 -12.4288 -12.4288 -11.7684 -11.7684 -7.6942 -7.6942 -7.5992 -7.5992 -7.0595 -7.0595 -6.9939 -6.9939 -6.7784 -6.7784 -3.1086 -3.1086 -1.6288 -1.6288 -1.5019 -1.5019 -1.4277 -1.4277 -1.3806 -1.3806 -0.6534 -0.6534 -0.1013 -0.1013 0.3182 0.3182 0.3814 0.3814 0.5138 0.5138 0.5729 0.5729 0.6408 0.6408 5.4401 5.4401 k =-0.1316 0.1298 0.0000 ( 4775 PWs) bands (ev): -13.5832 -13.5832 -13.2571 -13.2571 -12.4303 -12.4303 -11.7701 -11.7701 -7.6942 -7.6942 -7.5992 -7.5992 -7.0593 -7.0593 -6.9943 -6.9943 -6.7791 -6.7791 -3.0958 -3.0958 -1.6237 -1.6237 -1.4848 -1.4848 -1.4304 -1.4304 -1.3742 -1.3742 -0.6549 -0.6549 -0.1299 -0.1299 0.3050 0.3050 0.3746 0.3746 0.5127 0.5127 0.5685 0.5685 0.6268 0.6268 5.4866 5.4866 k =-0.1447 0.1428 0.0000 ( 4769 PWs) bands (ev): -13.5796 -13.5796 -13.2587 -13.2587 -12.4319 -12.4319 -11.7719 -11.7719 -7.6942 -7.6942 -7.5992 -7.5992 -7.0591 -7.0591 -6.9947 -6.9947 -6.7798 -6.7798 -3.0819 -3.0819 -1.6183 -1.6183 -1.4660 -1.4660 -1.4332 -1.4332 -1.3669 -1.3669 -0.6566 -0.6566 -0.1601 -0.1601 0.2904 0.2904 0.3674 0.3674 0.5111 0.5111 0.5637 0.5637 0.6116 0.6116 5.5362 5.5362 k =-0.1579 0.1558 0.0000 ( 4775 PWs) bands (ev): -13.5757 -13.5757 -13.2604 -13.2604 -12.4337 -12.4337 -11.7738 -11.7738 -7.6943 -7.6943 -7.5993 -7.5993 -7.0590 -7.0590 -6.9951 -6.9951 -6.7807 -6.7807 -3.0670 -3.0670 -1.6125 -1.6125 -1.4458 -1.4458 -1.4360 -1.4360 -1.3590 -1.3590 -0.6583 -0.6583 -0.1915 -0.1915 0.2744 0.2744 0.3600 0.3600 0.5089 0.5089 0.5583 0.5583 0.5956 0.5956 5.5883 5.5883 k =-0.1711 0.1688 0.0000 ( 4769 PWs) bands (ev): -13.5716 -13.5716 -13.2622 -13.2622 -12.4356 -12.4356 -11.7758 -11.7758 -7.6943 -7.6943 -7.5994 -7.5994 -7.0588 -7.0588 -6.9956 -6.9956 -6.7817 -6.7817 -3.0512 -3.0512 -1.6063 -1.6063 -1.4387 -1.4387 -1.4240 -1.4240 -1.3504 -1.3504 -0.6601 -0.6601 -0.2238 -0.2238 0.2571 0.2571 0.3523 0.3523 0.5059 0.5059 0.5520 0.5520 0.5794 0.5794 5.6427 5.6427 k =-0.1842 0.1818 0.0000 ( 4769 PWs) bands (ev): -13.5673 -13.5673 -13.2641 -13.2641 -12.4375 -12.4375 -11.7778 -11.7778 -7.6944 -7.6944 -7.5995 -7.5995 -7.0587 -7.0587 -6.9961 -6.9961 -6.7829 -6.7829 -3.0346 -3.0346 -1.5999 -1.5999 -1.4411 -1.4411 -1.4011 -1.4011 -1.3411 -1.3411 -0.6620 -0.6620 -0.2567 -0.2567 0.2385 0.2385 0.3444 0.3444 0.5013 0.5013 0.5437 0.5437 0.5647 0.5647 5.6986 5.6986 k =-0.1974 0.1947 0.0000 ( 4767 PWs) bands (ev): -13.5628 -13.5628 -13.2661 -13.2661 -12.4396 -12.4396 -11.7799 -11.7799 -7.6944 -7.6944 -7.5997 -7.5997 -7.0585 -7.0585 -6.9967 -6.9967 -6.7842 -6.7842 -3.0172 -3.0172 -1.5932 -1.5932 -1.4432 -1.4432 -1.3770 -1.3770 -1.3310 -1.3310 -0.6639 -0.6639 -0.2897 -0.2897 0.2186 0.2186 0.3364 0.3364 0.4936 0.4936 0.5328 0.5328 0.5539 0.5539 5.7557 5.7557 k =-0.2105 0.2077 0.0000 ( 4761 PWs) bands (ev): -13.5582 -13.5582 -13.2681 -13.2681 -12.4417 -12.4417 -11.7819 -11.7819 -7.6945 -7.6945 -7.5998 -7.5998 -7.0583 -7.0583 -6.9974 -6.9974 -6.7856 -6.7856 -2.9993 -2.9993 -1.5864 -1.5864 -1.4449 -1.4449 -1.3526 -1.3526 -1.3196 -1.3196 -0.6659 -0.6659 -0.3224 -0.3224 0.1976 0.1976 0.3284 0.3284 0.4806 0.4806 0.5222 0.5222 0.5463 0.5463 5.8135 5.8135 k =-0.2237 0.2207 0.0000 ( 4771 PWs) bands (ev): -13.5535 -13.5535 -13.2701 -13.2701 -12.4439 -12.4439 -11.7840 -11.7840 -7.6947 -7.6947 -7.6001 -7.6001 -7.0582 -7.0582 -6.9981 -6.9981 -6.7871 -6.7871 -2.9809 -2.9809 -1.5794 -1.5794 -1.4461 -1.4461 -1.3297 -1.3297 -1.3052 -1.3052 -0.6680 -0.6680 -0.3546 -0.3546 0.1754 0.1754 0.3203 0.3203 0.4616 0.4616 0.5145 0.5145 0.5401 0.5401 5.8713 5.8713 k =-0.2368 0.2337 0.0000 ( 4785 PWs) bands (ev): -13.5487 -13.5487 -13.2722 -13.2722 -12.4461 -12.4461 -11.7860 -11.7860 -7.6948 -7.6948 -7.6004 -7.6004 -7.0582 -7.0582 -6.9989 -6.9989 -6.7888 -6.7888 -2.9622 -2.9622 -1.5723 -1.5723 -1.4470 -1.4470 -1.3118 -1.3118 -1.2843 -1.2843 -0.6700 -0.6700 -0.3858 -0.3858 0.1521 0.1521 0.3122 0.3122 0.4381 0.4381 0.5090 0.5090 0.5344 0.5344 5.9288 5.9288 k =-0.2500 0.2467 0.0000 ( 4789 PWs) bands (ev): -13.5439 -13.5439 -13.2743 -13.2743 -12.4483 -12.4483 -11.7880 -11.7880 -7.6950 -7.6950 -7.6006 -7.6006 -7.0580 -7.0580 -6.9997 -6.9997 -6.7906 -6.7906 -2.9433 -2.9433 -1.5652 -1.5652 -1.4473 -1.4473 -1.2985 -1.2985 -1.2577 -1.2577 -0.6721 -0.6721 -0.4156 -0.4156 0.1278 0.1278 0.3041 0.3041 0.4118 0.4118 0.5044 0.5044 0.5292 0.5292 5.9855 5.9855 k =-0.2632 0.2597 0.0000 ( 4781 PWs) bands (ev): -13.5391 -13.5391 -13.2764 -13.2764 -12.4506 -12.4506 -11.7900 -11.7900 -7.6951 -7.6951 -7.6008 -7.6008 -7.0578 -7.0578 -7.0005 -7.0005 -6.7924 -6.7924 -2.9243 -2.9243 -1.5581 -1.5581 -1.4473 -1.4473 -1.2868 -1.2868 -1.2283 -1.2283 -0.6741 -0.6741 -0.4437 -0.4437 0.1025 0.1025 0.2962 0.2962 0.3835 0.3835 0.5003 0.5003 0.5242 0.5242 6.0408 6.0408 k =-0.2763 0.2726 0.0000 ( 4777 PWs) bands (ev): -13.5343 -13.5343 -13.2784 -13.2784 -12.4528 -12.4528 -11.7919 -11.7919 -7.6952 -7.6952 -7.6011 -7.6011 -7.0577 -7.0577 -7.0013 -7.0013 -6.7943 -6.7943 -2.9054 -2.9054 -1.5511 -1.5511 -1.4468 -1.4468 -1.2757 -1.2757 -1.1973 -1.1973 -0.6761 -0.6761 -0.4698 -0.4698 0.0764 0.0764 0.2884 0.2884 0.3535 0.3535 0.4962 0.4962 0.5195 0.5195 6.0945 6.0945 k =-0.2895 0.2856 0.0000 ( 4773 PWs) bands (ev): -13.5296 -13.5296 -13.2805 -13.2805 -12.4551 -12.4551 -11.7937 -11.7937 -7.6953 -7.6953 -7.6014 -7.6014 -7.0575 -7.0575 -7.0022 -7.0022 -6.7962 -6.7962 -2.8867 -2.8867 -1.5443 -1.5443 -1.4461 -1.4461 -1.2650 -1.2650 -1.1653 -1.1653 -0.6781 -0.6781 -0.4934 -0.4934 0.0494 0.0494 0.2807 0.2807 0.3221 0.3221 0.4921 0.4921 0.5150 0.5150 6.1460 6.1460 k =-0.3026 0.2986 0.0000 ( 4769 PWs) bands (ev): -13.5249 -13.5249 -13.2825 -13.2825 -12.4573 -12.4573 -11.7954 -11.7954 -7.6955 -7.6955 -7.6017 -7.6017 -7.0574 -7.0574 -7.0031 -7.0031 -6.7981 -6.7981 -2.8684 -2.8684 -1.5378 -1.5378 -1.4451 -1.4451 -1.2545 -1.2545 -1.1324 -1.1324 -0.6800 -0.6800 -0.5142 -0.5142 0.0216 0.0216 0.2730 0.2730 0.2898 0.2898 0.4880 0.4880 0.5108 0.5108 6.1949 6.1949 k =-0.3158 0.3116 0.0000 ( 4785 PWs) bands (ev): -13.5204 -13.5204 -13.2844 -13.2844 -12.4594 -12.4594 -11.7971 -11.7971 -7.6957 -7.6957 -7.6022 -7.6022 -7.0573 -7.0573 -7.0041 -7.0041 -6.8001 -6.8001 -2.8505 -2.8505 -1.5315 -1.5315 -1.4440 -1.4440 -1.2443 -1.2443 -1.0990 -1.0990 -0.6818 -0.6818 -0.5319 -0.5319 -0.0068 -0.0068 0.2546 0.2546 0.2673 0.2673 0.4838 0.4838 0.5069 0.5069 6.2411 6.2411 k =-0.3289 0.3246 0.0000 ( 4773 PWs) bands (ev): -13.5161 -13.5161 -13.2863 -13.2863 -12.4614 -12.4614 -11.7987 -11.7987 -7.6959 -7.6959 -7.6024 -7.6024 -7.0572 -7.0572 -7.0049 -7.0049 -6.8020 -6.8020 -2.8333 -2.8333 -1.5257 -1.5257 -1.4429 -1.4429 -1.2345 -1.2345 -1.0650 -1.0650 -0.6835 -0.6835 -0.5463 -0.5463 -0.0359 -0.0359 0.2206 0.2206 0.2600 0.2600 0.4797 0.4797 0.5032 0.5032 6.2842 6.2842 k =-0.3421 0.3376 0.0000 ( 4771 PWs) bands (ev): -13.5119 -13.5119 -13.2881 -13.2881 -12.4634 -12.4634 -11.8001 -11.8001 -7.6960 -7.6960 -7.6028 -7.6028 -7.0571 -7.0571 -7.0058 -7.0058 -6.8039 -6.8039 -2.8169 -2.8169 -1.5203 -1.5203 -1.4418 -1.4418 -1.2250 -1.2250 -1.0307 -1.0307 -0.6850 -0.6850 -0.5572 -0.5572 -0.0654 -0.0654 0.1855 0.1855 0.2535 0.2535 0.4755 0.4755 0.4998 0.4998 6.3240 6.3240 k =-0.3553 0.3505 0.0000 ( 4765 PWs) bands (ev): -13.5080 -13.5080 -13.2897 -13.2897 -12.4652 -12.4652 -11.8015 -11.8015 -7.6962 -7.6962 -7.6031 -7.6031 -7.0570 -7.0570 -7.0067 -7.0067 -6.8057 -6.8057 -2.8013 -2.8013 -1.5154 -1.5154 -1.4407 -1.4407 -1.2160 -1.2160 -0.9964 -0.9964 -0.6864 -0.6864 -0.5644 -0.5644 -0.0953 -0.0953 0.1498 0.1498 0.2474 0.2474 0.4715 0.4715 0.4966 0.4966 6.3605 6.3605 k =-0.3684 0.3635 0.0000 ( 4767 PWs) bands (ev): -13.5043 -13.5043 -13.2913 -13.2913 -12.4670 -12.4670 -11.8027 -11.8027 -7.6964 -7.6964 -7.6035 -7.6035 -7.0569 -7.0569 -7.0075 -7.0075 -6.8074 -6.8074 -2.7867 -2.7867 -1.5112 -1.5112 -1.4398 -1.4398 -1.2075 -1.2075 -0.9621 -0.9621 -0.6876 -0.6876 -0.5679 -0.5679 -0.1255 -0.1255 0.1138 0.1138 0.2417 0.2417 0.4676 0.4676 0.4936 0.4936 6.3934 6.3934 k =-0.3816 0.3765 0.0000 ( 4765 PWs) bands (ev): -13.5009 -13.5009 -13.2928 -13.2928 -12.4686 -12.4686 -11.8039 -11.8039 -7.6966 -7.6966 -7.6038 -7.6038 -7.0569 -7.0569 -7.0083 -7.0083 -6.8091 -6.8091 -2.7732 -2.7732 -1.5077 -1.5077 -1.4391 -1.4391 -1.1996 -1.1996 -0.9281 -0.9281 -0.6885 -0.6885 -0.5678 -0.5678 -0.1558 -0.1558 0.0779 0.0779 0.2365 0.2365 0.4640 0.4640 0.4909 0.4909 6.4228 6.4228 k =-0.3947 0.3895 0.0000 ( 4765 PWs) bands (ev): -13.4978 -13.4978 -13.2941 -13.2941 -12.4701 -12.4701 -11.8049 -11.8049 -7.6967 -7.6967 -7.6041 -7.6041 -7.0569 -7.0569 -7.0091 -7.0091 -6.8106 -6.8106 -2.7609 -2.7609 -1.5048 -1.5048 -1.4384 -1.4384 -1.1923 -1.1923 -0.8948 -0.8948 -0.6890 -0.6890 -0.5643 -0.5643 -0.1860 -0.1860 0.0423 0.0423 0.2318 0.2318 0.4606 0.4606 0.4885 0.4885 6.4487 6.4487 k =-0.4079 0.4025 0.0000 ( 4761 PWs) bands (ev): -13.4950 -13.4950 -13.2953 -13.2953 -12.4714 -12.4714 -11.8058 -11.8058 -7.6969 -7.6969 -7.6044 -7.6044 -7.0568 -7.0568 -7.0098 -7.0098 -6.8119 -6.8119 -2.7498 -2.7498 -1.5027 -1.5027 -1.4377 -1.4377 -1.1857 -1.1857 -0.8627 -0.8627 -0.6890 -0.6890 -0.5578 -0.5578 -0.2157 -0.2157 0.0075 0.0075 0.2276 0.2276 0.4574 0.4574 0.4863 0.4863 6.4712 6.4712 k =-0.4211 0.4155 0.0000 ( 4767 PWs) bands (ev): -13.4925 -13.4925 -13.2964 -13.2964 -12.4726 -12.4726 -11.8066 -11.8066 -7.6971 -7.6971 -7.6047 -7.6047 -7.0568 -7.0568 -7.0105 -7.0105 -6.8132 -6.8132 -2.7401 -2.7401 -1.5012 -1.5012 -1.4371 -1.4371 -1.1799 -1.1799 -0.8322 -0.8322 -0.6884 -0.6884 -0.5486 -0.5486 -0.2446 -0.2446 -0.0260 -0.0260 0.2239 0.2239 0.4547 0.4547 0.4843 0.4843 6.4904 6.4904 k =-0.4342 0.4284 0.0000 ( 4773 PWs) bands (ev): -13.4904 -13.4904 -13.2973 -13.2973 -12.4736 -12.4736 -11.8072 -11.8072 -7.6972 -7.6972 -7.6050 -7.6050 -7.0568 -7.0568 -7.0110 -7.0110 -6.8142 -6.8142 -2.7317 -2.7317 -1.5003 -1.5003 -1.4365 -1.4365 -1.1749 -1.1749 -0.8044 -0.8044 -0.6868 -0.6868 -0.5377 -0.5377 -0.2722 -0.2722 -0.0574 -0.0574 0.2207 0.2207 0.4523 0.4523 0.4827 0.4827 6.5063 6.5063 k =-0.4474 0.4414 0.0000 ( 4781 PWs) bands (ev): -13.4886 -13.4886 -13.2980 -13.2980 -12.4744 -12.4744 -11.8078 -11.8078 -7.6974 -7.6974 -7.6052 -7.6052 -7.0568 -7.0568 -7.0116 -7.0116 -6.8152 -6.8152 -2.7248 -2.7248 -1.4999 -1.4999 -1.4359 -1.4359 -1.1707 -1.1707 -0.7803 -0.7803 -0.6838 -0.6838 -0.5258 -0.5258 -0.2977 -0.2977 -0.0859 -0.0859 0.2181 0.2181 0.4503 0.4503 0.4813 0.4813 6.5192 6.5192 k =-0.4605 0.4544 0.0000 ( 4788 PWs) bands (ev): -13.4873 -13.4873 -13.2986 -13.2986 -12.4751 -12.4751 -11.8082 -11.8082 -7.6975 -7.6975 -7.6054 -7.6054 -7.0568 -7.0568 -7.0120 -7.0120 -6.8159 -6.8159 -2.7193 -2.7193 -1.4998 -1.4998 -1.4354 -1.4354 -1.1675 -1.1675 -0.7614 -0.7614 -0.6792 -0.6792 -0.5142 -0.5142 -0.3200 -0.3200 -0.1104 -0.1104 0.2160 0.2160 0.4487 0.4487 0.4802 0.4802 6.5290 6.5290 k =-0.4737 0.4674 0.0000 ( 4784 PWs) bands (ev): -13.4863 -13.4863 -13.2990 -13.2990 -12.4756 -12.4756 -11.8085 -11.8085 -7.6975 -7.6975 -7.6055 -7.6055 -7.0568 -7.0568 -7.0122 -7.0122 -6.8164 -6.8164 -2.7154 -2.7154 -1.4998 -1.4998 -1.4350 -1.4350 -1.1651 -1.1651 -0.7485 -0.7485 -0.6734 -0.6734 -0.5043 -0.5043 -0.3377 -0.3377 -0.1295 -0.1295 0.2146 0.2146 0.4475 0.4475 0.4794 0.4794 6.5360 6.5360 k =-0.4868 0.4804 0.0000 ( 4784 PWs) bands (ev): -13.4857 -13.4857 -13.2993 -13.2993 -12.4758 -12.4758 -11.8087 -11.8087 -7.6976 -7.6976 -7.6055 -7.6055 -7.0568 -7.0568 -7.0124 -7.0124 -6.8167 -6.8167 -2.7131 -2.7131 -1.4998 -1.4998 -1.4347 -1.4347 -1.1637 -1.1637 -0.7413 -0.7413 -0.6683 -0.6683 -0.4975 -0.4975 -0.3493 -0.3493 -0.1418 -0.1418 0.2137 0.2137 0.4468 0.4468 0.4790 0.4790 6.5401 6.5401 k =-0.5000 0.4934 0.0000 ( 4780 PWs) bands (ev): -13.4855 -13.4855 -13.2994 -13.2994 -12.4759 -12.4759 -11.8088 -11.8088 -7.6975 -7.6975 -7.6056 -7.6056 -7.0568 -7.0568 -7.0124 -7.0124 -6.8167 -6.8167 -2.7123 -2.7123 -1.4998 -1.4998 -1.4346 -1.4346 -1.1632 -1.1632 -0.7391 -0.7391 -0.6663 -0.6663 -0.4951 -0.4951 -0.3533 -0.3533 -0.1460 -0.1460 0.2134 0.2134 0.4466 0.4466 0.4788 0.4788 6.5415 6.5415 k =-0.5000 0.4934 0.0000 ( 4780 PWs) bands (ev): -13.4855 -13.4855 -13.2994 -13.2994 -12.4759 -12.4759 -11.8088 -11.8088 -7.6975 -7.6975 -7.6056 -7.6056 -7.0568 -7.0568 -7.0124 -7.0124 -6.8167 -6.8167 -2.7123 -2.7123 -1.4998 -1.4998 -1.4346 -1.4346 -1.1632 -1.1632 -0.7391 -0.7391 -0.6663 -0.6663 -0.4951 -0.4951 -0.3533 -0.3533 -0.1460 -0.1460 0.2134 0.2134 0.4466 0.4466 0.4788 0.4788 6.5415 6.5415 k =-0.4934 0.5000-0.0000 ( 4784 PWs) bands (ev): -13.4855 -13.4855 -13.2994 -13.2994 -12.4759 -12.4759 -11.8087 -11.8087 -7.6976 -7.6976 -7.6055 -7.6055 -7.0568 -7.0568 -7.0124 -7.0124 -6.8168 -6.8168 -2.7124 -2.7124 -1.4999 -1.4999 -1.4347 -1.4347 -1.1637 -1.1637 -0.7396 -0.7396 -0.6668 -0.6668 -0.4942 -0.4942 -0.3531 -0.3531 -0.1453 -0.1453 0.2135 0.2135 0.4467 0.4467 0.4788 0.4788 6.5411 6.5411 k =-0.4934 0.5000-0.0000 ( 4784 PWs) bands (ev): -13.4855 -13.4855 -13.2994 -13.2994 -12.4759 -12.4759 -11.8087 -11.8087 -7.6976 -7.6976 -7.6055 -7.6055 -7.0568 -7.0568 -7.0124 -7.0124 -6.8168 -6.8168 -2.7124 -2.7124 -1.4999 -1.4999 -1.4347 -1.4347 -1.1637 -1.1637 -0.7396 -0.7396 -0.6668 -0.6668 -0.4942 -0.4942 -0.3531 -0.3531 -0.1453 -0.1453 0.2135 0.2135 0.4467 0.4467 0.4788 0.4788 6.5411 6.5411 k =-0.4934 0.5000 0.0184 ( 4776 PWs) bands (ev): -13.4852 -13.4852 -13.2994 -13.2994 -12.4758 -12.4758 -11.8086 -11.8086 -7.6973 -7.6973 -7.6056 -7.6056 -7.0566 -7.0566 -7.0121 -7.0121 -6.8169 -6.8169 -2.7132 -2.7132 -1.5018 -1.5018 -1.4367 -1.4367 -1.1649 -1.1649 -0.7418 -0.7418 -0.6704 -0.6704 -0.4942 -0.4942 -0.3475 -0.3475 -0.1419 -0.1419 0.2136 0.2136 0.4467 0.4467 0.4789 0.4789 6.5417 6.5417 k =-0.4934 0.5000 0.0368 ( 4774 PWs) bands (ev): -13.4843 -13.4843 -13.2993 -13.2993 -12.4757 -12.4757 -11.8083 -11.8083 -7.6966 -7.6966 -7.6056 -7.6056 -7.0561 -7.0561 -7.0116 -7.0116 -6.8172 -6.8172 -2.7156 -2.7156 -1.5081 -1.5081 -1.4421 -1.4421 -1.1686 -1.1686 -0.7495 -0.7495 -0.6789 -0.6789 -0.4943 -0.4943 -0.3319 -0.3319 -0.1319 -0.1319 0.2137 0.2137 0.4469 0.4469 0.4792 0.4792 6.5434 6.5434 k =-0.4934 0.5000 0.0551 ( 4780 PWs) bands (ev): -13.4828 -13.4828 -13.2993 -13.2993 -12.4755 -12.4755 -11.8078 -11.8078 -7.6954 -7.6954 -7.6057 -7.6057 -7.0553 -7.0553 -7.0106 -7.0106 -6.8177 -6.8177 -2.7196 -2.7196 -1.5202 -1.5202 -1.4490 -1.4490 -1.1751 -1.1751 -0.7639 -0.7639 -0.6877 -0.6877 -0.4944 -0.4944 -0.3090 -0.3090 -0.1158 -0.1158 0.2140 0.2140 0.4473 0.4473 0.4795 0.4795 6.5461 6.5461 k =-0.4934 0.5000 0.0735 ( 4784 PWs) bands (ev): -13.4808 -13.4808 -13.2992 -13.2992 -12.4751 -12.4751 -11.8072 -11.8072 -7.6938 -7.6938 -7.6059 -7.6059 -7.0542 -7.0542 -7.0093 -7.0093 -6.8184 -6.8184 -2.7252 -2.7252 -1.5394 -1.5394 -1.4553 -1.4553 -1.1850 -1.1850 -0.7848 -0.7848 -0.6939 -0.6939 -0.4947 -0.4947 -0.2815 -0.2815 -0.0943 -0.0943 0.2145 0.2145 0.4477 0.4477 0.4800 0.4800 6.5498 6.5498 k =-0.4934 0.5000 0.0919 ( 4783 PWs) bands (ev): -13.4782 -13.4782 -13.2991 -13.2991 -12.4747 -12.4747 -11.8063 -11.8063 -7.6918 -7.6918 -7.6061 -7.6061 -7.0528 -7.0528 -7.0074 -7.0074 -6.8193 -6.8193 -2.7324 -2.7324 -1.5658 -1.5658 -1.4604 -1.4604 -1.1991 -1.1991 -0.8091 -0.8091 -0.6973 -0.6973 -0.4949 -0.4949 -0.2515 -0.2515 -0.0685 -0.0685 0.2154 0.2154 0.4483 0.4483 0.4806 0.4806 6.5541 6.5541 k =-0.4934 0.5000 0.1103 ( 4771 PWs) bands (ev): -13.4750 -13.4750 -13.2990 -13.2990 -12.4742 -12.4742 -11.8052 -11.8052 -7.6892 -7.6892 -7.6063 -7.6063 -7.0512 -7.0512 -7.0049 -7.0049 -6.8204 -6.8204 -2.7413 -2.7413 -1.5984 -1.5984 -1.4643 -1.4643 -1.2184 -1.2184 -0.8333 -0.8333 -0.6989 -0.6989 -0.4952 -0.4952 -0.2202 -0.2202 -0.0392 -0.0392 0.2168 0.2168 0.4491 0.4491 0.4815 0.4815 6.5590 6.5590 k =-0.4934 0.5000 0.1287 ( 4760 PWs) bands (ev): -13.4712 -13.4712 -13.2988 -13.2988 -12.4736 -12.4736 -11.8040 -11.8040 -7.6862 -7.6862 -7.6066 -7.6066 -7.0495 -7.0495 -7.0019 -7.0019 -6.8216 -6.8216 -2.7517 -2.7517 -1.6358 -1.6358 -1.4675 -1.4675 -1.2438 -1.2438 -0.8548 -0.8548 -0.6994 -0.6994 -0.4955 -0.4955 -0.1887 -0.1887 -0.0078 -0.0078 0.2191 0.2191 0.4500 0.4500 0.4825 0.4825 6.5641 6.5641 k =-0.4934 0.5000 0.1470 ( 4752 PWs) bands (ev): -13.4670 -13.4670 -13.2986 -13.2986 -12.4730 -12.4730 -11.8026 -11.8026 -7.6829 -7.6829 -7.6069 -7.6069 -7.0477 -7.0477 -6.9982 -6.9982 -6.8231 -6.8231 -2.7638 -2.7638 -1.6769 -1.6769 -1.4704 -1.4704 -1.2757 -1.2757 -0.8719 -0.8719 -0.6992 -0.6992 -0.4958 -0.4958 -0.1575 -0.1575 0.0247 0.0247 0.2225 0.2225 0.4510 0.4510 0.4836 0.4836 6.5691 6.5691 k =-0.4934 0.5000 0.1654 ( 4756 PWs) bands (ev): -13.4622 -13.4622 -13.2984 -13.2984 -12.4722 -12.4722 -11.8010 -11.8010 -7.6793 -7.6793 -7.6073 -7.6073 -7.0460 -7.0460 -6.9940 -6.9940 -6.8247 -6.8247 -2.7775 -2.7775 -1.7205 -1.7205 -1.4732 -1.4732 -1.3140 -1.3140 -0.8840 -0.8840 -0.6986 -0.6986 -0.4961 -0.4961 -0.1270 -0.1270 0.0567 0.0567 0.2280 0.2280 0.4521 0.4521 0.4848 0.4848 6.5738 6.5738 k =-0.4934 0.5000 0.1838 ( 4758 PWs) bands (ev): -13.4570 -13.4570 -13.2982 -13.2982 -12.4714 -12.4714 -11.7993 -11.7993 -7.6754 -7.6754 -7.6077 -7.6077 -7.0442 -7.0442 -6.9890 -6.9890 -6.8265 -6.8265 -2.7928 -2.7928 -1.7660 -1.7660 -1.4762 -1.4762 -1.3579 -1.3579 -0.8913 -0.8913 -0.6977 -0.6977 -0.4963 -0.4963 -0.0975 -0.0975 0.0868 0.0868 0.2364 0.2364 0.4534 0.4534 0.4863 0.4863 6.5776 6.5776 k =-0.4934 0.5000 0.2022 ( 4760 PWs) bands (ev): -13.4514 -13.4514 -13.2980 -13.2980 -12.4706 -12.4706 -11.7974 -11.7974 -7.6712 -7.6712 -7.6082 -7.6082 -7.0425 -7.0425 -6.9834 -6.9834 -6.8285 -6.8285 -2.8097 -2.8097 -1.8124 -1.8124 -1.4798 -1.4798 -1.4062 -1.4062 -0.8942 -0.8942 -0.6965 -0.6965 -0.4965 -0.4965 -0.0689 -0.0689 0.1128 0.1128 0.2494 0.2494 0.4549 0.4549 0.4879 0.4879 6.5803 6.5803 k =-0.4934 0.5000 0.2206 ( 4754 PWs) bands (ev): -13.4453 -13.4453 -13.2978 -13.2978 -12.4697 -12.4697 -11.7954 -11.7954 -7.6667 -7.6667 -7.6086 -7.6086 -7.0408 -7.0408 -6.9770 -6.9770 -6.8306 -6.8306 -2.8282 -2.8282 -1.8593 -1.8593 -1.4868 -1.4868 -1.4552 -1.4552 -0.8933 -0.8933 -0.6951 -0.6951 -0.4966 -0.4966 -0.0416 -0.0416 0.1333 0.1333 0.2679 0.2679 0.4565 0.4565 0.4897 0.4897 6.5815 6.5815 k =-0.4934 0.5000 0.2390 ( 4750 PWs) bands (ev): -13.4388 -13.4388 -13.2975 -13.2975 -12.4687 -12.4687 -11.7932 -11.7932 -7.6620 -7.6620 -7.6091 -7.6091 -7.0391 -7.0391 -6.9700 -6.9700 -6.8328 -6.8328 -2.8481 -2.8481 -1.9061 -1.9061 -1.5221 -1.5221 -1.4791 -1.4791 -0.8895 -0.8895 -0.6936 -0.6936 -0.4966 -0.4966 -0.0154 -0.0154 0.1481 0.1481 0.2918 0.2918 0.4582 0.4582 0.4917 0.4917 6.5808 6.5808 k =-0.4934 0.5000 0.2573 ( 4756 PWs) bands (ev): -13.4320 -13.4320 -13.2972 -13.2972 -12.4677 -12.4677 -11.7910 -11.7910 -7.6572 -7.6572 -7.6095 -7.6095 -7.0375 -7.0375 -6.9626 -6.9626 -6.8352 -6.8352 -2.8696 -2.8696 -1.9525 -1.9525 -1.5779 -1.5779 -1.4847 -1.4847 -0.8832 -0.8832 -0.6919 -0.6919 -0.4966 -0.4966 0.0095 0.0095 0.1583 0.1583 0.3195 0.3195 0.4602 0.4602 0.4939 0.4939 6.5780 6.5780 k =-0.4934 0.5000 0.2757 ( 4760 PWs) bands (ev): -13.4249 -13.4249 -13.2970 -13.2970 -12.4666 -12.4666 -11.7887 -11.7887 -7.6524 -7.6524 -7.6099 -7.6099 -7.0358 -7.0358 -6.9546 -6.9546 -6.8377 -6.8377 -2.8924 -2.8924 -1.9979 -1.9979 -1.6371 -1.6371 -1.4887 -1.4887 -0.8749 -0.8749 -0.6901 -0.6901 -0.4964 -0.4964 0.0333 0.0333 0.1654 0.1654 0.3493 0.3493 0.4625 0.4625 0.4963 0.4963 6.5726 6.5726 k =-0.4934 0.5000 0.2941 ( 4755 PWs) bands (ev): -13.4176 -13.4176 -13.2967 -13.2967 -12.4656 -12.4656 -11.7863 -11.7863 -7.6476 -7.6476 -7.6101 -7.6101 -7.0340 -7.0340 -6.9460 -6.9460 -6.8403 -6.8403 -2.9164 -2.9164 -2.0421 -2.0421 -1.6975 -1.6975 -1.4926 -1.4926 -0.8650 -0.8650 -0.6882 -0.6882 -0.4961 -0.4961 0.0558 0.0558 0.1708 0.1708 0.3793 0.3793 0.4653 0.4653 0.4990 0.4990 6.5646 6.5646 k =-0.4934 0.5000 0.3125 ( 4758 PWs) bands (ev): -13.4100 -13.4100 -13.2964 -13.2964 -12.4645 -12.4645 -11.7838 -11.7838 -7.6431 -7.6431 -7.6101 -7.6101 -7.0322 -7.0322 -6.9371 -6.9371 -6.8430 -6.8430 -2.9416 -2.9416 -2.0850 -2.0850 -1.7586 -1.7586 -1.4966 -1.4966 -0.8539 -0.8539 -0.6863 -0.6863 -0.4957 -0.4957 0.0770 0.0770 0.1751 0.1751 0.4081 0.4081 0.4691 0.4691 0.5021 0.5021 6.5538 6.5538 k =-0.4934 0.5000 0.3309 ( 4760 PWs) bands (ev): -13.4022 -13.4022 -13.2961 -13.2961 -12.4634 -12.4634 -11.7813 -11.7813 -7.6389 -7.6389 -7.6098 -7.6098 -7.0304 -7.0304 -6.9279 -6.9279 -6.8457 -6.8457 -2.9678 -2.9678 -2.1263 -2.1263 -1.8197 -1.8197 -1.5006 -1.5006 -0.8417 -0.8417 -0.6843 -0.6843 -0.4951 -0.4951 0.0971 0.0971 0.1789 0.1789 0.4332 0.4332 0.4753 0.4753 0.5060 0.5060 6.5401 6.5401 k =-0.4934 0.5000 0.3492 ( 4768 PWs) bands (ev): -13.3943 -13.3943 -13.2958 -13.2958 -12.4623 -12.4623 -11.7787 -11.7787 -7.6354 -7.6354 -7.6088 -7.6088 -7.0285 -7.0285 -6.9183 -6.9183 -6.8484 -6.8484 -2.9948 -2.9948 -2.1658 -2.1658 -1.8805 -1.8805 -1.5049 -1.5049 -0.8287 -0.8287 -0.6822 -0.6822 -0.4944 -0.4944 0.1161 0.1161 0.1824 0.1824 0.4505 0.4505 0.4863 0.4863 0.5119 0.5119 6.5237 6.5237 k =-0.4934 0.5000 0.3676 ( 4782 PWs) bands (ev): -13.3863 -13.3863 -13.2955 -13.2955 -12.4612 -12.4612 -11.7761 -11.7761 -7.6328 -7.6328 -7.6071 -7.6071 -7.0265 -7.0265 -6.9087 -6.9087 -6.8512 -6.8512 -3.0225 -3.0225 -2.2035 -2.2035 -1.9407 -1.9407 -1.5092 -1.5092 -0.8152 -0.8152 -0.6802 -0.6802 -0.4936 -0.4936 0.1338 0.1338 0.1860 0.1860 0.4595 0.4595 0.4985 0.4985 0.5237 0.5237 6.5047 6.5047 k =-0.4934 0.5000 0.3860 ( 4782 PWs) bands (ev): -13.3782 -13.3782 -13.2952 -13.2952 -12.4601 -12.4601 -11.7735 -11.7735 -7.6311 -7.6311 -7.6044 -7.6044 -7.0244 -7.0244 -6.8989 -6.8989 -6.8538 -6.8538 -3.0505 -3.0505 -2.2393 -2.2393 -1.9998 -1.9998 -1.5137 -1.5137 -0.8012 -0.8012 -0.6781 -0.6781 -0.4927 -0.4927 0.1505 0.1505 0.1897 0.1897 0.4643 0.4643 0.5059 0.5059 0.5430 0.5430 6.4834 6.4834 k =-0.4934 0.5000 0.4044 ( 4778 PWs) bands (ev): -13.3702 -13.3702 -13.2949 -13.2949 -12.4590 -12.4590 -11.7710 -11.7710 -7.6302 -7.6302 -7.6010 -7.6010 -7.0221 -7.0221 -6.8892 -6.8892 -6.8562 -6.8562 -3.0787 -3.0787 -2.2732 -2.2732 -2.0577 -2.0577 -1.5182 -1.5182 -0.7869 -0.7869 -0.6760 -0.6760 -0.4916 -0.4916 0.1659 0.1659 0.1937 0.1937 0.4676 0.4676 0.5106 0.5106 0.5649 0.5649 6.4600 6.4600 k =-0.4934 0.5000 0.4228 ( 4782 PWs) bands (ev): -13.3622 -13.3622 -13.2947 -13.2947 -12.4580 -12.4580 -11.7684 -11.7684 -7.6301 -7.6301 -7.5971 -7.5971 -7.0198 -7.0198 -6.8800 -6.8800 -6.8581 -6.8581 -3.1069 -3.1069 -2.3051 -2.3051 -2.1141 -2.1141 -1.5228 -1.5228 -0.7725 -0.7725 -0.6739 -0.6739 -0.4904 -0.4904 0.1799 0.1799 0.1982 0.1982 0.4703 0.4703 0.5144 0.5144 0.5866 0.5866 6.4350 6.4350 k =-0.4934 0.5000 0.4411 ( 4786 PWs) bands (ev): -13.3544 -13.3544 -13.2944 -13.2944 -12.4570 -12.4570 -11.7659 -11.7659 -7.6303 -7.6303 -7.5929 -7.5929 -7.0175 -7.0175 -6.8727 -6.8727 -6.8582 -6.8582 -3.1348 -3.1348 -2.3352 -2.3352 -2.1687 -2.1687 -1.5274 -1.5274 -0.7582 -0.7582 -0.6718 -0.6718 -0.4891 -0.4891 0.1919 0.1919 0.2041 0.2041 0.4726 0.4726 0.5180 0.5180 0.6072 0.6072 6.4087 6.4087 k =-0.4934 0.5000 0.4595 ( 4786 PWs) bands (ev): -13.3467 -13.3467 -13.2941 -13.2941 -12.4560 -12.4560 -11.7635 -11.7635 -7.6309 -7.6309 -7.5886 -7.5886 -7.0151 -7.0151 -6.8700 -6.8700 -6.8535 -6.8535 -3.1622 -3.1622 -2.3633 -2.3633 -2.2213 -2.2213 -1.5320 -1.5320 -0.7439 -0.7439 -0.6698 -0.6698 -0.4878 -0.4878 0.2004 0.2004 0.2124 0.2124 0.4747 0.4747 0.5214 0.5214 0.6264 0.6264 6.3817 6.3817 k =-0.4934 0.5000 0.4779 ( 4792 PWs) bands (ev): -13.3392 -13.3392 -13.2938 -13.2938 -12.4550 -12.4550 -11.7611 -11.7611 -7.6317 -7.6317 -7.5843 -7.5843 -7.0127 -7.0127 -6.8709 -6.8709 -6.8455 -6.8455 -3.1889 -3.1889 -2.3896 -2.3896 -2.2716 -2.2716 -1.5366 -1.5366 -0.7300 -0.7300 -0.6679 -0.6679 -0.4864 -0.4864 0.2064 0.2064 0.2226 0.2226 0.4766 0.4766 0.5246 0.5246 0.6440 0.6440 6.3544 6.3544 k =-0.4934 0.5000 0.4963 ( 4794 PWs) bands (ev): -13.3320 -13.3320 -13.2936 -13.2936 -12.4542 -12.4542 -11.7588 -11.7588 -7.6327 -7.6327 -7.5802 -7.5802 -7.0103 -7.0103 -6.8727 -6.8727 -6.8366 -6.8366 -3.2146 -3.2146 -2.4140 -2.4140 -2.3195 -2.3195 -1.5411 -1.5411 -0.7164 -0.7164 -0.6660 -0.6660 -0.4850 -0.4850 0.2116 0.2116 0.2329 0.2329 0.4784 0.4784 0.5278 0.5278 0.6601 0.6601 6.3271 6.3271 k =-0.4934 0.5000 0.5147 ( 4796 PWs) bands (ev): -13.3250 -13.3250 -13.2934 -13.2934 -12.4533 -12.4533 -11.7566 -11.7566 -7.6337 -7.6337 -7.5762 -7.5762 -7.0079 -7.0079 -6.8747 -6.8747 -6.8278 -6.8278 -3.2392 -3.2392 -2.4366 -2.4366 -2.3647 -2.3647 -1.5455 -1.5455 -0.7033 -0.7033 -0.6642 -0.6642 -0.4835 -0.4835 0.2164 0.2164 0.2426 0.2426 0.4800 0.4800 0.5309 0.5309 0.6745 0.6745 6.3004 6.3004 k =-0.4934 0.5000 0.5331 ( 4794 PWs) bands (ev): -13.3185 -13.3185 -13.2931 -13.2931 -12.4525 -12.4525 -11.7546 -11.7546 -7.6346 -7.6346 -7.5724 -7.5724 -7.0056 -7.0056 -6.8767 -6.8767 -6.8192 -6.8192 -3.2625 -3.2625 -2.4574 -2.4574 -2.4069 -2.4069 -1.5496 -1.5496 -0.6909 -0.6909 -0.6625 -0.6625 -0.4821 -0.4821 0.2211 0.2211 0.2516 0.2516 0.4816 0.4816 0.5338 0.5338 0.6875 0.6875 6.2745 6.2745 k =-0.4934 0.5000 0.5514 ( 4798 PWs) bands (ev): -13.3123 -13.3123 -13.2929 -13.2929 -12.4518 -12.4518 -11.7527 -11.7527 -7.6356 -7.6356 -7.5690 -7.5690 -7.0034 -7.0034 -6.8786 -6.8786 -6.8110 -6.8110 -3.2843 -3.2843 -2.4767 -2.4767 -2.4459 -2.4459 -1.5536 -1.5536 -0.6791 -0.6791 -0.6609 -0.6609 -0.4807 -0.4807 0.2257 0.2257 0.2598 0.2598 0.4830 0.4830 0.5366 0.5366 0.6989 0.6989 6.2498 6.2498 k =-0.4934 0.5000 0.5698 ( 4800 PWs) bands (ev): -13.3066 -13.3066 -13.2927 -13.2927 -12.4511 -12.4511 -11.7509 -11.7509 -7.6366 -7.6366 -7.5658 -7.5658 -7.0013 -7.0013 -6.8803 -6.8803 -6.8033 -6.8033 -3.3045 -3.3045 -2.4950 -2.4950 -2.4808 -2.4808 -1.5574 -1.5574 -0.6682 -0.6682 -0.6593 -0.6593 -0.4793 -0.4793 0.2301 0.2301 0.2672 0.2672 0.4843 0.4843 0.5392 0.5392 0.7088 0.7088 6.2267 6.2267 k =-0.4934 0.5000 0.5882 ( 4800 PWs) bands (ev): -13.3014 -13.3014 -13.2925 -13.2925 -12.4505 -12.4505 -11.7492 -11.7492 -7.6376 -7.6376 -7.5629 -7.5629 -6.9993 -6.9993 -6.8819 -6.8819 -6.7961 -6.7961 -3.3229 -3.3229 -2.5184 -2.5184 -2.5055 -2.5055 -1.5608 -1.5608 -0.6591 -0.6591 -0.6570 -0.6570 -0.4781 -0.4781 0.2344 0.2344 0.2738 0.2738 0.4854 0.4854 0.5416 0.5416 0.7174 0.7174 6.2053 6.2053 k =-0.4934 0.5000 0.6066 ( 4794 PWs) bands (ev): -13.2968 -13.2968 -13.2923 -13.2923 -12.4500 -12.4500 -11.7478 -11.7478 -7.6383 -7.6383 -7.5603 -7.5603 -6.9975 -6.9975 -6.8832 -6.8832 -6.7896 -6.7896 -3.3393 -3.3393 -2.5461 -2.5461 -2.5205 -2.5205 -1.5639 -1.5639 -0.6570 -0.6570 -0.6488 -0.6488 -0.4769 -0.4769 0.2383 0.2383 0.2796 0.2796 0.4865 0.4865 0.5438 0.5438 0.7248 0.7248 6.1860 6.1860 k =-0.4934 0.5000 0.6250 ( 4792 PWs) bands (ev): -13.2931 -13.2931 -13.2917 -13.2917 -12.4495 -12.4495 -11.7465 -11.7465 -7.6391 -7.6391 -7.5580 -7.5580 -6.9959 -6.9959 -6.8844 -6.8844 -6.7839 -6.7839 -3.3538 -3.3538 -2.5714 -2.5714 -2.5326 -2.5326 -1.5667 -1.5667 -0.6559 -0.6559 -0.6408 -0.6408 -0.4758 -0.4758 0.2419 0.2419 0.2846 0.2846 0.4874 0.4874 0.5458 0.5458 0.7310 0.7310 6.1689 6.1689 k =-0.4934 0.5000 0.6433 ( 4796 PWs) bands (ev): -13.2923 -13.2923 -13.2888 -13.2888 -12.4491 -12.4491 -11.7454 -11.7454 -7.6398 -7.6398 -7.5561 -7.5561 -6.9946 -6.9946 -6.8854 -6.8854 -6.7789 -6.7789 -3.3662 -3.3662 -2.5932 -2.5932 -2.5427 -2.5427 -1.5691 -1.5691 -0.6549 -0.6549 -0.6339 -0.6339 -0.4749 -0.4749 0.2451 0.2451 0.2888 0.2888 0.4881 0.4881 0.5475 0.5475 0.7360 0.7360 6.1541 6.1541 k =-0.4934 0.5000 0.6617 ( 4801 PWs) bands (ev): -13.2922 -13.2922 -13.2859 -13.2859 -12.4488 -12.4488 -11.7445 -11.7445 -7.6404 -7.6404 -7.5546 -7.5546 -6.9935 -6.9935 -6.8862 -6.8862 -6.7748 -6.7748 -3.3764 -3.3764 -2.6112 -2.6112 -2.5509 -2.5509 -1.5711 -1.5711 -0.6542 -0.6542 -0.6282 -0.6282 -0.4741 -0.4741 0.2478 0.2478 0.2922 0.2922 0.4888 0.4888 0.5489 0.5489 0.7400 0.7400 6.1419 6.1419 k =-0.4934 0.5000 0.6801 ( 4801 PWs) bands (ev): -13.2921 -13.2921 -13.2836 -13.2836 -12.4486 -12.4486 -11.7438 -11.7438 -7.6409 -7.6409 -7.5533 -7.5533 -6.9926 -6.9926 -6.8869 -6.8869 -6.7716 -6.7716 -3.3845 -3.3845 -2.6253 -2.6253 -2.5573 -2.5573 -1.5727 -1.5727 -0.6536 -0.6536 -0.6237 -0.6237 -0.4735 -0.4735 0.2500 0.2500 0.2949 0.2949 0.4893 0.4893 0.5500 0.5500 0.7431 0.7431 6.1322 6.1322 k =-0.4934 0.5000 0.6985 ( 4802 PWs) bands (ev): -13.2920 -13.2920 -13.2819 -13.2819 -12.4484 -12.4484 -11.7432 -11.7432 -7.6412 -7.6412 -7.5525 -7.5525 -6.9920 -6.9920 -6.8873 -6.8873 -6.7692 -6.7692 -3.3902 -3.3902 -2.6354 -2.6354 -2.5618 -2.5618 -1.5738 -1.5738 -0.6531 -0.6531 -0.6205 -0.6205 -0.4731 -0.4731 0.2515 0.2515 0.2968 0.2968 0.4896 0.4896 0.5508 0.5508 0.7452 0.7452 6.1253 6.1253 k =-0.4934 0.5000 0.7169 ( 4810 PWs) bands (ev): -13.2920 -13.2920 -13.2809 -13.2809 -12.4483 -12.4483 -11.7429 -11.7429 -7.6414 -7.6414 -7.5520 -7.5520 -6.9917 -6.9917 -6.8876 -6.8876 -6.7679 -6.7679 -3.3937 -3.3937 -2.6415 -2.6415 -2.5645 -2.5645 -1.5745 -1.5745 -0.6529 -0.6529 -0.6185 -0.6185 -0.4728 -0.4728 0.2525 0.2525 0.2979 0.2979 0.4898 0.4898 0.5513 0.5513 0.7465 0.7465 6.1211 6.1211 k =-0.4934 0.5000 0.7352 ( 4812 PWs) bands (ev): -13.2920 -13.2920 -13.2806 -13.2806 -12.4482 -12.4482 -11.7428 -11.7428 -7.6415 -7.6415 -7.5518 -7.5518 -6.9915 -6.9915 -6.8877 -6.8877 -6.7674 -6.7674 -3.3948 -3.3948 -2.6435 -2.6435 -2.5654 -2.5654 -1.5747 -1.5747 -0.6528 -0.6528 -0.6179 -0.6179 -0.4727 -0.4727 0.2528 0.2528 0.2983 0.2983 0.4899 0.4899 0.5514 0.5514 0.7469 0.7469 6.1197 6.1197 k =-0.4934 0.5000 0.7352 ( 4812 PWs) bands (ev): -13.2920 -13.2920 -13.2806 -13.2806 -12.4482 -12.4482 -11.7428 -11.7428 -7.6415 -7.6415 -7.5518 -7.5518 -6.9915 -6.9915 -6.8877 -6.8877 -6.7674 -6.7674 -3.3948 -3.3948 -2.6435 -2.6435 -2.5654 -2.5654 -1.5747 -1.5747 -0.6528 -0.6528 -0.6179 -0.6179 -0.4727 -0.4727 0.2528 0.2528 0.2983 0.2983 0.4899 0.4899 0.5514 0.5514 0.7469 0.7469 6.1197 6.1197 k =-0.5000 0.4934 0.7352 ( 4816 PWs) bands (ev): -13.2919 -13.2919 -13.2806 -13.2806 -12.4482 -12.4482 -11.7428 -11.7428 -7.6415 -7.6415 -7.5518 -7.5518 -6.9916 -6.9916 -6.8877 -6.8877 -6.7674 -6.7674 -3.3950 -3.3950 -2.6437 -2.6437 -2.5657 -2.5657 -1.5748 -1.5748 -0.6527 -0.6527 -0.6175 -0.6175 -0.4727 -0.4727 0.2529 0.2529 0.2984 0.2984 0.4901 0.4901 0.5516 0.5516 0.7471 0.7471 6.1194 6.1194 k =-0.5000 0.4934 0.7352 ( 4816 PWs) bands (ev): -13.2919 -13.2919 -13.2806 -13.2806 -12.4482 -12.4482 -11.7428 -11.7428 -7.6415 -7.6415 -7.5518 -7.5518 -6.9916 -6.9916 -6.8877 -6.8877 -6.7674 -6.7674 -3.3950 -3.3950 -2.6437 -2.6437 -2.5657 -2.5657 -1.5748 -1.5748 -0.6527 -0.6527 -0.6175 -0.6175 -0.4727 -0.4727 0.2529 0.2529 0.2984 0.2984 0.4901 0.4901 0.5516 0.5516 0.7471 0.7471 6.1194 6.1194 k =-0.5000 0.4934 0.7169 ( 4808 PWs) bands (ev): -13.2919 -13.2919 -13.2809 -13.2809 -12.4483 -12.4483 -11.7429 -11.7429 -7.6414 -7.6414 -7.5520 -7.5520 -6.9917 -6.9917 -6.8875 -6.8875 -6.7679 -6.7679 -3.3938 -3.3938 -2.6417 -2.6417 -2.5648 -2.5648 -1.5746 -1.5746 -0.6528 -0.6528 -0.6182 -0.6182 -0.4728 -0.4728 0.2526 0.2526 0.2981 0.2981 0.4900 0.4900 0.5514 0.5514 0.7467 0.7467 6.1208 6.1208 k =-0.5000 0.4934 0.6985 ( 4804 PWs) bands (ev): -13.2920 -13.2920 -13.2820 -13.2820 -12.4484 -12.4484 -11.7433 -11.7433 -7.6412 -7.6412 -7.5525 -7.5525 -6.9920 -6.9920 -6.8873 -6.8873 -6.7692 -6.7692 -3.3903 -3.3903 -2.6356 -2.6356 -2.5621 -2.5621 -1.5739 -1.5739 -0.6531 -0.6531 -0.6201 -0.6201 -0.4731 -0.4731 0.2516 0.2516 0.2969 0.2969 0.4898 0.4898 0.5510 0.5510 0.7454 0.7454 6.1249 6.1249 k =-0.5000 0.4934 0.6801 ( 4800 PWs) bands (ev): -13.2920 -13.2920 -13.2836 -13.2836 -12.4486 -12.4486 -11.7438 -11.7438 -7.6408 -7.6408 -7.5533 -7.5533 -6.9926 -6.9926 -6.8868 -6.8868 -6.7716 -6.7716 -3.3846 -3.3846 -2.6254 -2.6254 -2.5575 -2.5575 -1.5728 -1.5728 -0.6535 -0.6535 -0.6234 -0.6234 -0.4735 -0.4735 0.2501 0.2501 0.2950 0.2950 0.4895 0.4895 0.5501 0.5501 0.7433 0.7433 6.1319 6.1319 k =-0.5000 0.4934 0.6617 ( 4798 PWs) bands (ev): -13.2921 -13.2921 -13.2859 -13.2859 -12.4488 -12.4488 -11.7445 -11.7445 -7.6404 -7.6404 -7.5545 -7.5545 -6.9935 -6.9935 -6.8862 -6.8862 -6.7748 -6.7748 -3.3766 -3.3766 -2.6113 -2.6113 -2.5512 -2.5512 -1.5712 -1.5712 -0.6541 -0.6541 -0.6279 -0.6279 -0.4741 -0.4741 0.2480 0.2480 0.2923 0.2923 0.4890 0.4890 0.5490 0.5490 0.7402 0.7402 6.1415 6.1415 k =-0.5000 0.4934 0.6433 ( 4798 PWs) bands (ev): -13.2922 -13.2922 -13.2889 -13.2889 -12.4491 -12.4491 -11.7454 -11.7454 -7.6398 -7.6398 -7.5561 -7.5561 -6.9946 -6.9946 -6.8854 -6.8854 -6.7789 -6.7789 -3.3663 -3.3663 -2.5933 -2.5933 -2.5430 -2.5430 -1.5692 -1.5692 -0.6549 -0.6549 -0.6336 -0.6336 -0.4749 -0.4749 0.2453 0.2453 0.2888 0.2888 0.4884 0.4884 0.5476 0.5476 0.7362 0.7362 6.1538 6.1538 k =-0.5000 0.4934 0.6250 ( 4790 PWs) bands (ev): -13.2928 -13.2928 -13.2920 -13.2920 -12.4495 -12.4495 -11.7465 -11.7465 -7.6391 -7.6391 -7.5580 -7.5580 -6.9959 -6.9959 -6.8844 -6.8844 -6.7839 -6.7839 -3.3539 -3.3539 -2.5714 -2.5714 -2.5330 -2.5330 -1.5668 -1.5668 -0.6558 -0.6558 -0.6405 -0.6405 -0.4759 -0.4759 0.2422 0.2422 0.2845 0.2845 0.4876 0.4876 0.5458 0.5458 0.7311 0.7311 6.1685 6.1685 k =-0.5000 0.4934 0.6066 ( 4794 PWs) bands (ev): -13.2967 -13.2967 -13.2924 -13.2924 -12.4500 -12.4500 -11.7478 -11.7478 -7.6383 -7.6383 -7.5603 -7.5603 -6.9975 -6.9975 -6.8832 -6.8832 -6.7896 -6.7896 -3.3395 -3.3395 -2.5460 -2.5460 -2.5210 -2.5210 -1.5640 -1.5640 -0.6569 -0.6569 -0.6485 -0.6485 -0.4769 -0.4769 0.2387 0.2387 0.2794 0.2794 0.4867 0.4867 0.5438 0.5438 0.7250 0.7250 6.1857 6.1857 k =-0.5000 0.4934 0.5882 ( 4806 PWs) bands (ev): -13.3014 -13.3014 -13.2926 -13.2926 -12.4505 -12.4505 -11.7493 -11.7493 -7.6376 -7.6376 -7.5629 -7.5629 -6.9994 -6.9994 -6.8819 -6.8819 -6.7962 -6.7962 -3.3230 -3.3230 -2.5178 -2.5178 -2.5065 -2.5065 -1.5609 -1.5609 -0.6589 -0.6589 -0.6568 -0.6568 -0.4782 -0.4782 0.2348 0.2348 0.2735 0.2735 0.4857 0.4857 0.5416 0.5416 0.7176 0.7176 6.2050 6.2050 k =-0.5000 0.4934 0.5698 ( 4798 PWs) bands (ev): -13.3066 -13.3066 -13.2928 -13.2928 -12.4511 -12.4511 -11.7509 -11.7509 -7.6366 -7.6366 -7.5658 -7.5658 -7.0013 -7.0013 -6.8803 -6.8803 -6.8033 -6.8033 -3.3046 -3.3046 -2.4944 -2.4944 -2.4817 -2.4817 -1.5575 -1.5575 -0.6679 -0.6679 -0.6591 -0.6591 -0.4795 -0.4795 0.2306 0.2306 0.2668 0.2668 0.4846 0.4846 0.5391 0.5391 0.7090 0.7090 6.2264 6.2264 k =-0.5000 0.4934 0.5514 ( 4798 PWs) bands (ev): -13.3123 -13.3123 -13.2929 -13.2929 -12.4518 -12.4518 -11.7527 -11.7527 -7.6356 -7.6356 -7.5690 -7.5690 -7.0034 -7.0034 -6.8785 -6.8785 -6.8110 -6.8110 -3.2844 -3.2844 -2.4764 -2.4764 -2.4465 -2.4465 -1.5537 -1.5537 -0.6787 -0.6787 -0.6607 -0.6607 -0.4808 -0.4808 0.2263 0.2263 0.2593 0.2593 0.4834 0.4834 0.5365 0.5365 0.6990 0.6990 6.2496 6.2496 k =-0.5000 0.4934 0.5331 ( 4794 PWs) bands (ev): -13.3185 -13.3185 -13.2931 -13.2931 -12.4525 -12.4525 -11.7546 -11.7546 -7.6346 -7.6346 -7.5724 -7.5724 -7.0055 -7.0055 -6.8767 -6.8767 -6.8192 -6.8192 -3.2626 -3.2626 -2.4573 -2.4573 -2.4073 -2.4073 -1.5497 -1.5497 -0.6905 -0.6905 -0.6622 -0.6622 -0.4823 -0.4823 0.2219 0.2219 0.2509 0.2509 0.4820 0.4820 0.5336 0.5336 0.6876 0.6876 6.2743 6.2743 k =-0.5000 0.4934 0.5147 ( 4800 PWs) bands (ev): -13.3250 -13.3250 -13.2934 -13.2934 -12.4533 -12.4533 -11.7567 -11.7567 -7.6337 -7.6337 -7.5762 -7.5762 -7.0079 -7.0079 -6.8747 -6.8747 -6.8278 -6.8278 -3.2394 -3.2394 -2.4366 -2.4366 -2.3650 -2.3650 -1.5456 -1.5456 -0.7030 -0.7030 -0.6639 -0.6639 -0.4837 -0.4837 0.2174 0.2174 0.2417 0.2417 0.4805 0.4805 0.5306 0.5306 0.6747 0.6747 6.3002 6.3002 k =-0.5000 0.4934 0.4963 ( 4796 PWs) bands (ev): -13.3319 -13.3319 -13.2936 -13.2936 -12.4542 -12.4542 -11.7588 -11.7588 -7.6327 -7.6327 -7.5802 -7.5802 -7.0103 -7.0103 -6.8727 -6.8727 -6.8366 -6.8366 -3.2147 -3.2147 -2.4140 -2.4140 -2.3198 -2.3198 -1.5412 -1.5412 -0.7160 -0.7160 -0.6657 -0.6657 -0.4852 -0.4852 0.2129 0.2129 0.2316 0.2316 0.4789 0.4789 0.5275 0.5275 0.6602 0.6602 6.3269 6.3269 k =-0.5000 0.4934 0.4779 ( 4790 PWs) bands (ev): -13.3392 -13.3392 -13.2939 -13.2939 -12.4550 -12.4550 -11.7611 -11.7611 -7.6317 -7.6317 -7.5843 -7.5843 -7.0127 -7.0127 -6.8709 -6.8709 -6.8455 -6.8455 -3.1890 -3.1890 -2.3896 -2.3896 -2.2720 -2.2720 -1.5367 -1.5367 -0.7296 -0.7296 -0.6675 -0.6675 -0.4867 -0.4867 0.2085 0.2085 0.2206 0.2206 0.4771 0.4771 0.5243 0.5243 0.6441 0.6441 6.3542 6.3542 k =-0.5000 0.4934 0.4595 ( 4790 PWs) bands (ev): -13.3466 -13.3466 -13.2941 -13.2941 -12.4560 -12.4560 -11.7635 -11.7635 -7.6309 -7.6309 -7.5886 -7.5886 -7.0151 -7.0151 -6.8700 -6.8700 -6.8536 -6.8536 -3.1623 -3.1623 -2.3633 -2.3633 -2.2216 -2.2216 -1.5321 -1.5321 -0.7436 -0.7436 -0.6694 -0.6694 -0.4881 -0.4881 0.2042 0.2042 0.2087 0.2087 0.4752 0.4752 0.5210 0.5210 0.6265 0.6265 6.3816 6.3816 k =-0.5000 0.4934 0.4411 ( 4782 PWs) bands (ev): -13.3543 -13.3543 -13.2944 -13.2944 -12.4570 -12.4570 -11.7659 -11.7659 -7.6303 -7.6303 -7.5929 -7.5929 -7.0174 -7.0174 -6.8727 -6.8727 -6.8582 -6.8582 -3.1349 -3.1349 -2.3352 -2.3352 -2.1690 -2.1690 -1.5275 -1.5275 -0.7578 -0.7578 -0.6714 -0.6714 -0.4895 -0.4895 0.1958 0.1958 0.2001 0.2001 0.4732 0.4732 0.5176 0.5176 0.6073 0.6073 6.4086 6.4086 k =-0.5000 0.4934 0.4228 ( 4784 PWs) bands (ev): -13.3622 -13.3622 -13.2947 -13.2947 -12.4580 -12.4580 -11.7684 -11.7684 -7.6301 -7.6301 -7.5971 -7.5971 -7.0198 -7.0198 -6.8800 -6.8800 -6.8581 -6.8581 -3.1070 -3.1070 -2.3052 -2.3052 -2.1144 -2.1144 -1.5229 -1.5229 -0.7722 -0.7722 -0.6734 -0.6734 -0.4908 -0.4908 0.1820 0.1820 0.1962 0.1962 0.4709 0.4709 0.5140 0.5140 0.5866 0.5866 6.4349 6.4349 k =-0.5000 0.4934 0.4044 ( 4774 PWs) bands (ev): -13.3702 -13.3702 -13.2949 -13.2949 -12.4590 -12.4590 -11.7710 -11.7710 -7.6302 -7.6302 -7.6009 -7.6009 -7.0221 -7.0221 -6.8892 -6.8892 -6.8562 -6.8562 -3.0788 -3.0788 -2.2732 -2.2732 -2.0580 -2.0580 -1.5182 -1.5182 -0.7866 -0.7866 -0.6755 -0.6755 -0.4920 -0.4920 0.1672 0.1672 0.1924 0.1924 0.4683 0.4683 0.5102 0.5102 0.5648 0.5648 6.4599 6.4599 k =-0.5000 0.4934 0.3860 ( 4776 PWs) bands (ev): -13.3782 -13.3782 -13.2952 -13.2952 -12.4601 -12.4601 -11.7736 -11.7736 -7.6310 -7.6310 -7.6044 -7.6044 -7.0243 -7.0243 -6.8989 -6.8989 -6.8538 -6.8538 -3.0506 -3.0506 -2.2393 -2.2393 -2.0001 -2.0001 -1.5137 -1.5137 -0.8009 -0.8009 -0.6775 -0.6775 -0.4931 -0.4931 0.1514 0.1514 0.1888 0.1888 0.4649 0.4649 0.5055 0.5055 0.5428 0.5428 6.4834 6.4834 k =-0.5000 0.4934 0.3676 ( 4780 PWs) bands (ev): -13.3862 -13.3862 -13.2955 -13.2955 -12.4612 -12.4612 -11.7761 -11.7761 -7.6328 -7.6328 -7.6071 -7.6071 -7.0265 -7.0265 -6.9087 -6.9087 -6.8512 -6.8512 -3.0225 -3.0225 -2.2035 -2.2035 -1.9409 -1.9409 -1.5092 -1.5092 -0.8149 -0.8149 -0.6796 -0.6796 -0.4941 -0.4941 0.1345 0.1345 0.1853 0.1853 0.4600 0.4600 0.4984 0.4984 0.5233 0.5233 6.5047 6.5047 k =-0.5000 0.4934 0.3492 ( 4776 PWs) bands (ev): -13.3942 -13.3942 -13.2958 -13.2958 -12.4623 -12.4623 -11.7787 -11.7787 -7.6354 -7.6354 -7.6088 -7.6088 -7.0285 -7.0285 -6.9184 -6.9184 -6.8485 -6.8485 -2.9949 -2.9949 -2.1658 -2.1658 -1.8807 -1.8807 -1.5049 -1.5049 -0.8284 -0.8284 -0.6816 -0.6816 -0.4950 -0.4950 0.1166 0.1166 0.1819 0.1819 0.4508 0.4508 0.4866 0.4866 0.5112 0.5112 6.5238 6.5238 k =-0.5000 0.4934 0.3309 ( 4764 PWs) bands (ev): -13.4021 -13.4021 -13.2961 -13.2961 -12.4634 -12.4634 -11.7813 -11.7813 -7.6389 -7.6389 -7.6098 -7.6098 -7.0304 -7.0304 -6.9279 -6.9279 -6.8457 -6.8457 -2.9678 -2.9678 -2.1262 -2.1262 -1.8199 -1.8199 -1.5007 -1.5007 -0.8414 -0.8414 -0.6836 -0.6836 -0.4957 -0.4957 0.0976 0.0976 0.1784 0.1784 0.4332 0.4332 0.4760 0.4760 0.5053 0.5053 6.5402 6.5402 k =-0.5000 0.4934 0.3125 ( 4764 PWs) bands (ev): -13.4099 -13.4099 -13.2964 -13.2964 -12.4645 -12.4645 -11.7838 -11.7838 -7.6431 -7.6431 -7.6102 -7.6102 -7.0323 -7.0323 -6.9372 -6.9372 -6.8430 -6.8430 -2.9416 -2.9416 -2.0850 -2.0850 -1.7588 -1.7588 -1.4966 -1.4966 -0.8536 -0.8536 -0.6856 -0.6856 -0.4963 -0.4963 0.0774 0.0774 0.1747 0.1747 0.4080 0.4080 0.4698 0.4698 0.5014 0.5014 6.5539 6.5539 k =-0.5000 0.4934 0.2941 ( 4756 PWs) bands (ev): -13.4175 -13.4175 -13.2967 -13.2967 -12.4656 -12.4656 -11.7863 -11.7863 -7.6476 -7.6476 -7.6101 -7.6101 -7.0340 -7.0340 -6.9461 -6.9461 -6.8403 -6.8403 -2.9164 -2.9164 -2.0421 -2.0421 -1.6977 -1.6977 -1.4926 -1.4926 -0.8647 -0.8647 -0.6875 -0.6875 -0.4968 -0.4968 0.0560 0.0560 0.1704 0.1704 0.3791 0.3791 0.4661 0.4661 0.4983 0.4983 6.5648 6.5648 k =-0.5000 0.4934 0.2757 ( 4754 PWs) bands (ev): -13.4249 -13.4249 -13.2970 -13.2970 -12.4667 -12.4667 -11.7887 -11.7887 -7.6524 -7.6524 -7.6099 -7.6099 -7.0358 -7.0358 -6.9546 -6.9546 -6.8377 -6.8377 -2.8923 -2.8923 -1.9979 -1.9979 -1.6373 -1.6373 -1.4887 -1.4887 -0.8746 -0.8746 -0.6894 -0.6894 -0.4971 -0.4971 0.0335 0.0335 0.1651 0.1651 0.3491 0.3491 0.4632 0.4632 0.4956 0.4956 6.5728 6.5728 k =-0.5000 0.4934 0.2573 ( 4754 PWs) bands (ev): -13.4320 -13.4320 -13.2972 -13.2972 -12.4677 -12.4677 -11.7910 -11.7910 -7.6572 -7.6572 -7.6095 -7.6095 -7.0375 -7.0375 -6.9626 -6.9626 -6.8352 -6.8352 -2.8695 -2.8695 -1.9524 -1.9524 -1.5781 -1.5781 -1.4847 -1.4847 -0.8829 -0.8829 -0.6911 -0.6911 -0.4973 -0.4973 0.0097 0.0097 0.1580 0.1580 0.3193 0.3193 0.4609 0.4609 0.4933 0.4933 6.5782 6.5782 k =-0.5000 0.4934 0.2390 ( 4752 PWs) bands (ev): -13.4388 -13.4388 -13.2975 -13.2975 -12.4687 -12.4687 -11.7933 -11.7933 -7.6620 -7.6620 -7.6091 -7.6091 -7.0391 -7.0391 -6.9701 -6.9701 -6.8328 -6.8328 -2.8481 -2.8481 -1.9061 -1.9061 -1.5221 -1.5221 -1.4791 -1.4791 -0.8892 -0.8892 -0.6928 -0.6928 -0.4974 -0.4974 -0.0152 -0.0152 0.1478 0.1478 0.2915 0.2915 0.4589 0.4589 0.4911 0.4911 6.5811 6.5811 k =-0.5000 0.4934 0.2206 ( 4758 PWs) bands (ev): -13.4453 -13.4453 -13.2978 -13.2978 -12.4697 -12.4697 -11.7954 -11.7954 -7.6667 -7.6667 -7.6086 -7.6086 -7.0408 -7.0408 -6.9770 -6.9770 -6.8306 -6.8306 -2.8281 -2.8281 -1.8593 -1.8593 -1.4868 -1.4868 -1.4553 -1.4553 -0.8931 -0.8931 -0.6943 -0.6943 -0.4974 -0.4974 -0.0414 -0.0414 0.1330 0.1330 0.2676 0.2676 0.4570 0.4570 0.4892 0.4892 6.5818 6.5818 k =-0.5000 0.4934 0.2022 ( 4758 PWs) bands (ev): -13.4513 -13.4513 -13.2980 -13.2980 -12.4706 -12.4706 -11.7974 -11.7974 -7.6712 -7.6712 -7.6082 -7.6082 -7.0425 -7.0425 -6.9834 -6.9834 -6.8285 -6.8285 -2.8097 -2.8097 -1.8124 -1.8124 -1.4798 -1.4798 -1.4063 -1.4063 -0.8939 -0.8939 -0.6957 -0.6957 -0.4973 -0.4973 -0.0688 -0.0688 0.1124 0.1124 0.2491 0.2491 0.4553 0.4553 0.4874 0.4874 6.5806 6.5806 k =-0.5000 0.4934 0.1838 ( 4760 PWs) bands (ev): -13.4570 -13.4570 -13.2982 -13.2982 -12.4715 -12.4715 -11.7993 -11.7993 -7.6754 -7.6754 -7.6077 -7.6077 -7.0442 -7.0442 -6.9890 -6.9890 -6.8265 -6.8265 -2.7928 -2.7928 -1.7659 -1.7659 -1.4762 -1.4762 -1.3579 -1.3579 -0.8911 -0.8911 -0.6968 -0.6968 -0.4971 -0.4971 -0.0974 -0.0974 0.0863 0.0863 0.2362 0.2362 0.4538 0.4538 0.4859 0.4859 6.5779 6.5779 k =-0.5000 0.4934 0.1654 ( 4760 PWs) bands (ev): -13.4622 -13.4622 -13.2984 -13.2984 -12.4723 -12.4723 -11.8010 -11.8010 -7.6794 -7.6794 -7.6073 -7.6073 -7.0460 -7.0460 -6.9940 -6.9940 -6.8247 -6.8247 -2.7774 -2.7774 -1.7205 -1.7205 -1.4732 -1.4732 -1.3139 -1.3139 -0.8839 -0.8839 -0.6977 -0.6977 -0.4969 -0.4969 -0.1270 -0.1270 0.0563 0.0563 0.2277 0.2277 0.4525 0.4525 0.4845 0.4845 6.5741 6.5741 k =-0.5000 0.4934 0.1470 ( 4756 PWs) bands (ev): -13.4670 -13.4670 -13.2986 -13.2986 -12.4730 -12.4730 -11.8026 -11.8026 -7.6829 -7.6829 -7.6069 -7.6069 -7.0477 -7.0477 -6.9982 -6.9982 -6.8231 -6.8231 -2.7637 -2.7637 -1.6768 -1.6768 -1.4704 -1.4704 -1.2755 -1.2755 -0.8718 -0.8718 -0.6983 -0.6983 -0.4966 -0.4966 -0.1575 -0.1575 0.0241 0.0241 0.2223 0.2223 0.4513 0.4513 0.4833 0.4833 6.5695 6.5695 k =-0.5000 0.4934 0.1287 ( 4760 PWs) bands (ev): -13.4712 -13.4712 -13.2988 -13.2988 -12.4737 -12.4737 -11.8040 -11.8040 -7.6862 -7.6862 -7.6066 -7.6066 -7.0495 -7.0495 -7.0019 -7.0019 -6.8216 -6.8216 -2.7516 -2.7516 -1.6358 -1.6358 -1.4675 -1.4675 -1.2436 -1.2436 -0.8547 -0.8547 -0.6985 -0.6985 -0.4963 -0.4963 -0.1887 -0.1887 -0.0084 -0.0084 0.2189 0.2189 0.4502 0.4502 0.4822 0.4822 6.5645 6.5645 k =-0.5000 0.4934 0.1103 ( 4764 PWs) bands (ev): -13.4749 -13.4749 -13.2989 -13.2989 -12.4742 -12.4742 -11.8052 -11.8052 -7.6892 -7.6892 -7.6063 -7.6063 -7.0512 -7.0512 -7.0049 -7.0049 -6.8203 -6.8203 -2.7412 -2.7412 -1.5983 -1.5983 -1.4643 -1.4643 -1.2182 -1.2182 -0.8332 -0.8332 -0.6980 -0.6980 -0.4961 -0.4961 -0.2202 -0.2202 -0.0399 -0.0399 0.2167 0.2167 0.4492 0.4492 0.4813 0.4813 6.5594 6.5594 k =-0.5000 0.4934 0.0919 ( 4784 PWs) bands (ev): -13.4781 -13.4781 -13.2991 -13.2991 -12.4748 -12.4748 -11.8063 -11.8063 -7.6918 -7.6918 -7.6061 -7.6061 -7.0528 -7.0528 -7.0074 -7.0074 -6.8193 -6.8193 -2.7323 -2.7323 -1.5658 -1.5658 -1.4603 -1.4603 -1.1988 -1.1988 -0.8090 -0.8090 -0.6964 -0.6964 -0.4958 -0.4958 -0.2515 -0.2515 -0.0692 -0.0692 0.2153 0.2153 0.4484 0.4484 0.4805 0.4805 6.5545 6.5545 k =-0.5000 0.4934 0.0735 ( 4780 PWs) bands (ev): -13.4808 -13.4808 -13.2992 -13.2992 -12.4752 -12.4752 -11.8072 -11.8072 -7.6938 -7.6938 -7.6059 -7.6059 -7.0541 -7.0541 -7.0092 -7.0092 -6.8184 -6.8184 -2.7251 -2.7251 -1.5393 -1.5393 -1.4553 -1.4553 -1.1846 -1.1846 -0.7847 -0.7847 -0.6930 -0.6930 -0.4955 -0.4955 -0.2816 -0.2816 -0.0950 -0.0950 0.2144 0.2144 0.4478 0.4478 0.4799 0.4799 6.5501 6.5501 k =-0.5000 0.4934 0.0551 ( 4784 PWs) bands (ev): -13.4828 -13.4828 -13.2993 -13.2993 -12.4755 -12.4755 -11.8079 -11.8079 -7.6955 -7.6955 -7.6058 -7.6058 -7.0553 -7.0553 -7.0107 -7.0107 -6.8177 -6.8177 -2.7195 -2.7195 -1.5201 -1.5201 -1.4489 -1.4489 -1.1747 -1.1747 -0.7638 -0.7638 -0.6870 -0.6870 -0.4954 -0.4954 -0.3091 -0.3091 -0.1165 -0.1165 0.2139 0.2139 0.4473 0.4473 0.4794 0.4794 6.5465 6.5465 k =-0.5000 0.4934 0.0368 ( 4772 PWs) bands (ev): -13.4843 -13.4843 -13.2993 -13.2993 -12.4757 -12.4757 -11.8084 -11.8084 -7.6965 -7.6965 -7.6056 -7.6056 -7.0561 -7.0561 -7.0116 -7.0116 -6.8172 -6.8172 -2.7155 -2.7155 -1.5080 -1.5080 -1.4420 -1.4420 -1.1681 -1.1681 -0.7491 -0.7491 -0.6783 -0.6783 -0.4952 -0.4952 -0.3321 -0.3321 -0.1326 -0.1326 0.2136 0.2136 0.4469 0.4469 0.4791 0.4791 6.5438 6.5438 k =-0.5000 0.4934 0.0184 ( 4768 PWs) bands (ev): -13.4852 -13.4852 -13.2994 -13.2994 -12.4759 -12.4759 -11.8087 -11.8087 -7.6972 -7.6972 -7.6055 -7.6055 -7.0566 -7.0566 -7.0121 -7.0121 -6.8169 -6.8169 -2.7131 -2.7131 -1.5018 -1.5018 -1.4367 -1.4367 -1.1644 -1.1644 -0.7414 -0.7414 -0.6698 -0.6698 -0.4951 -0.4951 -0.3477 -0.3477 -0.1426 -0.1426 0.2134 0.2134 0.4467 0.4467 0.4789 0.4789 6.5421 6.5421 k =-0.5000 0.4934 0.0000 ( 4780 PWs) bands (ev): -13.4855 -13.4855 -13.2994 -13.2994 -12.4759 -12.4759 -11.8088 -11.8088 -7.6975 -7.6975 -7.6056 -7.6056 -7.0568 -7.0568 -7.0124 -7.0124 -6.8167 -6.8167 -2.7123 -2.7123 -1.4998 -1.4998 -1.4346 -1.4346 -1.1632 -1.1632 -0.7391 -0.7391 -0.6663 -0.6663 -0.4951 -0.4951 -0.3533 -0.3533 -0.1460 -0.1460 0.2134 0.2134 0.4466 0.4466 0.4788 0.4788 6.5415 6.5415 k = 0.0000 0.0000 0.7352 ( 4756 PWs) bands (ev): -13.3295 -13.3295 -13.2496 -13.2496 -12.4831 -12.4831 -11.7037 -11.7037 -7.6558 -7.6558 -7.5548 -7.5548 -6.9979 -6.9979 -6.9456 -6.9456 -6.7621 -6.7621 -3.0084 -3.0084 -2.2957 -2.2957 -2.2316 -2.2316 -1.1779 -1.1779 -0.7730 -0.7730 -0.6566 -0.6566 -0.5360 -0.5360 -0.2932 -0.2932 0.0161 0.0161 0.0997 0.0997 0.1244 0.1244 0.1797 0.1797 6.9364 6.9364 k =-0.0132 0.0130 0.7352 ( 4760 PWs) bands (ev): -13.3294 -13.3294 -13.2497 -13.2497 -12.4830 -12.4830 -11.7038 -11.7038 -7.6558 -7.6558 -7.5548 -7.5548 -6.9978 -6.9978 -6.9455 -6.9455 -6.7621 -6.7621 -3.0089 -3.0089 -2.2964 -2.2964 -2.2323 -2.2323 -1.1771 -1.1771 -0.7757 -0.7757 -0.6569 -0.6569 -0.5378 -0.5378 -0.2905 -0.2905 0.0188 0.0188 0.1002 0.1002 0.1250 0.1250 0.1806 0.1806 6.9359 6.9359 k =-0.0263 0.0260 0.7352 ( 4760 PWs) bands (ev): -13.3291 -13.3291 -13.2499 -13.2499 -12.4827 -12.4827 -11.7042 -11.7042 -7.6556 -7.6556 -7.5548 -7.5548 -6.9978 -6.9978 -6.9451 -6.9451 -6.7621 -6.7621 -3.0106 -3.0106 -2.2984 -2.2984 -2.2343 -2.2343 -1.1747 -1.1747 -0.7839 -0.7839 -0.6575 -0.6575 -0.5433 -0.5433 -0.2828 -0.2828 0.0266 0.0266 0.1015 0.1015 0.1270 0.1270 0.1831 0.1831 6.9346 6.9346 k =-0.0395 0.0389 0.7352 ( 4772 PWs) bands (ev): -13.3287 -13.3287 -13.2503 -13.2503 -12.4822 -12.4822 -11.7049 -11.7049 -7.6554 -7.6554 -7.5548 -7.5548 -6.9977 -6.9977 -6.9445 -6.9445 -6.7622 -6.7622 -3.0135 -3.0135 -2.3017 -2.3017 -2.2375 -2.2375 -1.1706 -1.1706 -0.7971 -0.7971 -0.6582 -0.6582 -0.5518 -0.5518 -0.2707 -0.2707 0.0387 0.0387 0.1039 0.1039 0.1306 0.1306 0.1872 0.1872 6.9322 6.9322 k =-0.0526 0.0519 0.7352 ( 4762 PWs) bands (ev): -13.3282 -13.3282 -13.2508 -13.2508 -12.4815 -12.4815 -11.7059 -11.7059 -7.6551 -7.6551 -7.5548 -7.5548 -6.9974 -6.9974 -6.9435 -6.9435 -6.7621 -6.7621 -3.0174 -3.0174 -2.3063 -2.3063 -2.2420 -2.2420 -1.1650 -1.1650 -0.8148 -0.8148 -0.6588 -0.6588 -0.5627 -0.5627 -0.2548 -0.2548 0.0542 0.0542 0.1075 0.1075 0.1359 0.1359 0.1928 0.1928 6.9288 6.9288 k =-0.0658 0.0649 0.7352 ( 4762 PWs) bands (ev): -13.3274 -13.3274 -13.2514 -13.2514 -12.4806 -12.4806 -11.7071 -11.7071 -7.6547 -7.6547 -7.5547 -7.5547 -6.9972 -6.9972 -6.9424 -6.9424 -6.7621 -6.7621 -3.0225 -3.0225 -2.3122 -2.3122 -2.2476 -2.2476 -1.1578 -1.1578 -0.8363 -0.8363 -0.6591 -0.6591 -0.5753 -0.5753 -0.2361 -0.2361 0.0711 0.0711 0.1132 0.1132 0.1433 0.1433 0.1998 0.1998 6.9242 6.9242 k =-0.0789 0.0779 0.7352 ( 4770 PWs) bands (ev): -13.3266 -13.3266 -13.2522 -13.2522 -12.4795 -12.4795 -11.7085 -11.7085 -7.6543 -7.6543 -7.5547 -7.5547 -6.9970 -6.9970 -6.9410 -6.9410 -6.7622 -6.7622 -3.0287 -3.0287 -2.3192 -2.3192 -2.2545 -2.2545 -1.1491 -1.1491 -0.8610 -0.8610 -0.6591 -0.6591 -0.5889 -0.5889 -0.2153 -0.2153 0.0863 0.0863 0.1226 0.1226 0.1535 0.1535 0.2080 0.2080 6.9183 6.9183 k =-0.0921 0.0909 0.7352 ( 4774 PWs) bands (ev): -13.3255 -13.3255 -13.2531 -13.2531 -12.4783 -12.4783 -11.7101 -11.7101 -7.6537 -7.6537 -7.5547 -7.5547 -6.9967 -6.9967 -6.9394 -6.9394 -6.7622 -6.7622 -3.0360 -3.0360 -2.3274 -2.3274 -2.2624 -2.2624 -1.1390 -1.1390 -0.8881 -0.8881 -0.6587 -0.6587 -0.6028 -0.6028 -0.1931 -0.1931 0.0972 0.0972 0.1364 0.1364 0.1677 0.1677 0.2174 0.2174 6.9109 6.9109 k =-0.1053 0.1039 0.7352 ( 4770 PWs) bands (ev): -13.3244 -13.3244 -13.2541 -13.2541 -12.4769 -12.4769 -11.7119 -11.7119 -7.6531 -7.6531 -7.5546 -7.5546 -6.9964 -6.9964 -6.9376 -6.9376 -6.7622 -6.7622 -3.0444 -3.0444 -2.3366 -2.3366 -2.2713 -2.2713 -1.1274 -1.1274 -0.9170 -0.9170 -0.6580 -0.6580 -0.6163 -0.6163 -0.1700 -0.1700 0.1049 0.1049 0.1518 0.1518 0.1870 0.1870 0.2280 0.2280 6.9018 6.9018 k =-0.1184 0.1168 0.7352 ( 4762 PWs) bands (ev): -13.3231 -13.3231 -13.2552 -13.2552 -12.4755 -12.4755 -11.7138 -11.7138 -7.6524 -7.6524 -7.5545 -7.5545 -6.9960 -6.9960 -6.9355 -6.9355 -6.7623 -6.7623 -3.0539 -3.0539 -2.3468 -2.3468 -2.2811 -2.2811 -1.1144 -1.1144 -0.9473 -0.9473 -0.6571 -0.6571 -0.6290 -0.6290 -0.1463 -0.1463 0.1112 0.1112 0.1667 0.1667 0.2105 0.2105 0.2401 0.2401 6.8909 6.8909 k =-0.1316 0.1298 0.7352 ( 4754 PWs) bands (ev): -13.3217 -13.3217 -13.2565 -13.2565 -12.4739 -12.4739 -11.7159 -11.7159 -7.6517 -7.6517 -7.5544 -7.5544 -6.9956 -6.9956 -6.9333 -6.9333 -6.7623 -6.7623 -3.0644 -3.0644 -2.3578 -2.3578 -2.2918 -2.2918 -1.1002 -1.1002 -0.9787 -0.9787 -0.6560 -0.6560 -0.6404 -0.6404 -0.1225 -0.1225 0.1171 0.1171 0.1814 0.1814 0.2348 0.2348 0.2551 0.2551 6.8780 6.8780 k =-0.1447 0.1428 0.7352 ( 4756 PWs) bands (ev): -13.3201 -13.3201 -13.2578 -13.2578 -12.4722 -12.4722 -11.7180 -11.7180 -7.6510 -7.6510 -7.5544 -7.5544 -6.9953 -6.9953 -6.9310 -6.9310 -6.7623 -6.7623 -3.0758 -3.0758 -2.3696 -2.3696 -2.3032 -2.3032 -1.0848 -1.0848 -1.0106 -1.0106 -0.6554 -0.6554 -0.6496 -0.6496 -0.0988 -0.0988 0.1232 0.1232 0.1963 0.1963 0.2546 0.2546 0.2767 0.2767 6.8629 6.8629 k =-0.1579 0.1558 0.7352 ( 4760 PWs) bands (ev): -13.3185 -13.3185 -13.2593 -13.2593 -12.4705 -12.4705 -11.7202 -11.7202 -7.6503 -7.6503 -7.5543 -7.5543 -6.9950 -6.9950 -6.9285 -6.9285 -6.7624 -6.7624 -3.0882 -3.0882 -2.3821 -2.3821 -2.3152 -2.3152 -1.0683 -1.0683 -1.0430 -1.0430 -0.6600 -0.6600 -0.6517 -0.6517 -0.0753 -0.0753 0.1296 0.1296 0.2118 0.2118 0.2698 0.2698 0.3043 0.3043 6.8454 6.8454 k =-0.1711 0.1688 0.7352 ( 4768 PWs) bands (ev): -13.3168 -13.3168 -13.2608 -13.2608 -12.4687 -12.4687 -11.7224 -11.7224 -7.6496 -7.6496 -7.5543 -7.5543 -6.9948 -6.9948 -6.9260 -6.9260 -6.7625 -6.7625 -3.1015 -3.1015 -2.3952 -2.3952 -2.3278 -2.3278 -1.0755 -1.0755 -1.0507 -1.0507 -0.6661 -0.6661 -0.6504 -0.6504 -0.0523 -0.0523 0.1363 0.1363 0.2278 0.2278 0.2837 0.2837 0.3336 0.3336 6.8255 6.8255 k =-0.1842 0.1818 0.7352 ( 4764 PWs) bands (ev): -13.3150 -13.3150 -13.2624 -13.2624 -12.4670 -12.4670 -11.7246 -11.7246 -7.6489 -7.6489 -7.5542 -7.5542 -6.9944 -6.9944 -6.9234 -6.9234 -6.7626 -6.7626 -3.1156 -3.1156 -2.4087 -2.4087 -2.3408 -2.3408 -1.1080 -1.1080 -1.0322 -1.0322 -0.6704 -0.6704 -0.6485 -0.6485 -0.0297 -0.0297 0.1435 0.1435 0.2444 0.2444 0.2973 0.2973 0.3633 0.3633 6.8031 6.8031 k =-0.1974 0.1947 0.7352 ( 4762 PWs) bands (ev): -13.3131 -13.3131 -13.2640 -13.2640 -12.4652 -12.4652 -11.7268 -11.7268 -7.6481 -7.6481 -7.5541 -7.5541 -6.9942 -6.9942 -6.9207 -6.9207 -6.7627 -6.7627 -3.1303 -3.1303 -2.4226 -2.4226 -2.3542 -2.3542 -1.1403 -1.1403 -1.0130 -1.0130 -0.6726 -0.6726 -0.6466 -0.6466 -0.0079 -0.0079 0.1510 0.1510 0.2614 0.2614 0.3110 0.3110 0.3928 0.3928 6.7781 6.7781 k =-0.2105 0.2077 0.7352 ( 4766 PWs) bands (ev): -13.3112 -13.3112 -13.2657 -13.2657 -12.4635 -12.4635 -11.7289 -11.7289 -7.6474 -7.6474 -7.5540 -7.5540 -6.9939 -6.9939 -6.9181 -6.9181 -6.7629 -6.7629 -3.1456 -3.1456 -2.4368 -2.4368 -2.3678 -2.3678 -1.1721 -1.1721 -0.9930 -0.9930 -0.6728 -0.6728 -0.6445 -0.6445 0.0133 0.0133 0.1588 0.1588 0.2788 0.2788 0.3246 0.3246 0.4217 0.4217 6.7506 6.7506 k =-0.2237 0.2207 0.7352 ( 4782 PWs) bands (ev): -13.3092 -13.3092 -13.2674 -13.2674 -12.4618 -12.4618 -11.7309 -11.7309 -7.6468 -7.6468 -7.5539 -7.5539 -6.9937 -6.9937 -6.9156 -6.9156 -6.7631 -6.7631 -3.1614 -3.1614 -2.4511 -2.4511 -2.3816 -2.3816 -1.2035 -1.2035 -0.9725 -0.9725 -0.6710 -0.6710 -0.6423 -0.6423 0.0337 0.0337 0.1670 0.1670 0.2963 0.2963 0.3382 0.3382 0.4499 0.4499 6.7207 6.7207 k =-0.2368 0.2337 0.7352 ( 4790 PWs) bands (ev): -13.3072 -13.3072 -13.2691 -13.2691 -12.4602 -12.4602 -11.7327 -11.7327 -7.6462 -7.6462 -7.5538 -7.5538 -6.9935 -6.9935 -6.9130 -6.9130 -6.7633 -6.7633 -3.1775 -3.1775 -2.4655 -2.4655 -2.3954 -2.3954 -1.2342 -1.2342 -0.9515 -0.9515 -0.6671 -0.6671 -0.6401 -0.6401 0.0533 0.0533 0.1754 0.1754 0.3139 0.3139 0.3518 0.3518 0.4772 0.4772 6.6886 6.6886 k =-0.2500 0.2467 0.7352 ( 4774 PWs) bands (ev): -13.3052 -13.3052 -13.2709 -13.2709 -12.4587 -12.4587 -11.7344 -11.7344 -7.6455 -7.6455 -7.5536 -7.5536 -6.9932 -6.9932 -6.9104 -6.9104 -6.7635 -6.7635 -3.1939 -3.1939 -2.4798 -2.4798 -2.4091 -2.4091 -1.2642 -1.2642 -0.9303 -0.9303 -0.6614 -0.6614 -0.6379 -0.6379 0.0721 0.0721 0.1840 0.1840 0.3313 0.3313 0.3653 0.3653 0.5034 0.5034 6.6545 6.6545 k =-0.2632 0.2597 0.7352 ( 4770 PWs) bands (ev): -13.3032 -13.3032 -13.2726 -13.2726 -12.4572 -12.4572 -11.7360 -11.7360 -7.6449 -7.6449 -7.5535 -7.5535 -6.9929 -6.9929 -6.9079 -6.9079 -6.7637 -6.7637 -3.2103 -3.2103 -2.4941 -2.4941 -2.4227 -2.4227 -1.2933 -1.2933 -0.9088 -0.9088 -0.6539 -0.6539 -0.6357 -0.6357 0.0901 0.0901 0.1927 0.1927 0.3484 0.3484 0.3788 0.3788 0.5285 0.5285 6.6186 6.6186 k =-0.2763 0.2726 0.7352 ( 4778 PWs) bands (ev): -13.3012 -13.3012 -13.2744 -13.2744 -12.4559 -12.4559 -11.7374 -11.7374 -7.6444 -7.6444 -7.5534 -7.5534 -6.9928 -6.9928 -6.9056 -6.9056 -6.7639 -6.7639 -3.2267 -3.2267 -2.5080 -2.5080 -2.4361 -2.4361 -1.3213 -1.3213 -0.8874 -0.8874 -0.6448 -0.6448 -0.6335 -0.6335 0.1072 0.1072 0.2015 0.2015 0.3648 0.3648 0.3923 0.3923 0.5524 0.5524 6.5812 6.5812 k =-0.2895 0.2856 0.7352 ( 4782 PWs) bands (ev): -13.2992 -13.2992 -13.2761 -13.2761 -12.4547 -12.4547 -11.7387 -11.7387 -7.6440 -7.6440 -7.5532 -7.5532 -6.9926 -6.9926 -6.9035 -6.9035 -6.7641 -6.7641 -3.2430 -3.2430 -2.5217 -2.5217 -2.4492 -2.4492 -1.3483 -1.3483 -0.8661 -0.8661 -0.6344 -0.6344 -0.6313 -0.6313 0.1234 0.1234 0.2103 0.2103 0.3804 0.3804 0.4058 0.4058 0.5750 0.5750 6.5428 6.5428 k =-0.3026 0.2986 0.7352 ( 4778 PWs) bands (ev): -13.2972 -13.2972 -13.2777 -13.2777 -12.4536 -12.4536 -11.7397 -11.7397 -7.6435 -7.6435 -7.5531 -7.5531 -6.9924 -6.9924 -6.9014 -6.9014 -6.7644 -6.7644 -3.2590 -3.2590 -2.5350 -2.5350 -2.4619 -2.4619 -1.3741 -1.3741 -0.8450 -0.8450 -0.6292 -0.6292 -0.6227 -0.6227 0.1388 0.1388 0.2191 0.2191 0.3949 0.3949 0.4196 0.4196 0.5962 0.5962 6.5038 6.5038 k =-0.3158 0.3116 0.7352 ( 4792 PWs) bands (ev): -13.2954 -13.2954 -13.2794 -13.2794 -12.4527 -12.4527 -11.7406 -11.7406 -7.6432 -7.6432 -7.5530 -7.5530 -6.9923 -6.9923 -6.8995 -6.8995 -6.7647 -6.7647 -3.2745 -3.2745 -2.5477 -2.5477 -2.4741 -2.4741 -1.3987 -1.3987 -0.8244 -0.8244 -0.6272 -0.6272 -0.6101 -0.6101 0.1532 0.1532 0.2277 0.2277 0.4081 0.4081 0.4334 0.4334 0.6161 0.6161 6.4644 6.4644 k =-0.3289 0.3246 0.7352 ( 4796 PWs) bands (ev): -13.2935 -13.2935 -13.2809 -13.2809 -12.4518 -12.4518 -11.7414 -11.7414 -7.6429 -7.6429 -7.5529 -7.5529 -6.9922 -6.9922 -6.8978 -6.8978 -6.7650 -6.7650 -3.2895 -3.2895 -2.5600 -2.5600 -2.4858 -2.4858 -1.4219 -1.4219 -0.8043 -0.8043 -0.6252 -0.6252 -0.5969 -0.5969 0.1666 0.1666 0.2361 0.2361 0.4201 0.4201 0.4473 0.4473 0.6345 0.6345 6.4253 6.4253 k =-0.3421 0.3376 0.7352 ( 4796 PWs) bands (ev): -13.2918 -13.2918 -13.2824 -13.2824 -12.4511 -12.4511 -11.7420 -11.7420 -7.6427 -7.6427 -7.5527 -7.5527 -6.9921 -6.9921 -6.8962 -6.8962 -6.7652 -6.7652 -3.3038 -3.3038 -2.5716 -2.5716 -2.4969 -2.4969 -1.4437 -1.4437 -0.7849 -0.7849 -0.6235 -0.6235 -0.5831 -0.5831 0.1792 0.1792 0.2442 0.2442 0.4309 0.4309 0.4610 0.4610 0.6515 0.6515 6.3868 6.3868 k =-0.3553 0.3505 0.7352 ( 4788 PWs) bands (ev): -13.2901 -13.2901 -13.2838 -13.2838 -12.4505 -12.4505 -11.7424 -11.7424 -7.6423 -7.6423 -7.5525 -7.5525 -6.9919 -6.9919 -6.8946 -6.8946 -6.7655 -6.7655 -3.3174 -3.3174 -2.5825 -2.5825 -2.5073 -2.5073 -1.4640 -1.4640 -0.7664 -0.7664 -0.6218 -0.6218 -0.5692 -0.5692 0.1908 0.1908 0.2520 0.2520 0.4407 0.4407 0.4742 0.4742 0.6672 0.6672 6.3495 6.3495 k =-0.3684 0.3635 0.7352 ( 4784 PWs) bands (ev): -13.2886 -13.2886 -13.2852 -13.2852 -12.4499 -12.4499 -11.7427 -11.7427 -7.6421 -7.6421 -7.5524 -7.5524 -6.9918 -6.9918 -6.8933 -6.8933 -6.7657 -6.7657 -3.3302 -3.3302 -2.5926 -2.5926 -2.5170 -2.5170 -1.4827 -1.4827 -0.7489 -0.7489 -0.6203 -0.6203 -0.5553 -0.5553 0.2015 0.2015 0.2594 0.2594 0.4494 0.4494 0.4867 0.4867 0.6813 0.6813 6.3137 6.3137 k =-0.3816 0.3765 0.7352 ( 4782 PWs) bands (ev): -13.2871 -13.2871 -13.2864 -13.2864 -12.4495 -12.4495 -11.7429 -11.7429 -7.6419 -7.6419 -7.5522 -7.5522 -6.9917 -6.9917 -6.8921 -6.8921 -6.7660 -6.7660 -3.3419 -3.3419 -2.6020 -2.6020 -2.5259 -2.5259 -1.4999 -1.4999 -0.7324 -0.7324 -0.6191 -0.6191 -0.5418 -0.5418 0.2112 0.2112 0.2663 0.2663 0.4572 0.4572 0.4984 0.4984 0.6941 0.6941 6.2798 6.2798 k =-0.3947 0.3895 0.7352 ( 4782 PWs) bands (ev): -13.2875 -13.2875 -13.2858 -13.2858 -12.4492 -12.4492 -11.7430 -11.7430 -7.6418 -7.6418 -7.5521 -7.5521 -6.9916 -6.9916 -6.8911 -6.8911 -6.7662 -6.7662 -3.3527 -3.3527 -2.6105 -2.6105 -2.5341 -2.5341 -1.5153 -1.5153 -0.7172 -0.7172 -0.6180 -0.6180 -0.5289 -0.5289 0.2199 0.2199 0.2727 0.2727 0.4642 0.4642 0.5091 0.5091 0.7054 0.7054 6.2484 6.2484 k =-0.4079 0.4025 0.7352 ( 4790 PWs) bands (ev): -13.2885 -13.2885 -13.2846 -13.2846 -12.4489 -12.4489 -11.7431 -11.7431 -7.6417 -7.6417 -7.5521 -7.5521 -6.9916 -6.9916 -6.8902 -6.8902 -6.7665 -6.7665 -3.3624 -3.3624 -2.6181 -2.6181 -2.5413 -2.5413 -1.5291 -1.5291 -0.7033 -0.7033 -0.6172 -0.6172 -0.5168 -0.5168 0.2276 0.2276 0.2785 0.2785 0.4703 0.4703 0.5188 0.5188 0.7153 0.7153 6.2196 6.2196 k =-0.4211 0.4155 0.7352 ( 4790 PWs) bands (ev): -13.2894 -13.2894 -13.2836 -13.2836 -12.4487 -12.4487 -11.7431 -11.7431 -7.6416 -7.6416 -7.5520 -7.5520 -6.9916 -6.9916 -6.8895 -6.8895 -6.7667 -6.7667 -3.3709 -3.3709 -2.6248 -2.6248 -2.5477 -2.5477 -1.5411 -1.5411 -0.6908 -0.6908 -0.6167 -0.6167 -0.5058 -0.5058 0.2343 0.2343 0.2836 0.2836 0.4756 0.4756 0.5273 0.5273 0.7239 0.7239 6.1940 6.1940 k =-0.4342 0.4284 0.7352 ( 4798 PWs) bands (ev): -13.2902 -13.2902 -13.2827 -13.2827 -12.4485 -12.4485 -11.7431 -11.7431 -7.6415 -7.6415 -7.5520 -7.5520 -6.9916 -6.9916 -6.8889 -6.8889 -6.7669 -6.7669 -3.3781 -3.3781 -2.6305 -2.6305 -2.5531 -2.5531 -1.5514 -1.5514 -0.6799 -0.6799 -0.6164 -0.6164 -0.4961 -0.4961 0.2399 0.2399 0.2880 0.2880 0.4800 0.4800 0.5346 0.5346 0.7310 0.7310 6.1718 6.1718 k =-0.4474 0.4414 0.7352 ( 4800 PWs) bands (ev): -13.2908 -13.2908 -13.2819 -13.2819 -12.4484 -12.4484 -11.7430 -11.7430 -7.6415 -7.6415 -7.5519 -7.5519 -6.9916 -6.9916 -6.8883 -6.8883 -6.7671 -6.7671 -3.3841 -3.3841 -2.6352 -2.6352 -2.5576 -2.5576 -1.5598 -1.5598 -0.6706 -0.6706 -0.6165 -0.6165 -0.4879 -0.4879 0.2446 0.2446 0.2917 0.2917 0.4836 0.4836 0.5407 0.5407 0.7369 0.7369 6.1532 6.1532 k =-0.4605 0.4544 0.7352 ( 4804 PWs) bands (ev): -13.2913 -13.2913 -13.2814 -13.2814 -12.4483 -12.4483 -11.7429 -11.7429 -7.6415 -7.6415 -7.5519 -7.5519 -6.9916 -6.9916 -6.8880 -6.8880 -6.7672 -6.7672 -3.3889 -3.3889 -2.6389 -2.6389 -2.5612 -2.5612 -1.5663 -1.5663 -0.6631 -0.6631 -0.6167 -0.6167 -0.4813 -0.4813 0.2482 0.2482 0.2946 0.2946 0.4865 0.4865 0.5454 0.5454 0.7414 0.7414 6.1385 6.1385 k =-0.4737 0.4674 0.7352 ( 4804 PWs) bands (ev): -13.2916 -13.2916 -13.2809 -13.2809 -12.4483 -12.4483 -11.7429 -11.7429 -7.6415 -7.6415 -7.5518 -7.5518 -6.9915 -6.9915 -6.8878 -6.8878 -6.7673 -6.7673 -3.3923 -3.3923 -2.6416 -2.6416 -2.5637 -2.5637 -1.5711 -1.5711 -0.6575 -0.6575 -0.6170 -0.6170 -0.4766 -0.4766 0.2508 0.2508 0.2968 0.2968 0.4885 0.4885 0.5488 0.5488 0.7446 0.7446 6.1279 6.1279 k =-0.4868 0.4804 0.7352 ( 4808 PWs) bands (ev): -13.2919 -13.2919 -13.2807 -13.2807 -12.4482 -12.4482 -11.7429 -11.7429 -7.6415 -7.6415 -7.5518 -7.5518 -6.9915 -6.9915 -6.8877 -6.8877 -6.7674 -6.7674 -3.3943 -3.3943 -2.6432 -2.6432 -2.5652 -2.5652 -1.5739 -1.5739 -0.6539 -0.6539 -0.6174 -0.6174 -0.4737 -0.4737 0.2524 0.2524 0.2980 0.2980 0.4897 0.4897 0.5509 0.5509 0.7465 0.7465 6.1215 6.1215 k =-0.5000 0.4934 0.7352 ( 4816 PWs) bands (ev): -13.2919 -13.2919 -13.2806 -13.2806 -12.4482 -12.4482 -11.7428 -11.7428 -7.6415 -7.6415 -7.5518 -7.5518 -6.9916 -6.9916 -6.8877 -6.8877 -6.7674 -6.7674 -3.3950 -3.3950 -2.6437 -2.6437 -2.5657 -2.5657 -1.5748 -1.5748 -0.6527 -0.6527 -0.6175 -0.6175 -0.4727 -0.4727 0.2529 0.2529 0.2984 0.2984 0.4901 0.4901 0.5516 0.5516 0.7471 0.7471 6.1194 6.1194 Writing output data file CdxNClx2.save init_run : 0.66s CPU 0.93s WALL ( 1 calls) electrons : 110.26s CPU 113.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 110.25s CPU 113.72s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.20s CPU 0.30s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.09s WALL ( 380 calls) cegterg : 99.62s CPU 101.26s WALL ( 380 calls) Called by sum_band: Called by *egterg: h_psi : 57.37s CPU 58.61s WALL ( 6845 calls) s_psi : 4.06s CPU 4.00s WALL ( 6845 calls) g_psi : 0.22s CPU 0.22s WALL ( 6085 calls) cdiaghg : 33.18s CPU 33.89s WALL ( 6465 calls) cegterg:over : 4.66s CPU 4.58s WALL ( 6085 calls) cegterg:upda : 3.72s CPU 3.89s WALL ( 6085 calls) cegterg:last : 2.25s CPU 2.24s WALL ( 1140 calls) cdiaghg:chol : 1.82s CPU 1.91s WALL ( 6465 calls) cdiaghg:inve : 1.05s CPU 1.08s WALL ( 6465 calls) cdiaghg:para : 1.83s CPU 1.91s WALL ( 12930 calls) Called by h_psi: h_psi:vloc : 48.68s CPU 49.78s WALL ( 6845 calls) h_psi:vnl : 8.52s CPU 8.64s WALL ( 6845 calls) add_vuspsi : 4.29s CPU 4.41s WALL ( 6845 calls) General routines calbec : 4.21s CPU 4.21s WALL ( 6845 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 42.12s CPU 42.94s WALL ( 640136 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.24s WALL ( 760 calls) Parallel routines fft_scatter : 18.77s CPU 19.28s WALL ( 640159 calls) PWSCF : 2m 8.04s CPU 2m24.43s WALL This run was terminated on: 16:47:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=