Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:16:56 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: ./AgCl.save/ 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 32 26 8 754 558 93 Max 33 27 10 756 571 94 Sum 1153 949 293 27163 20325 3381 bravais-lattice index = 14 lattice parameter (alat) = 8.0219 a.u. unit-cell volume = 480.9483 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 224.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.021887 celldm(2)= 1.000000 celldm(3)= 0.931684 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.931684 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.073325 ) PseudoPot. # 1 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. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Ag 11.00 107.86820 Ag( 1.00) 16 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 = 3 180 deg rotation - cart. axis [0,1,0] 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 = 4 180 deg rotation - cart. axis [1,0,0] 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 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 387 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0025840 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0025840 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0025840 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0025840 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0025840 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0025840 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0025840 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0025840 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0025840 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0025840 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0025840 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0025840 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0025840 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0025840 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0025840 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0025840 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0025840 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0025840 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0025840 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0025840 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0025840 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0025840 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0025840 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0025840 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0025840 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0025840 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0025840 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0025840 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0025840 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0025840 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0025840 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0025840 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0025840 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0025840 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0025840 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0025840 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0025840 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025840 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025840 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0025840 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0025840 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0025840 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0025840 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0025840 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0025840 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0025840 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0025840 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0025840 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0025840 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0025840 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0025840 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0025840 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0025840 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0025840 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0025840 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0025840 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0025840 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0025840 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0025840 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0025840 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0025840 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0025840 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0025840 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0025840 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0025840 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0025840 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0025840 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0025840 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0025840 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0025840 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0025840 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0025840 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0025840 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0025840 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0025840 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0025840 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025840 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025840 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0025840 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0025840 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0025840 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0025840 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0025840 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0025840 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0025840 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0025840 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0025840 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0025840 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0025840 k( 91) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0025840 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0025840 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0025840 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0025840 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0025840 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0025840 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0025840 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0025840 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0025840 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0025840 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0025840 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0025840 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0025840 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0025840 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0025840 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0025840 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0025840 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0025840 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0025840 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0025840 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0025840 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0025840 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0025840 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0025840 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0025840 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0025840 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0025840 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0025840 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0025840 k( 120) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0025840 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0025840 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0025840 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0025840 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0025840 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0025840 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0025840 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0025840 k( 128) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0025840 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0025840 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0025840 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0025840 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 134) = ( 0.0000000 0.0000000 0.0134166), wk = 0.0025840 k( 135) = ( 0.0000000 0.0000000 0.0268331), wk = 0.0025840 k( 136) = ( 0.0000000 0.0000000 0.0402497), wk = 0.0025840 k( 137) = ( 0.0000000 0.0000000 0.0536662), wk = 0.0025840 k( 138) = ( 0.0000000 0.0000000 0.0670828), wk = 0.0025840 k( 139) = ( 0.0000000 0.0000000 0.0804994), wk = 0.0025840 k( 140) = ( 0.0000000 0.0000000 0.0939159), wk = 0.0025840 k( 141) = ( 0.0000000 0.0000000 0.1073325), wk = 0.0025840 k( 142) = ( 0.0000000 0.0000000 0.1207491), wk = 0.0025840 k( 143) = ( 0.0000000 0.0000000 0.1341656), wk = 0.0025840 k( 144) = ( 0.0000000 0.0000000 0.1475822), wk = 0.0025840 k( 145) = ( 0.0000000 0.0000000 0.1609987), wk = 0.0025840 k( 146) = ( 0.0000000 0.0000000 0.1744153), wk = 0.0025840 k( 147) = ( 0.0000000 0.0000000 0.1878319), wk = 0.0025840 k( 148) = ( 0.0000000 0.0000000 0.2012484), wk = 0.0025840 k( 149) = ( 0.0000000 0.0000000 0.2146650), wk = 0.0025840 k( 150) = ( 0.0000000 0.0000000 0.2280815), wk = 0.0025840 k( 151) = ( 0.0000000 0.0000000 0.2414981), wk = 0.0025840 k( 152) = ( 0.0000000 0.0000000 0.2549147), wk = 0.0025840 k( 153) = ( 0.0000000 0.0000000 0.2683312), wk = 0.0025840 k( 154) = ( 0.0000000 0.0000000 0.2817478), wk = 0.0025840 k( 155) = ( 0.0000000 0.0000000 0.2951643), wk = 0.0025840 k( 156) = ( 0.0000000 0.0000000 0.3085809), wk = 0.0025840 k( 157) = ( 0.0000000 0.0000000 0.3219975), wk = 0.0025840 k( 158) = ( 0.0000000 0.0000000 0.3354140), wk = 0.0025840 k( 159) = ( 0.0000000 0.0000000 0.3488306), wk = 0.0025840 k( 160) = ( 0.0000000 0.0000000 0.3622472), wk = 0.0025840 k( 161) = ( 0.0000000 0.0000000 0.3756637), wk = 0.0025840 k( 162) = ( 0.0000000 0.0000000 0.3890803), wk = 0.0025840 k( 163) = ( 0.0000000 0.0000000 0.4024968), wk = 0.0025840 k( 164) = ( 0.0000000 0.0000000 0.4159134), wk = 0.0025840 k( 165) = ( 0.0000000 0.0000000 0.4293300), wk = 0.0025840 k( 166) = ( 0.0000000 0.0000000 0.4427465), wk = 0.0025840 k( 167) = ( 0.0000000 0.0000000 0.4561631), wk = 0.0025840 k( 168) = ( 0.0000000 0.0000000 0.4695796), wk = 0.0025840 k( 169) = ( 0.0000000 0.0000000 0.4829962), wk = 0.0025840 k( 170) = ( 0.0000000 0.0000000 0.4964128), wk = 0.0025840 k( 171) = ( 0.0000000 0.0000000 0.5098293), wk = 0.0025840 k( 172) = ( 0.0000000 0.0000000 0.5232459), wk = 0.0025840 k( 173) = ( 0.0000000 0.0000000 0.5366625), wk = 0.0025840 k( 174) = ( 0.0000000 0.0000000 0.5366625), wk = 0.0025840 k( 175) = ( 0.0000000 0.0131579 0.5366625), wk = 0.0025840 k( 176) = ( 0.0000000 0.0263158 0.5366625), wk = 0.0025840 k( 177) = ( 0.0000000 0.0394737 0.5366625), wk = 0.0025840 k( 178) = ( 0.0000000 0.0526316 0.5366625), wk = 0.0025840 k( 179) = ( 0.0000000 0.0657895 0.5366625), wk = 0.0025840 k( 180) = ( 0.0000000 0.0789474 0.5366625), wk = 0.0025840 k( 181) = ( 0.0000000 0.0921053 0.5366625), wk = 0.0025840 k( 182) = ( 0.0000000 0.1052632 0.5366625), wk = 0.0025840 k( 183) = ( 0.0000000 0.1184210 0.5366625), wk = 0.0025840 k( 184) = ( 0.0000000 0.1315790 0.5366625), wk = 0.0025840 k( 185) = ( 0.0000000 0.1447368 0.5366625), wk = 0.0025840 k( 186) = ( 0.0000000 0.1578947 0.5366625), wk = 0.0025840 k( 187) = ( 0.0000000 0.1710526 0.5366625), wk = 0.0025840 k( 188) = ( 0.0000000 0.1842105 0.5366625), wk = 0.0025840 k( 189) = ( 0.0000000 0.1973684 0.5366625), wk = 0.0025840 k( 190) = ( 0.0000000 0.2105263 0.5366625), wk = 0.0025840 k( 191) = ( 0.0000000 0.2236842 0.5366625), wk = 0.0025840 k( 192) = ( 0.0000000 0.2368421 0.5366625), wk = 0.0025840 k( 193) = ( 0.0000000 0.2500000 0.5366625), wk = 0.0025840 k( 194) = ( 0.0000000 0.2631579 0.5366625), wk = 0.0025840 k( 195) = ( 0.0000000 0.2763158 0.5366625), wk = 0.0025840 k( 196) = ( 0.0000000 0.2894737 0.5366625), wk = 0.0025840 k( 197) = ( 0.0000000 0.3026316 0.5366625), wk = 0.0025840 k( 198) = ( 0.0000000 0.3157895 0.5366625), wk = 0.0025840 k( 199) = ( 0.0000000 0.3289474 0.5366625), wk = 0.0025840 k( 200) = ( 0.0000000 0.3421053 0.5366625), wk = 0.0025840 k( 201) = ( 0.0000000 0.3552632 0.5366625), wk = 0.0025840 k( 202) = ( 0.0000000 0.3684211 0.5366625), wk = 0.0025840 k( 203) = ( 0.0000000 0.3815789 0.5366625), wk = 0.0025840 k( 204) = ( 0.0000000 0.3947368 0.5366625), wk = 0.0025840 k( 205) = ( 0.0000000 0.4078947 0.5366625), wk = 0.0025840 k( 206) = ( 0.0000000 0.4210526 0.5366625), wk = 0.0025840 k( 207) = ( 0.0000000 0.4342105 0.5366625), wk = 0.0025840 k( 208) = ( 0.0000000 0.4473684 0.5366625), wk = 0.0025840 k( 209) = ( 0.0000000 0.4605263 0.5366625), wk = 0.0025840 k( 210) = ( 0.0000000 0.4736842 0.5366625), wk = 0.0025840 k( 211) = ( 0.0000000 0.4868421 0.5366625), wk = 0.0025840 k( 212) = ( 0.0000000 0.5000000 0.5366625), wk = 0.0025840 k( 213) = ( 0.0000000 0.5000000 0.5366625), wk = 0.0025840 k( 214) = ( 0.0131579 0.5000000 0.5366625), wk = 0.0025840 k( 215) = ( 0.0263158 0.5000000 0.5366625), wk = 0.0025840 k( 216) = ( 0.0394737 0.5000000 0.5366625), wk = 0.0025840 k( 217) = ( 0.0526316 0.5000000 0.5366625), wk = 0.0025840 k( 218) = ( 0.0657895 0.5000000 0.5366625), wk = 0.0025840 k( 219) = ( 0.0789474 0.5000000 0.5366625), wk = 0.0025840 k( 220) = ( 0.0921053 0.5000000 0.5366625), wk = 0.0025840 k( 221) = ( 0.1052632 0.5000000 0.5366625), wk = 0.0025840 k( 222) = ( 0.1184210 0.5000000 0.5366625), wk = 0.0025840 k( 223) = ( 0.1315790 0.5000000 0.5366625), wk = 0.0025840 k( 224) = ( 0.1447368 0.5000000 0.5366625), wk = 0.0025840 k( 225) = ( 0.1578947 0.5000000 0.5366625), wk = 0.0025840 k( 226) = ( 0.1710526 0.5000000 0.5366625), wk = 0.0025840 k( 227) = ( 0.1842105 0.5000000 0.5366625), wk = 0.0025840 k( 228) = ( 0.1973684 0.5000000 0.5366625), wk = 0.0025840 k( 229) = ( 0.2105263 0.5000000 0.5366625), wk = 0.0025840 k( 230) = ( 0.2236842 0.5000000 0.5366625), wk = 0.0025840 k( 231) = ( 0.2368421 0.5000000 0.5366625), wk = 0.0025840 k( 232) = ( 0.2500000 0.5000000 0.5366625), wk = 0.0025840 k( 233) = ( 0.2631579 0.5000000 0.5366625), wk = 0.0025840 k( 234) = ( 0.2763158 0.5000000 0.5366625), wk = 0.0025840 k( 235) = ( 0.2894737 0.5000000 0.5366625), wk = 0.0025840 k( 236) = ( 0.3026316 0.5000000 0.5366625), wk = 0.0025840 k( 237) = ( 0.3157895 0.5000000 0.5366625), wk = 0.0025840 k( 238) = ( 0.3289474 0.5000000 0.5366625), wk = 0.0025840 k( 239) = ( 0.3421053 0.5000000 0.5366625), wk = 0.0025840 k( 240) = ( 0.3552632 0.5000000 0.5366625), wk = 0.0025840 k( 241) = ( 0.3684211 0.5000000 0.5366625), wk = 0.0025840 k( 242) = ( 0.3815789 0.5000000 0.5366625), wk = 0.0025840 k( 243) = ( 0.3947368 0.5000000 0.5366625), wk = 0.0025840 k( 244) = ( 0.4078947 0.5000000 0.5366625), wk = 0.0025840 k( 245) = ( 0.4210526 0.5000000 0.5366625), wk = 0.0025840 k( 246) = ( 0.4342105 0.5000000 0.5366625), wk = 0.0025840 k( 247) = ( 0.4473684 0.5000000 0.5366625), wk = 0.0025840 k( 248) = ( 0.4605263 0.5000000 0.5366625), wk = 0.0025840 k( 249) = ( 0.4736842 0.5000000 0.5366625), wk = 0.0025840 k( 250) = ( 0.4868421 0.5000000 0.5366625), wk = 0.0025840 k( 251) = ( 0.5000000 0.5000000 0.5366625), wk = 0.0025840 k( 252) = ( 0.5000000 0.5000000 0.5366625), wk = 0.0025840 k( 253) = ( 0.4905660 0.4905660 0.5366625), wk = 0.0025840 k( 254) = ( 0.4811321 0.4811321 0.5366625), wk = 0.0025840 k( 255) = ( 0.4716981 0.4716981 0.5366625), wk = 0.0025840 k( 256) = ( 0.4622641 0.4622641 0.5366625), wk = 0.0025840 k( 257) = ( 0.4528302 0.4528302 0.5366625), wk = 0.0025840 k( 258) = ( 0.4433962 0.4433962 0.5366625), wk = 0.0025840 k( 259) = ( 0.4339623 0.4339623 0.5366625), wk = 0.0025840 k( 260) = ( 0.4245283 0.4245283 0.5366625), wk = 0.0025840 k( 261) = ( 0.4150943 0.4150943 0.5366625), wk = 0.0025840 k( 262) = ( 0.4056604 0.4056604 0.5366625), wk = 0.0025840 k( 263) = ( 0.3962264 0.3962264 0.5366625), wk = 0.0025840 k( 264) = ( 0.3867925 0.3867924 0.5366625), wk = 0.0025840 k( 265) = ( 0.3773585 0.3773585 0.5366625), wk = 0.0025840 k( 266) = ( 0.3679245 0.3679245 0.5366625), wk = 0.0025840 k( 267) = ( 0.3584906 0.3584906 0.5366625), wk = 0.0025840 k( 268) = ( 0.3490566 0.3490566 0.5366625), wk = 0.0025840 k( 269) = ( 0.3396226 0.3396226 0.5366625), wk = 0.0025840 k( 270) = ( 0.3301887 0.3301887 0.5366625), wk = 0.0025840 k( 271) = ( 0.3207547 0.3207547 0.5366625), wk = 0.0025840 k( 272) = ( 0.3113207 0.3113207 0.5366625), wk = 0.0025840 k( 273) = ( 0.3018868 0.3018868 0.5366625), wk = 0.0025840 k( 274) = ( 0.2924528 0.2924528 0.5366625), wk = 0.0025840 k( 275) = ( 0.2830189 0.2830189 0.5366625), wk = 0.0025840 k( 276) = ( 0.2735849 0.2735849 0.5366625), wk = 0.0025840 k( 277) = ( 0.2641509 0.2641509 0.5366625), wk = 0.0025840 k( 278) = ( 0.2547170 0.2547170 0.5366625), wk = 0.0025840 k( 279) = ( 0.2452830 0.2452830 0.5366625), wk = 0.0025840 k( 280) = ( 0.2358491 0.2358491 0.5366625), wk = 0.0025840 k( 281) = ( 0.2264151 0.2264151 0.5366625), wk = 0.0025840 k( 282) = ( 0.2169811 0.2169811 0.5366625), wk = 0.0025840 k( 283) = ( 0.2075472 0.2075472 0.5366625), wk = 0.0025840 k( 284) = ( 0.1981132 0.1981132 0.5366625), wk = 0.0025840 k( 285) = ( 0.1886792 0.1886792 0.5366625), wk = 0.0025840 k( 286) = ( 0.1792453 0.1792453 0.5366625), wk = 0.0025840 k( 287) = ( 0.1698113 0.1698113 0.5366625), wk = 0.0025840 k( 288) = ( 0.1603774 0.1603774 0.5366625), wk = 0.0025840 k( 289) = ( 0.1509434 0.1509434 0.5366625), wk = 0.0025840 k( 290) = ( 0.1415094 0.1415094 0.5366625), wk = 0.0025840 k( 291) = ( 0.1320755 0.1320755 0.5366625), wk = 0.0025840 k( 292) = ( 0.1226415 0.1226415 0.5366625), wk = 0.0025840 k( 293) = ( 0.1132076 0.1132075 0.5366625), wk = 0.0025840 k( 294) = ( 0.1037736 0.1037736 0.5366625), wk = 0.0025840 k( 295) = ( 0.0943396 0.0943396 0.5366625), wk = 0.0025840 k( 296) = ( 0.0849057 0.0849057 0.5366625), wk = 0.0025840 k( 297) = ( 0.0754717 0.0754717 0.5366625), wk = 0.0025840 k( 298) = ( 0.0660377 0.0660377 0.5366625), wk = 0.0025840 k( 299) = ( 0.0566038 0.0566038 0.5366625), wk = 0.0025840 k( 300) = ( 0.0471698 0.0471698 0.5366625), wk = 0.0025840 k( 301) = ( 0.0377359 0.0377358 0.5366625), wk = 0.0025840 k( 302) = ( 0.0283019 0.0283019 0.5366625), wk = 0.0025840 k( 303) = ( 0.0188679 0.0188679 0.5366625), wk = 0.0025840 k( 304) = ( 0.0094340 0.0094340 0.5366625), wk = 0.0025840 k( 305) = ( 0.0000000 0.0000000 0.5366625), wk = 0.0025840 k( 306) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025840 k( 307) = ( 0.0000000 0.5000000 0.0134166), wk = 0.0025840 k( 308) = ( 0.0000000 0.5000000 0.0268331), wk = 0.0025840 k( 309) = ( 0.0000000 0.5000000 0.0402497), wk = 0.0025840 k( 310) = ( 0.0000000 0.5000000 0.0536662), wk = 0.0025840 k( 311) = ( 0.0000000 0.5000000 0.0670828), wk = 0.0025840 k( 312) = ( 0.0000000 0.5000000 0.0804994), wk = 0.0025840 k( 313) = ( 0.0000000 0.5000000 0.0939159), wk = 0.0025840 k( 314) = ( 0.0000000 0.5000000 0.1073325), wk = 0.0025840 k( 315) = ( 0.0000000 0.5000000 0.1207491), wk = 0.0025840 k( 316) = ( 0.0000000 0.5000000 0.1341656), wk = 0.0025840 k( 317) = ( 0.0000000 0.5000000 0.1475822), wk = 0.0025840 k( 318) = ( 0.0000000 0.5000000 0.1609987), wk = 0.0025840 k( 319) = ( 0.0000000 0.5000000 0.1744153), wk = 0.0025840 k( 320) = ( 0.0000000 0.5000000 0.1878319), wk = 0.0025840 k( 321) = ( 0.0000000 0.5000000 0.2012484), wk = 0.0025840 k( 322) = ( 0.0000000 0.5000000 0.2146650), wk = 0.0025840 k( 323) = ( 0.0000000 0.5000000 0.2280815), wk = 0.0025840 k( 324) = ( 0.0000000 0.5000000 0.2414981), wk = 0.0025840 k( 325) = ( 0.0000000 0.5000000 0.2549147), wk = 0.0025840 k( 326) = ( 0.0000000 0.5000000 0.2683312), wk = 0.0025840 k( 327) = ( 0.0000000 0.5000000 0.2817478), wk = 0.0025840 k( 328) = ( 0.0000000 0.5000000 0.2951643), wk = 0.0025840 k( 329) = ( 0.0000000 0.5000000 0.3085809), wk = 0.0025840 k( 330) = ( 0.0000000 0.5000000 0.3219975), wk = 0.0025840 k( 331) = ( 0.0000000 0.5000000 0.3354140), wk = 0.0025840 k( 332) = ( 0.0000000 0.5000000 0.3488306), wk = 0.0025840 k( 333) = ( 0.0000000 0.5000000 0.3622472), wk = 0.0025840 k( 334) = ( 0.0000000 0.5000000 0.3756637), wk = 0.0025840 k( 335) = ( 0.0000000 0.5000000 0.3890803), wk = 0.0025840 k( 336) = ( 0.0000000 0.5000000 0.4024968), wk = 0.0025840 k( 337) = ( 0.0000000 0.5000000 0.4159134), wk = 0.0025840 k( 338) = ( 0.0000000 0.5000000 0.4293300), wk = 0.0025840 k( 339) = ( 0.0000000 0.5000000 0.4427465), wk = 0.0025840 k( 340) = ( 0.0000000 0.5000000 0.4561631), wk = 0.0025840 k( 341) = ( 0.0000000 0.5000000 0.4695796), wk = 0.0025840 k( 342) = ( 0.0000000 0.5000000 0.4829962), wk = 0.0025840 k( 343) = ( 0.0000000 0.5000000 0.4964128), wk = 0.0025840 k( 344) = ( 0.0000000 0.5000000 0.5098293), wk = 0.0025840 k( 345) = ( 0.0000000 0.5000000 0.5232459), wk = 0.0025840 k( 346) = ( 0.0000000 0.5000000 0.5366625), wk = 0.0025840 k( 347) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025840 k( 348) = ( 0.5000000 0.5000000 0.0134166), wk = 0.0025840 k( 349) = ( 0.5000000 0.5000000 0.0268331), wk = 0.0025840 k( 350) = ( 0.5000000 0.5000000 0.0402497), wk = 0.0025840 k( 351) = ( 0.5000000 0.5000000 0.0536662), wk = 0.0025840 k( 352) = ( 0.5000000 0.5000000 0.0670828), wk = 0.0025840 k( 353) = ( 0.5000000 0.5000000 0.0804994), wk = 0.0025840 k( 354) = ( 0.5000000 0.5000000 0.0939159), wk = 0.0025840 k( 355) = ( 0.5000000 0.5000000 0.1073325), wk = 0.0025840 k( 356) = ( 0.5000000 0.5000000 0.1207491), wk = 0.0025840 k( 357) = ( 0.5000000 0.5000000 0.1341656), wk = 0.0025840 k( 358) = ( 0.5000000 0.5000000 0.1475822), wk = 0.0025840 k( 359) = ( 0.5000000 0.5000000 0.1609987), wk = 0.0025840 k( 360) = ( 0.5000000 0.5000000 0.1744153), wk = 0.0025840 k( 361) = ( 0.5000000 0.5000000 0.1878319), wk = 0.0025840 k( 362) = ( 0.5000000 0.5000000 0.2012484), wk = 0.0025840 k( 363) = ( 0.5000000 0.5000000 0.2146650), wk = 0.0025840 k( 364) = ( 0.5000000 0.5000000 0.2280815), wk = 0.0025840 k( 365) = ( 0.5000000 0.5000000 0.2414981), wk = 0.0025840 k( 366) = ( 0.5000000 0.5000000 0.2549147), wk = 0.0025840 k( 367) = ( 0.5000000 0.5000000 0.2683312), wk = 0.0025840 k( 368) = ( 0.5000000 0.5000000 0.2817478), wk = 0.0025840 k( 369) = ( 0.5000000 0.5000000 0.2951643), wk = 0.0025840 k( 370) = ( 0.5000000 0.5000000 0.3085809), wk = 0.0025840 k( 371) = ( 0.5000000 0.5000000 0.3219975), wk = 0.0025840 k( 372) = ( 0.5000000 0.5000000 0.3354140), wk = 0.0025840 k( 373) = ( 0.5000000 0.5000000 0.3488306), wk = 0.0025840 k( 374) = ( 0.5000000 0.5000000 0.3622472), wk = 0.0025840 k( 375) = ( 0.5000000 0.5000000 0.3756637), wk = 0.0025840 k( 376) = ( 0.5000000 0.5000000 0.3890803), wk = 0.0025840 k( 377) = ( 0.5000000 0.5000000 0.4024968), wk = 0.0025840 k( 378) = ( 0.5000000 0.5000000 0.4159134), wk = 0.0025840 k( 379) = ( 0.5000000 0.5000000 0.4293300), wk = 0.0025840 k( 380) = ( 0.5000000 0.5000000 0.4427465), wk = 0.0025840 k( 381) = ( 0.5000000 0.5000000 0.4561631), wk = 0.0025840 k( 382) = ( 0.5000000 0.5000000 0.4695796), wk = 0.0025840 k( 383) = ( 0.5000000 0.5000000 0.4829962), wk = 0.0025840 k( 384) = ( 0.5000000 0.5000000 0.4964128), wk = 0.0025840 k( 385) = ( 0.5000000 0.5000000 0.5098293), wk = 0.0025840 k( 386) = ( 0.5000000 0.5000000 0.5232459), wk = 0.0025840 k( 387) = ( 0.5000000 0.5000000 0.5366625), wk = 0.0025840 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0025840 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0025840 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0025840 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0025840 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0025840 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0025840 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0025840 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0025840 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0025840 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0025840 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0025840 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0025840 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0025840 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0025840 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0025840 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0025840 k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0025840 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0025840 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0025840 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0025840 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0025840 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0025840 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0025840 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0025840 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0025840 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0025840 k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0025840 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0025840 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0025840 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0025840 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0025840 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0025840 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0025840 k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0025840 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0025840 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0025840 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0025840 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025840 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025840 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0025840 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0025840 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0025840 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0025840 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0025840 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0025840 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0025840 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0025840 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0025840 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0025840 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0025840 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0025840 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0025840 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0025840 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0025840 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0025840 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0025840 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0025840 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0025840 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0025840 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0025840 k( 62) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0025840 k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0025840 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0025840 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0025840 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0025840 k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0025840 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0025840 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0025840 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0025840 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0025840 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0025840 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0025840 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0025840 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0025840 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0025840 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0025840 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025840 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025840 k( 80) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0025840 k( 81) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0025840 k( 82) = ( 0.4716981 0.4716981 0.0000000), wk = 0.0025840 k( 83) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0025840 k( 84) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0025840 k( 85) = ( 0.4433962 0.4433962 0.0000000), wk = 0.0025840 k( 86) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0025840 k( 87) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0025840 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0025840 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0025840 k( 90) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0025840 k( 91) = ( 0.3867925 0.3867925 0.0000000), wk = 0.0025840 k( 92) = ( 0.3773585 0.3773585 0.0000000), wk = 0.0025840 k( 93) = ( 0.3679245 0.3679245 0.0000000), wk = 0.0025840 k( 94) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0025840 k( 95) = ( 0.3490566 0.3490566 0.0000000), wk = 0.0025840 k( 96) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0025840 k( 97) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0025840 k( 98) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0025840 k( 99) = ( 0.3113207 0.3113207 0.0000000), wk = 0.0025840 k( 100) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0025840 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0025840 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0025840 k( 103) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0025840 k( 104) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0025840 k( 105) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0025840 k( 106) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0025840 k( 107) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0025840 k( 108) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0025840 k( 109) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0025840 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0025840 k( 111) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0025840 k( 112) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0025840 k( 113) = ( 0.1792453 0.1792453 0.0000000), wk = 0.0025840 k( 114) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0025840 k( 115) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0025840 k( 116) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0025840 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0025840 k( 118) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0025840 k( 119) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0025840 k( 120) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0025840 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0025840 k( 122) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0025840 k( 123) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0025840 k( 124) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0025840 k( 125) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0025840 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0025840 k( 127) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0025840 k( 128) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0025840 k( 129) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0025840 k( 130) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0025840 k( 131) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0025840 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 134) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0025840 k( 135) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0025840 k( 136) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0025840 k( 137) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0025840 k( 138) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0025840 k( 139) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0025840 k( 140) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0025840 k( 141) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025840 k( 142) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0025840 k( 143) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0025840 k( 144) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0025840 k( 145) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0025840 k( 146) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0025840 k( 147) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0025840 k( 148) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0025840 k( 149) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025840 k( 150) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0025840 k( 151) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0025840 k( 152) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0025840 k( 153) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025840 k( 154) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0025840 k( 155) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0025840 k( 156) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0025840 k( 157) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025840 k( 158) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0025840 k( 159) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0025840 k( 160) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0025840 k( 161) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0025840 k( 162) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0025840 k( 163) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0025840 k( 164) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0025840 k( 165) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025840 k( 166) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0025840 k( 167) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0025840 k( 168) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0025840 k( 169) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0025840 k( 170) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0025840 k( 171) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0025840 k( 172) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0025840 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025840 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025840 k( 175) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0025840 k( 176) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0025840 k( 177) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0025840 k( 178) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0025840 k( 179) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0025840 k( 180) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0025840 k( 181) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0025840 k( 182) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0025840 k( 183) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0025840 k( 184) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0025840 k( 185) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0025840 k( 186) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0025840 k( 187) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0025840 k( 188) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0025840 k( 189) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0025840 k( 190) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0025840 k( 191) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0025840 k( 192) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0025840 k( 193) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0025840 k( 194) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0025840 k( 195) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0025840 k( 196) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0025840 k( 197) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0025840 k( 198) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0025840 k( 199) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0025840 k( 200) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0025840 k( 201) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0025840 k( 202) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0025840 k( 203) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0025840 k( 204) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0025840 k( 205) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0025840 k( 206) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0025840 k( 207) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0025840 k( 208) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0025840 k( 209) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0025840 k( 210) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0025840 k( 211) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0025840 k( 212) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025840 k( 213) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025840 k( 214) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0025840 k( 215) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0025840 k( 216) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0025840 k( 217) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0025840 k( 218) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0025840 k( 219) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0025840 k( 220) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0025840 k( 221) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0025840 k( 222) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0025840 k( 223) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0025840 k( 224) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0025840 k( 225) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0025840 k( 226) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0025840 k( 227) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0025840 k( 228) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0025840 k( 229) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0025840 k( 230) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0025840 k( 231) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0025840 k( 232) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0025840 k( 233) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0025840 k( 234) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0025840 k( 235) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0025840 k( 236) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0025840 k( 237) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0025840 k( 238) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0025840 k( 239) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0025840 k( 240) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0025840 k( 241) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0025840 k( 242) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0025840 k( 243) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0025840 k( 244) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0025840 k( 245) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0025840 k( 246) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0025840 k( 247) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0025840 k( 248) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0025840 k( 249) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0025840 k( 250) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0025840 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 k( 253) = ( 0.4905660 0.4905660 0.5000000), wk = 0.0025840 k( 254) = ( 0.4811321 0.4811321 0.5000000), wk = 0.0025840 k( 255) = ( 0.4716981 0.4716981 0.5000000), wk = 0.0025840 k( 256) = ( 0.4622641 0.4622641 0.5000000), wk = 0.0025840 k( 257) = ( 0.4528302 0.4528302 0.5000000), wk = 0.0025840 k( 258) = ( 0.4433962 0.4433962 0.5000000), wk = 0.0025840 k( 259) = ( 0.4339623 0.4339623 0.5000000), wk = 0.0025840 k( 260) = ( 0.4245283 0.4245283 0.5000000), wk = 0.0025840 k( 261) = ( 0.4150943 0.4150943 0.5000000), wk = 0.0025840 k( 262) = ( 0.4056604 0.4056604 0.5000000), wk = 0.0025840 k( 263) = ( 0.3962264 0.3962264 0.5000000), wk = 0.0025840 k( 264) = ( 0.3867925 0.3867925 0.5000000), wk = 0.0025840 k( 265) = ( 0.3773585 0.3773585 0.5000000), wk = 0.0025840 k( 266) = ( 0.3679245 0.3679245 0.5000000), wk = 0.0025840 k( 267) = ( 0.3584906 0.3584906 0.5000000), wk = 0.0025840 k( 268) = ( 0.3490566 0.3490566 0.5000000), wk = 0.0025840 k( 269) = ( 0.3396226 0.3396226 0.5000000), wk = 0.0025840 k( 270) = ( 0.3301887 0.3301887 0.5000000), wk = 0.0025840 k( 271) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0025840 k( 272) = ( 0.3113207 0.3113207 0.5000000), wk = 0.0025840 k( 273) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0025840 k( 274) = ( 0.2924528 0.2924528 0.5000000), wk = 0.0025840 k( 275) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0025840 k( 276) = ( 0.2735849 0.2735849 0.5000000), wk = 0.0025840 k( 277) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0025840 k( 278) = ( 0.2547170 0.2547170 0.5000000), wk = 0.0025840 k( 279) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0025840 k( 280) = ( 0.2358491 0.2358491 0.5000000), wk = 0.0025840 k( 281) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0025840 k( 282) = ( 0.2169811 0.2169811 0.5000000), wk = 0.0025840 k( 283) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0025840 k( 284) = ( 0.1981132 0.1981132 0.5000000), wk = 0.0025840 k( 285) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0025840 k( 286) = ( 0.1792453 0.1792453 0.5000000), wk = 0.0025840 k( 287) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0025840 k( 288) = ( 0.1603774 0.1603774 0.5000000), wk = 0.0025840 k( 289) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0025840 k( 290) = ( 0.1415094 0.1415094 0.5000000), wk = 0.0025840 k( 291) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0025840 k( 292) = ( 0.1226415 0.1226415 0.5000000), wk = 0.0025840 k( 293) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0025840 k( 294) = ( 0.1037736 0.1037736 0.5000000), wk = 0.0025840 k( 295) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0025840 k( 296) = ( 0.0849057 0.0849057 0.5000000), wk = 0.0025840 k( 297) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0025840 k( 298) = ( 0.0660377 0.0660377 0.5000000), wk = 0.0025840 k( 299) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0025840 k( 300) = ( 0.0471698 0.0471698 0.5000000), wk = 0.0025840 k( 301) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0025840 k( 302) = ( 0.0283019 0.0283019 0.5000000), wk = 0.0025840 k( 303) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0025840 k( 304) = ( 0.0094340 0.0094340 0.5000000), wk = 0.0025840 k( 305) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025840 k( 306) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025840 k( 307) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0025840 k( 308) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0025840 k( 309) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0025840 k( 310) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0025840 k( 311) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0025840 k( 312) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0025840 k( 313) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0025840 k( 314) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0025840 k( 315) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0025840 k( 316) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0025840 k( 317) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0025840 k( 318) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0025840 k( 319) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0025840 k( 320) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0025840 k( 321) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0025840 k( 322) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0025840 k( 323) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0025840 k( 324) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0025840 k( 325) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0025840 k( 326) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025840 k( 327) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0025840 k( 328) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0025840 k( 329) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0025840 k( 330) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0025840 k( 331) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0025840 k( 332) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0025840 k( 333) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0025840 k( 334) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0025840 k( 335) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0025840 k( 336) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0025840 k( 337) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0025840 k( 338) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0025840 k( 339) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0025840 k( 340) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0025840 k( 341) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0025840 k( 342) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0025840 k( 343) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0025840 k( 344) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0025840 k( 345) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0025840 k( 346) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025840 k( 347) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0025840 k( 348) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0025840 k( 349) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0025840 k( 350) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0025840 k( 351) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0025840 k( 352) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0025840 k( 353) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0025840 k( 354) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0025840 k( 355) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0025840 k( 356) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0025840 k( 357) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0025840 k( 358) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0025840 k( 359) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0025840 k( 360) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0025840 k( 361) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0025840 k( 362) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0025840 k( 363) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0025840 k( 364) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0025840 k( 365) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0025840 k( 366) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0025840 k( 367) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0025840 k( 368) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0025840 k( 369) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0025840 k( 370) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0025840 k( 371) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0025840 k( 372) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0025840 k( 373) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0025840 k( 374) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0025840 k( 375) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0025840 k( 376) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0025840 k( 377) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0025840 k( 378) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0025840 k( 379) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0025840 k( 380) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0025840 k( 381) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0025840 k( 382) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0025840 k( 383) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0025840 k( 384) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0025840 k( 385) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0025840 k( 386) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0025840 k( 387) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025840 Dense grid: 27163 G-vectors FFT dimensions: ( 40, 40, 36) Smooth grid: 20325 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 150, 26) NL pseudopotentials 0.08 Mb ( 75, 68) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.01 Mb ( 755) G-vector shells 0.00 Mb ( 383) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 150, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.05 Mb ( 68, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AgCl.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.4 secs Computing kpt #: 12 total cpu time spent up to now is 3.6 secs Computing kpt #: 13 total cpu time spent up to now is 3.8 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.1 secs Computing kpt #: 16 total cpu time spent up to now is 4.3 secs Computing kpt #: 17 total cpu time spent up to now is 4.5 secs Computing kpt #: 18 total cpu time spent up to now is 4.7 secs Computing kpt #: 19 total cpu time spent up to now is 4.9 secs Computing kpt #: 20 total cpu time spent up to now is 5.1 secs Computing kpt #: 21 total cpu time spent up to now is 5.2 secs Computing kpt #: 22 total cpu time spent up to now is 5.3 secs Computing kpt #: 23 total cpu time spent up to now is 5.5 secs Computing kpt #: 24 total cpu time spent up to now is 5.6 secs Computing kpt #: 25 total cpu time spent up to now is 5.8 secs Computing kpt #: 26 total cpu time spent up to now is 5.9 secs Computing kpt #: 27 total cpu time spent up to now is 6.0 secs Computing kpt #: 28 total cpu time spent up to now is 6.1 secs Computing kpt #: 29 total cpu time spent up to now is 6.2 secs Computing kpt #: 30 total cpu time spent up to now is 6.3 secs Computing kpt #: 31 total cpu time spent up to now is 6.5 secs Computing kpt #: 32 total cpu time spent up to now is 6.6 secs Computing kpt #: 33 total cpu time spent up to now is 6.7 secs Computing kpt #: 34 total cpu time spent up to now is 6.8 secs Computing kpt #: 35 total cpu time spent up to now is 6.9 secs Computing kpt #: 36 total cpu time spent up to now is 7.0 secs Computing kpt #: 37 total cpu time spent up to now is 7.1 secs Computing kpt #: 38 total cpu time spent up to now is 7.2 secs Computing kpt #: 39 total cpu time spent up to now is 7.3 secs Computing kpt #: 40 total cpu time spent up to now is 7.4 secs Computing kpt #: 41 total cpu time spent up to now is 7.5 secs Computing kpt #: 42 total cpu time spent up to now is 7.6 secs Computing kpt #: 43 total cpu time spent up to now is 7.7 secs Computing kpt #: 44 total cpu time spent up to now is 7.8 secs Computing kpt #: 45 total cpu time spent up to now is 7.9 secs Computing kpt #: 46 total cpu time spent up to now is 8.1 secs Computing kpt #: 47 total cpu time spent up to now is 8.2 secs Computing kpt #: 48 total cpu time spent up to now is 8.3 secs Computing kpt #: 49 total cpu time spent up to now is 8.4 secs Computing kpt #: 50 total cpu time spent up to now is 8.5 secs Computing kpt #: 51 total cpu time spent up to now is 8.6 secs Computing kpt #: 52 total cpu time spent up to now is 8.7 secs Computing kpt #: 53 total cpu time spent up to now is 8.8 secs Computing kpt #: 54 total cpu time spent up to now is 8.9 secs Computing kpt #: 55 total cpu time spent up to now is 9.0 secs Computing kpt #: 56 total cpu time spent up to now is 9.2 secs Computing kpt #: 57 total cpu time spent up to now is 9.3 secs Computing kpt #: 58 total cpu time spent up to now is 9.4 secs Computing kpt #: 59 total cpu time spent up to now is 9.5 secs Computing kpt #: 60 total cpu time spent up to now is 9.6 secs Computing kpt #: 61 total cpu time spent up to now is 9.8 secs Computing kpt #: 62 total cpu time spent up to now is 9.9 secs Computing kpt #: 63 total cpu time spent up to now is 10.1 secs Computing kpt #: 64 total cpu time spent up to now is 10.2 secs Computing kpt #: 65 total cpu time spent up to now is 10.3 secs Computing kpt #: 66 total cpu time spent up to now is 10.5 secs Computing kpt #: 67 total cpu time spent up to now is 10.6 secs Computing kpt #: 68 total cpu time spent up to now is 10.8 secs Computing kpt #: 69 total cpu time spent up to now is 10.9 secs Computing kpt #: 70 total cpu time spent up to now is 11.0 secs Computing kpt #: 71 total cpu time spent up to now is 11.1 secs Computing kpt #: 72 total cpu time spent up to now is 11.2 secs Computing kpt #: 73 total cpu time spent up to now is 11.4 secs Computing kpt #: 74 total cpu time spent up to now is 11.5 secs Computing kpt #: 75 total cpu time spent up to now is 11.6 secs Computing kpt #: 76 total cpu time spent up to now is 11.7 secs Computing kpt #: 77 total cpu time spent up to now is 11.8 secs Computing kpt #: 78 total cpu time spent up to now is 11.9 secs Computing kpt #: 79 total cpu time spent up to now is 12.0 secs Computing kpt #: 80 total cpu time spent up to now is 12.2 secs Computing kpt #: 81 total cpu time spent up to now is 12.3 secs Computing kpt #: 82 total cpu time spent up to now is 12.4 secs Computing kpt #: 83 total cpu time spent up to now is 12.5 secs Computing kpt #: 84 total cpu time spent up to now is 12.6 secs Computing kpt #: 85 total cpu time spent up to now is 12.7 secs Computing kpt #: 86 total cpu time spent up to now is 12.8 secs Computing kpt #: 87 total cpu time spent up to now is 13.0 secs Computing kpt #: 88 total cpu time spent up to now is 13.1 secs Computing kpt #: 89 total cpu time spent up to now is 13.2 secs Computing kpt #: 90 total cpu time spent up to now is 13.4 secs Computing kpt #: 91 total cpu time spent up to now is 13.5 secs Computing kpt #: 92 total cpu time spent up to now is 13.7 secs Computing kpt #: 93 total cpu time spent up to now is 13.8 secs Computing kpt #: 94 total cpu time spent up to now is 13.9 secs Computing kpt #: 95 total cpu time spent up to now is 14.1 secs Computing kpt #: 96 total cpu time spent up to now is 14.2 secs Computing kpt #: 97 total cpu time spent up to now is 14.4 secs Computing kpt #: 98 total cpu time spent up to now is 14.5 secs Computing kpt #: 99 total cpu time spent up to now is 14.6 secs Computing kpt #: 100 total cpu time spent up to now is 14.7 secs Computing kpt #: 101 total cpu time spent up to now is 14.8 secs Computing kpt #: 102 total cpu time spent up to now is 15.0 secs Computing kpt #: 103 total cpu time spent up to now is 15.1 secs Computing kpt #: 104 total cpu time spent up to now is 15.2 secs Computing kpt #: 105 total cpu time spent up to now is 15.3 secs Computing kpt #: 106 total cpu time spent up to now is 15.4 secs Computing kpt #: 107 total cpu time spent up to now is 15.5 secs Computing kpt #: 108 total cpu time spent up to now is 15.6 secs Computing kpt #: 109 total cpu time spent up to now is 15.8 secs Computing kpt #: 110 total cpu time spent up to now is 15.9 secs Computing kpt #: 111 total cpu time spent up to now is 16.0 secs Computing kpt #: 112 total cpu time spent up to now is 16.1 secs Computing kpt #: 113 total cpu time spent up to now is 16.2 secs Computing kpt #: 114 total cpu time spent up to now is 16.4 secs Computing kpt #: 115 total cpu time spent up to now is 16.5 secs Computing kpt #: 116 total cpu time spent up to now is 16.6 secs Computing kpt #: 117 total cpu time spent up to now is 16.8 secs Computing kpt #: 118 total cpu time spent up to now is 16.9 secs Computing kpt #: 119 total cpu time spent up to now is 17.0 secs Computing kpt #: 120 total cpu time spent up to now is 17.2 secs Computing kpt #: 121 total cpu time spent up to now is 17.3 secs Computing kpt #: 122 total cpu time spent up to now is 17.5 secs Computing kpt #: 123 total cpu time spent up to now is 17.6 secs Computing kpt #: 124 total cpu time spent up to now is 17.7 secs Computing kpt #: 125 total cpu time spent up to now is 17.9 secs Computing kpt #: 126 total cpu time spent up to now is 18.0 secs Computing kpt #: 127 total cpu time spent up to now is 18.2 secs Computing kpt #: 128 total cpu time spent up to now is 18.3 secs Computing kpt #: 129 total cpu time spent up to now is 18.5 secs Computing kpt #: 130 total cpu time spent up to now is 18.6 secs Computing kpt #: 131 total cpu time spent up to now is 18.7 secs Computing kpt #: 132 total cpu time spent up to now is 18.9 secs Computing kpt #: 133 total cpu time spent up to now is 19.0 secs Computing kpt #: 134 total cpu time spent up to now is 19.2 secs Computing kpt #: 135 total cpu time spent up to now is 19.3 secs Computing kpt #: 136 total cpu time spent up to now is 19.5 secs Computing kpt #: 137 total cpu time spent up to now is 19.6 secs Computing kpt #: 138 total cpu time spent up to now is 19.7 secs Computing kpt #: 139 total cpu time spent up to now is 19.9 secs Computing kpt #: 140 total cpu time spent up to now is 20.0 secs Computing kpt #: 141 total cpu time spent up to now is 20.1 secs Computing kpt #: 142 total cpu time spent up to now is 20.3 secs Computing kpt #: 143 total cpu time spent up to now is 20.4 secs Computing kpt #: 144 total cpu time spent up to now is 20.5 secs Computing kpt #: 145 total cpu time spent up to now is 20.7 secs Computing kpt #: 146 total cpu time spent up to now is 20.8 secs Computing kpt #: 147 total cpu time spent up to now is 20.9 secs Computing kpt #: 148 total cpu time spent up to now is 21.1 secs Computing kpt #: 149 total cpu time spent up to now is 21.2 secs Computing kpt #: 150 total cpu time spent up to now is 21.4 secs Computing kpt #: 151 total cpu time spent up to now is 21.5 secs Computing kpt #: 152 total cpu time spent up to now is 21.6 secs Computing kpt #: 153 total cpu time spent up to now is 21.7 secs Computing kpt #: 154 total cpu time spent up to now is 21.9 secs Computing kpt #: 155 total cpu time spent up to now is 22.0 secs Computing kpt #: 156 total cpu time spent up to now is 22.1 secs Computing kpt #: 157 total cpu time spent up to now is 22.2 secs Computing kpt #: 158 total cpu time spent up to now is 22.3 secs Computing kpt #: 159 total cpu time spent up to now is 22.4 secs Computing kpt #: 160 total cpu time spent up to now is 22.5 secs Computing kpt #: 161 total cpu time spent up to now is 22.6 secs Computing kpt #: 162 total cpu time spent up to now is 22.7 secs Computing kpt #: 163 total cpu time spent up to now is 22.8 secs Computing kpt #: 164 total cpu time spent up to now is 22.9 secs Computing kpt #: 165 total cpu time spent up to now is 23.0 secs Computing kpt #: 166 total cpu time spent up to now is 23.2 secs Computing kpt #: 167 total cpu time spent up to now is 23.3 secs Computing kpt #: 168 total cpu time spent up to now is 23.4 secs Computing kpt #: 169 total cpu time spent up to now is 23.5 secs Computing kpt #: 170 total cpu time spent up to now is 23.6 secs Computing kpt #: 171 total cpu time spent up to now is 23.7 secs Computing kpt #: 172 total cpu time spent up to now is 23.8 secs Computing kpt #: 173 total cpu time spent up to now is 23.9 secs Computing kpt #: 174 total cpu time spent up to now is 24.0 secs Computing kpt #: 175 total cpu time spent up to now is 24.1 secs Computing kpt #: 176 total cpu time spent up to now is 24.2 secs Computing kpt #: 177 total cpu time spent up to now is 24.3 secs Computing kpt #: 178 total cpu time spent up to now is 24.4 secs Computing kpt #: 179 total cpu time spent up to now is 24.5 secs Computing kpt #: 180 total cpu time spent up to now is 24.6 secs Computing kpt #: 181 total cpu time spent up to now is 24.7 secs Computing kpt #: 182 total cpu time spent up to now is 24.8 secs Computing kpt #: 183 total cpu time spent up to now is 24.9 secs Computing kpt #: 184 total cpu time spent up to now is 25.0 secs Computing kpt #: 185 total cpu time spent up to now is 25.1 secs Computing kpt #: 186 total cpu time spent up to now is 25.2 secs Computing kpt #: 187 total cpu time spent up to now is 25.3 secs Computing kpt #: 188 total cpu time spent up to now is 25.4 secs Computing kpt #: 189 total cpu time spent up to now is 25.5 secs Computing kpt #: 190 total cpu time spent up to now is 25.6 secs Computing kpt #: 191 total cpu time spent up to now is 25.8 secs Computing kpt #: 192 total cpu time spent up to now is 25.9 secs Computing kpt #: 193 total cpu time spent up to now is 26.0 secs Computing kpt #: 194 total cpu time spent up to now is 26.1 secs Computing kpt #: 195 total cpu time spent up to now is 26.2 secs Computing kpt #: 196 total cpu time spent up to now is 26.3 secs Computing kpt #: 197 total cpu time spent up to now is 26.4 secs Computing kpt #: 198 total cpu time spent up to now is 26.5 secs Computing kpt #: 199 total cpu time spent up to now is 26.6 secs Computing kpt #: 200 total cpu time spent up to now is 26.8 secs Computing kpt #: 201 total cpu time spent up to now is 26.9 secs Computing kpt #: 202 total cpu time spent up to now is 27.1 secs Computing kpt #: 203 total cpu time spent up to now is 27.2 secs Computing kpt #: 204 total cpu time spent up to now is 27.4 secs Computing kpt #: 205 total cpu time spent up to now is 27.5 secs Computing kpt #: 206 total cpu time spent up to now is 27.6 secs Computing kpt #: 207 total cpu time spent up to now is 27.8 secs Computing kpt #: 208 total cpu time spent up to now is 28.2 secs Computing kpt #: 209 total cpu time spent up to now is 28.3 secs Computing kpt #: 210 total cpu time spent up to now is 28.5 secs Computing kpt #: 211 total cpu time spent up to now is 28.6 secs Computing kpt #: 212 total cpu time spent up to now is 28.7 secs Computing kpt #: 213 total cpu time spent up to now is 28.8 secs Computing kpt #: 214 total cpu time spent up to now is 29.0 secs Computing kpt #: 215 total cpu time spent up to now is 29.1 secs Computing kpt #: 216 total cpu time spent up to now is 29.2 secs Computing kpt #: 217 total cpu time spent up to now is 29.3 secs Computing kpt #: 218 total cpu time spent up to now is 29.4 secs Computing kpt #: 219 total cpu time spent up to now is 29.6 secs Computing kpt #: 220 total cpu time spent up to now is 29.7 secs Computing kpt #: 221 total cpu time spent up to now is 29.8 secs Computing kpt #: 222 total cpu time spent up to now is 29.9 secs Computing kpt #: 223 total cpu time spent up to now is 30.0 secs Computing kpt #: 224 total cpu time spent up to now is 30.1 secs Computing kpt #: 225 total cpu time spent up to now is 30.2 secs Computing kpt #: 226 total cpu time spent up to now is 30.3 secs Computing kpt #: 227 total cpu time spent up to now is 30.4 secs Computing kpt #: 228 total cpu time spent up to now is 30.5 secs Computing kpt #: 229 total cpu time spent up to now is 30.6 secs Computing kpt #: 230 total cpu time spent up to now is 30.7 secs Computing kpt #: 231 total cpu time spent up to now is 30.8 secs Computing kpt #: 232 total cpu time spent up to now is 30.9 secs Computing kpt #: 233 total cpu time spent up to now is 31.0 secs Computing kpt #: 234 total cpu time spent up to now is 31.1 secs Computing kpt #: 235 total cpu time spent up to now is 31.1 secs Computing kpt #: 236 total cpu time spent up to now is 31.2 secs Computing kpt #: 237 total cpu time spent up to now is 31.3 secs Computing kpt #: 238 total cpu time spent up to now is 31.4 secs Computing kpt #: 239 total cpu time spent up to now is 31.5 secs Computing kpt #: 240 total cpu time spent up to now is 31.6 secs Computing kpt #: 241 total cpu time spent up to now is 31.7 secs Computing kpt #: 242 total cpu time spent up to now is 31.7 secs Computing kpt #: 243 total cpu time spent up to now is 31.8 secs Computing kpt #: 244 total cpu time spent up to now is 31.9 secs Computing kpt #: 245 total cpu time spent up to now is 32.0 secs Computing kpt #: 246 total cpu time spent up to now is 32.1 secs Computing kpt #: 247 total cpu time spent up to now is 32.2 secs Computing kpt #: 248 total cpu time spent up to now is 32.4 secs Computing kpt #: 249 total cpu time spent up to now is 32.5 secs Computing kpt #: 250 total cpu time spent up to now is 32.5 secs Computing kpt #: 251 total cpu time spent up to now is 32.6 secs Computing kpt #: 252 total cpu time spent up to now is 32.7 secs Computing kpt #: 253 total cpu time spent up to now is 32.8 secs Computing kpt #: 254 total cpu time spent up to now is 32.9 secs Computing kpt #: 255 total cpu time spent up to now is 33.0 secs Computing kpt #: 256 total cpu time spent up to now is 33.0 secs Computing kpt #: 257 total cpu time spent up to now is 33.1 secs Computing kpt #: 258 total cpu time spent up to now is 33.2 secs Computing kpt #: 259 total cpu time spent up to now is 33.3 secs Computing kpt #: 260 total cpu time spent up to now is 33.4 secs Computing kpt #: 261 total cpu time spent up to now is 33.5 secs Computing kpt #: 262 total cpu time spent up to now is 33.6 secs Computing kpt #: 263 total cpu time spent up to now is 33.6 secs Computing kpt #: 264 total cpu time spent up to now is 33.7 secs Computing kpt #: 265 total cpu time spent up to now is 33.8 secs Computing kpt #: 266 total cpu time spent up to now is 33.9 secs Computing kpt #: 267 total cpu time spent up to now is 34.0 secs Computing kpt #: 268 total cpu time spent up to now is 34.1 secs Computing kpt #: 269 total cpu time spent up to now is 34.1 secs Computing kpt #: 270 total cpu time spent up to now is 34.2 secs Computing kpt #: 271 total cpu time spent up to now is 34.3 secs Computing kpt #: 272 total cpu time spent up to now is 34.4 secs Computing kpt #: 273 total cpu time spent up to now is 34.5 secs Computing kpt #: 274 total cpu time spent up to now is 34.6 secs Computing kpt #: 275 total cpu time spent up to now is 34.7 secs Computing kpt #: 276 total cpu time spent up to now is 34.8 secs Computing kpt #: 277 total cpu time spent up to now is 34.9 secs Computing kpt #: 278 total cpu time spent up to now is 34.9 secs Computing kpt #: 279 total cpu time spent up to now is 35.0 secs Computing kpt #: 280 total cpu time spent up to now is 35.1 secs Computing kpt #: 281 total cpu time spent up to now is 35.2 secs Computing kpt #: 282 total cpu time spent up to now is 35.3 secs Computing kpt #: 283 total cpu time spent up to now is 35.4 secs Computing kpt #: 284 total cpu time spent up to now is 35.5 secs Computing kpt #: 285 total cpu time spent up to now is 35.6 secs Computing kpt #: 286 total cpu time spent up to now is 35.7 secs Computing kpt #: 287 total cpu time spent up to now is 35.8 secs Computing kpt #: 288 total cpu time spent up to now is 35.9 secs Computing kpt #: 289 total cpu time spent up to now is 36.0 secs Computing kpt #: 290 total cpu time spent up to now is 36.1 secs Computing kpt #: 291 total cpu time spent up to now is 36.2 secs Computing kpt #: 292 total cpu time spent up to now is 36.3 secs Computing kpt #: 293 total cpu time spent up to now is 36.4 secs Computing kpt #: 294 total cpu time spent up to now is 36.5 secs Computing kpt #: 295 total cpu time spent up to now is 36.6 secs Computing kpt #: 296 total cpu time spent up to now is 36.8 secs Computing kpt #: 297 total cpu time spent up to now is 36.9 secs Computing kpt #: 298 total cpu time spent up to now is 37.0 secs Computing kpt #: 299 total cpu time spent up to now is 37.1 secs Computing kpt #: 300 total cpu time spent up to now is 37.2 secs Computing kpt #: 301 total cpu time spent up to now is 37.3 secs Computing kpt #: 302 total cpu time spent up to now is 37.4 secs Computing kpt #: 303 total cpu time spent up to now is 37.5 secs Computing kpt #: 304 total cpu time spent up to now is 37.6 secs Computing kpt #: 305 total cpu time spent up to now is 37.7 secs Computing kpt #: 306 total cpu time spent up to now is 37.8 secs Computing kpt #: 307 total cpu time spent up to now is 37.9 secs Computing kpt #: 308 total cpu time spent up to now is 38.0 secs Computing kpt #: 309 total cpu time spent up to now is 38.1 secs Computing kpt #: 310 total cpu time spent up to now is 38.2 secs Computing kpt #: 311 total cpu time spent up to now is 38.3 secs Computing kpt #: 312 total cpu time spent up to now is 38.4 secs Computing kpt #: 313 total cpu time spent up to now is 38.5 secs Computing kpt #: 314 total cpu time spent up to now is 38.6 secs Computing kpt #: 315 total cpu time spent up to now is 38.7 secs Computing kpt #: 316 total cpu time spent up to now is 38.8 secs Computing kpt #: 317 total cpu time spent up to now is 39.1 secs Computing kpt #: 318 total cpu time spent up to now is 39.2 secs Computing kpt #: 319 total cpu time spent up to now is 39.3 secs Computing kpt #: 320 total cpu time spent up to now is 39.4 secs Computing kpt #: 321 total cpu time spent up to now is 39.5 secs Computing kpt #: 322 total cpu time spent up to now is 39.6 secs Computing kpt #: 323 total cpu time spent up to now is 39.7 secs Computing kpt #: 324 total cpu time spent up to now is 39.8 secs Computing kpt #: 325 total cpu time spent up to now is 39.9 secs Computing kpt #: 326 total cpu time spent up to now is 40.0 secs Computing kpt #: 327 total cpu time spent up to now is 40.1 secs Computing kpt #: 328 total cpu time spent up to now is 40.2 secs Computing kpt #: 329 total cpu time spent up to now is 40.3 secs Computing kpt #: 330 total cpu time spent up to now is 40.4 secs Computing kpt #: 331 total cpu time spent up to now is 40.5 secs Computing kpt #: 332 total cpu time spent up to now is 40.6 secs Computing kpt #: 333 total cpu time spent up to now is 40.8 secs Computing kpt #: 334 total cpu time spent up to now is 40.9 secs Computing kpt #: 335 total cpu time spent up to now is 41.0 secs Computing kpt #: 336 total cpu time spent up to now is 41.2 secs Computing kpt #: 337 total cpu time spent up to now is 41.3 secs Computing kpt #: 338 total cpu time spent up to now is 41.5 secs Computing kpt #: 339 total cpu time spent up to now is 41.6 secs Computing kpt #: 340 total cpu time spent up to now is 41.7 secs Computing kpt #: 341 total cpu time spent up to now is 41.9 secs Computing kpt #: 342 total cpu time spent up to now is 42.0 secs Computing kpt #: 343 total cpu time spent up to now is 42.1 secs Computing kpt #: 344 total cpu time spent up to now is 42.2 secs Computing kpt #: 345 total cpu time spent up to now is 42.4 secs Computing kpt #: 346 total cpu time spent up to now is 42.5 secs Computing kpt #: 347 total cpu time spent up to now is 42.6 secs Computing kpt #: 348 total cpu time spent up to now is 42.7 secs Computing kpt #: 349 total cpu time spent up to now is 42.8 secs Computing kpt #: 350 total cpu time spent up to now is 42.9 secs Computing kpt #: 351 total cpu time spent up to now is 43.0 secs Computing kpt #: 352 total cpu time spent up to now is 43.2 secs Computing kpt #: 353 total cpu time spent up to now is 43.3 secs Computing kpt #: 354 total cpu time spent up to now is 43.4 secs Computing kpt #: 355 total cpu time spent up to now is 43.5 secs Computing kpt #: 356 total cpu time spent up to now is 43.7 secs Computing kpt #: 357 total cpu time spent up to now is 43.8 secs Computing kpt #: 358 total cpu time spent up to now is 43.9 secs Computing kpt #: 359 total cpu time spent up to now is 44.0 secs Computing kpt #: 360 total cpu time spent up to now is 44.1 secs Computing kpt #: 361 total cpu time spent up to now is 44.2 secs Computing kpt #: 362 total cpu time spent up to now is 44.3 secs Computing kpt #: 363 total cpu time spent up to now is 44.4 secs Computing kpt #: 364 total cpu time spent up to now is 44.5 secs Computing kpt #: 365 total cpu time spent up to now is 44.6 secs Computing kpt #: 366 total cpu time spent up to now is 44.7 secs Computing kpt #: 367 total cpu time spent up to now is 44.8 secs Computing kpt #: 368 total cpu time spent up to now is 44.9 secs Computing kpt #: 369 total cpu time spent up to now is 45.0 secs Computing kpt #: 370 total cpu time spent up to now is 45.0 secs Computing kpt #: 371 total cpu time spent up to now is 45.1 secs Computing kpt #: 372 total cpu time spent up to now is 45.2 secs Computing kpt #: 373 total cpu time spent up to now is 45.3 secs Computing kpt #: 374 total cpu time spent up to now is 45.4 secs Computing kpt #: 375 total cpu time spent up to now is 45.5 secs Computing kpt #: 376 total cpu time spent up to now is 45.6 secs Computing kpt #: 377 total cpu time spent up to now is 45.6 secs Computing kpt #: 378 total cpu time spent up to now is 45.7 secs Computing kpt #: 379 total cpu time spent up to now is 45.8 secs Computing kpt #: 380 total cpu time spent up to now is 45.9 secs Computing kpt #: 381 total cpu time spent up to now is 46.0 secs Computing kpt #: 382 total cpu time spent up to now is 46.1 secs Computing kpt #: 383 total cpu time spent up to now is 46.1 secs Computing kpt #: 384 total cpu time spent up to now is 46.2 secs Computing kpt #: 385 total cpu time spent up to now is 46.3 secs Computing kpt #: 386 total cpu time spent up to now is 46.4 secs Computing kpt #: 387 total cpu time spent up to now is 46.5 secs ethr = 5.56E-08, avg # of iterations = 15.7 total cpu time spent up to now is 46.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2521 PWs) bands (ev): -11.9014 -11.9014 -1.6759 -1.6759 -1.6289 -1.6289 -1.1018 -1.1018 -1.0756 -1.0756 -0.9545 -0.9545 0.0596 0.0596 0.1516 0.1516 0.4239 0.4239 1.1062 1.1062 9.6431 9.6431 9.9462 9.9462 10.1586 10.1586 k = 0.0000 0.0132-0.0000 ( 2525 PWs) bands (ev): -11.9013 -11.9013 -1.6759 -1.6759 -1.6290 -1.6290 -1.1019 -1.1019 -1.0758 -1.0758 -0.9547 -0.9547 0.0574 0.0574 0.1491 0.1491 0.4241 0.4241 1.1126 1.1126 9.6198 9.6198 9.9504 9.9504 10.1523 10.1523 k = 0.0000 0.0263-0.0000 ( 2533 PWs) bands (ev): -11.9009 -11.9009 -1.6760 -1.6760 -1.6291 -1.6291 -1.1022 -1.1022 -1.0764 -1.0764 -0.9555 -0.9555 0.0499 0.0499 0.1430 0.1430 0.4251 0.4251 1.1314 1.1314 9.5575 9.5575 9.9596 9.9596 10.1396 10.1396 k = 0.0000 0.0395-0.0000 ( 2535 PWs) bands (ev): -11.9004 -11.9004 -1.6760 -1.6760 -1.6292 -1.6292 -1.1026 -1.1026 -1.0774 -1.0774 -0.9567 -0.9567 0.0349 0.0349 0.1366 0.1366 0.4267 0.4267 1.1614 1.1614 9.4691 9.4691 9.9695 9.9695 10.1254 10.1254 k = 0.0000 0.0526-0.0000 ( 2539 PWs) bands (ev): -11.8996 -11.8996 -1.6760 -1.6760 -1.6293 -1.6293 -1.1032 -1.1032 -1.0787 -1.0787 -0.9583 -0.9583 0.0109 0.0109 0.1329 0.1329 0.4291 0.4291 1.2011 1.2011 9.3640 9.3640 9.9785 9.9785 10.1104 10.1104 k = 0.0000 0.0658-0.0000 ( 2539 PWs) bands (ev): -11.8986 -11.8986 -1.6760 -1.6760 -1.6295 -1.6295 -1.1040 -1.1040 -1.0804 -1.0804 -0.9604 -0.9604 -0.0216 -0.0216 0.1329 0.1329 0.4323 0.4323 1.2489 1.2489 9.2477 9.2477 9.9860 9.9860 10.0950 10.0950 k = 0.0000 0.0789-0.0000 ( 2537 PWs) bands (ev): -11.8974 -11.8974 -1.6761 -1.6761 -1.6298 -1.6298 -1.1051 -1.1051 -1.0824 -1.0824 -0.9627 -0.9627 -0.0605 -0.0605 0.1359 0.1359 0.4363 0.4363 1.3032 1.3032 9.1231 9.1231 9.9901 9.9901 10.0810 10.0810 k = 0.0000 0.0921-0.0000 ( 2537 PWs) bands (ev): -11.8959 -11.8959 -1.6761 -1.6761 -1.6302 -1.6302 -1.1064 -1.1064 -1.0849 -1.0849 -0.9655 -0.9655 -0.1037 -0.1037 0.1413 0.1413 0.4411 0.4411 1.3628 1.3628 8.9922 8.9922 9.9870 9.9870 10.0727 10.0727 k = 0.0000 0.1053-0.0000 ( 2535 PWs) bands (ev): -11.8943 -11.8943 -1.6762 -1.6762 -1.6307 -1.6307 -1.1080 -1.1080 -1.0876 -1.0876 -0.9684 -0.9684 -0.1497 -0.1497 0.1484 0.1484 0.4467 0.4467 1.4268 1.4268 8.8563 8.8563 9.9732 9.9732 10.0737 10.0737 k = 0.0000 0.1184-0.0000 ( 2535 PWs) bands (ev): -11.8925 -11.8925 -1.6763 -1.6763 -1.6313 -1.6313 -1.1101 -1.1101 -1.0906 -1.0906 -0.9716 -0.9716 -0.1971 -0.1971 0.1570 0.1570 0.4530 0.4530 1.4943 1.4943 8.7165 8.7165 9.9501 9.9501 10.0828 10.0828 k = 0.0000 0.1316-0.0000 ( 2531 PWs) bands (ev): -11.8906 -11.8906 -1.6765 -1.6765 -1.6321 -1.6321 -1.1127 -1.1127 -1.0938 -1.0938 -0.9749 -0.9749 -0.2451 -0.2451 0.1666 0.1666 0.4598 0.4598 1.5646 1.5646 8.5735 8.5735 9.9210 9.9210 10.0970 10.0970 k = 0.0000 0.1447-0.0000 ( 2531 PWs) bands (ev): -11.8884 -11.8884 -1.6767 -1.6767 -1.6331 -1.6331 -1.1160 -1.1160 -1.0971 -1.0971 -0.9783 -0.9783 -0.2929 -0.2929 0.1773 0.1773 0.4673 0.4673 1.6374 1.6374 8.4280 8.4280 9.8879 9.8879 10.1146 10.1146 k = 0.0000 0.1579-0.0000 ( 2523 PWs) bands (ev): -11.8862 -11.8862 -1.6769 -1.6769 -1.6342 -1.6342 -1.1202 -1.1202 -1.1004 -1.1004 -0.9817 -0.9817 -0.3399 -0.3399 0.1887 0.1887 0.4753 0.4753 1.7122 1.7122 8.2806 8.2806 9.8519 9.8519 10.1346 10.1346 k = 0.0000 0.1711-0.0000 ( 2527 PWs) bands (ev): -11.8838 -11.8838 -1.6773 -1.6773 -1.6356 -1.6356 -1.1256 -1.1256 -1.1037 -1.1037 -0.9851 -0.9851 -0.3855 -0.3855 0.2008 0.2008 0.4837 0.4837 1.7887 1.7887 8.1318 8.1318 9.8139 9.8139 10.1566 10.1566 k = 0.0000 0.1842-0.0000 ( 2527 PWs) bands (ev): -11.8812 -11.8812 -1.6778 -1.6778 -1.6372 -1.6372 -1.1320 -1.1320 -1.1068 -1.1068 -0.9884 -0.9884 -0.4293 -0.4293 0.2134 0.2134 0.4924 0.4924 1.8668 1.8668 7.9821 7.9821 9.7743 9.7743 10.1802 10.1802 k = 0.0000 0.1974-0.0000 ( 2519 PWs) bands (ev): -11.8786 -11.8786 -1.6784 -1.6784 -1.6390 -1.6390 -1.1397 -1.1397 -1.1098 -1.1098 -0.9916 -0.9916 -0.4708 -0.4708 0.2264 0.2264 0.5015 0.5015 1.9462 1.9462 7.8319 7.8319 9.7335 9.7335 10.2054 10.2054 k = 0.0000 0.2105-0.0000 ( 2521 PWs) bands (ev): -11.8759 -11.8759 -1.6791 -1.6791 -1.6411 -1.6411 -1.1486 -1.1486 -1.1129 -1.1129 -0.9948 -0.9948 -0.5098 -0.5098 0.2398 0.2398 0.5109 0.5109 2.0268 2.0268 7.6815 7.6815 9.6919 9.6919 10.2320 10.2320 k = 0.0000 0.2237-0.0000 ( 2531 PWs) bands (ev): -11.8732 -11.8732 -1.6801 -1.6801 -1.6433 -1.6433 -1.1589 -1.1589 -1.1160 -1.1160 -0.9978 -0.9978 -0.5460 -0.5460 0.2534 0.2534 0.5204 0.5204 2.1085 2.1085 7.5314 7.5314 9.6499 9.6499 10.2598 10.2598 k = 0.0000 0.2368-0.0000 ( 2531 PWs) bands (ev): -11.8704 -11.8704 -1.6813 -1.6813 -1.6457 -1.6457 -1.1703 -1.1703 -1.1191 -1.1191 -1.0006 -1.0006 -0.5791 -0.5791 0.2670 0.2670 0.5300 0.5300 2.1912 2.1912 7.3819 7.3819 9.6077 9.6077 10.2887 10.2887 k = 0.0000 0.2500-0.0000 ( 2525 PWs) bands (ev): -11.8676 -11.8676 -1.6827 -1.6827 -1.6481 -1.6481 -1.1829 -1.1829 -1.1222 -1.1222 -1.0032 -1.0032 -0.6090 -0.6090 0.2807 0.2807 0.5396 0.5396 2.2748 2.2748 7.2332 7.2332 9.5657 9.5657 10.3186 10.3186 k = 0.0000 0.2632-0.0000 ( 2529 PWs) bands (ev): -11.8648 -11.8648 -1.6846 -1.6846 -1.6507 -1.6507 -1.1966 -1.1966 -1.1254 -1.1254 -1.0056 -1.0056 -0.6356 -0.6356 0.2943 0.2943 0.5493 0.5493 2.3592 2.3592 7.0858 7.0858 9.5241 9.5241 10.3494 10.3494 k = 0.0000 0.2763-0.0000 ( 2533 PWs) bands (ev): -11.8620 -11.8620 -1.6868 -1.6868 -1.6531 -1.6531 -1.2113 -1.2113 -1.1287 -1.1287 -1.0079 -1.0079 -0.6590 -0.6590 0.3077 0.3077 0.5588 0.5588 2.4443 2.4443 6.9398 6.9398 9.4833 9.4833 10.3809 10.3809 k = 0.0000 0.2895-0.0000 ( 2537 PWs) bands (ev): -11.8592 -11.8592 -1.6896 -1.6896 -1.6555 -1.6555 -1.2267 -1.2267 -1.1320 -1.1320 -1.0099 -1.0099 -0.6792 -0.6792 0.3209 0.3209 0.5682 0.5682 2.5300 2.5300 6.7957 6.7957 9.4434 9.4434 10.4130 10.4130 k = 0.0000 0.3026-0.0000 ( 2537 PWs) bands (ev): -11.8565 -11.8565 -1.6928 -1.6928 -1.6576 -1.6576 -1.2426 -1.2426 -1.1352 -1.1352 -1.0117 -1.0117 -0.6966 -0.6966 0.3337 0.3337 0.5774 0.5774 2.6162 2.6162 6.6536 6.6536 9.4048 9.4048 10.4454 10.4454 k = 0.0000 0.3158-0.0000 ( 2533 PWs) bands (ev): -11.8538 -11.8538 -1.6966 -1.6966 -1.6595 -1.6595 -1.2588 -1.2588 -1.1384 -1.1384 -1.0134 -1.0134 -0.7112 -0.7112 0.3461 0.3461 0.5863 0.5863 2.7028 2.7028 6.5140 6.5140 9.3675 9.3675 10.4715 10.4715 k = 0.0000 0.3289-0.0000 ( 2535 PWs) bands (ev): -11.8513 -11.8513 -1.7008 -1.7008 -1.6612 -1.6612 -1.2748 -1.2748 -1.1416 -1.1416 -1.0149 -1.0149 -0.7234 -0.7234 0.3580 0.3580 0.5948 0.5948 2.7895 2.7895 6.3771 6.3771 9.3320 9.3320 10.4439 10.4439 k = 0.0000 0.3421-0.0000 ( 2532 PWs) bands (ev): -11.8488 -11.8488 -1.7055 -1.7055 -1.6626 -1.6626 -1.2906 -1.2906 -1.1446 -1.1446 -1.0162 -1.0162 -0.7334 -0.7334 0.3693 0.3693 0.6030 0.6030 2.8761 2.8761 6.2434 6.2434 9.2983 9.2983 10.4163 10.4163 k = 0.0000 0.3553-0.0000 ( 2528 PWs) bands (ev): -11.8465 -11.8465 -1.7104 -1.7104 -1.6638 -1.6638 -1.3057 -1.3057 -1.1475 -1.1475 -1.0173 -1.0173 -0.7415 -0.7415 0.3800 0.3800 0.6107 0.6107 2.9624 2.9624 6.1133 6.1133 9.2666 9.2666 10.3902 10.3902 k = 0.0000 0.3684-0.0000 ( 2520 PWs) bands (ev): -11.8443 -11.8443 -1.7155 -1.7155 -1.6648 -1.6648 -1.3199 -1.3199 -1.1502 -1.1502 -1.0183 -1.0183 -0.7481 -0.7481 0.3900 0.3900 0.6180 0.6180 3.0479 3.0479 5.9873 5.9873 9.2371 9.2371 10.3659 10.3659 k = 0.0000 0.3816-0.0000 ( 2520 PWs) bands (ev): -11.8423 -11.8423 -1.7207 -1.7207 -1.6657 -1.6657 -1.3332 -1.3332 -1.1528 -1.1528 -1.0191 -1.0191 -0.7533 -0.7533 0.3992 0.3992 0.6247 0.6247 3.1321 3.1321 5.8661 5.8661 9.2099 9.2099 10.3435 10.3435 k = 0.0000 0.3947-0.0000 ( 2522 PWs) bands (ev): -11.8404 -11.8404 -1.7259 -1.7259 -1.6665 -1.6665 -1.3453 -1.3453 -1.1552 -1.1552 -1.0199 -1.0199 -0.7574 -0.7574 0.4076 0.4076 0.6308 0.6308 3.2143 3.2143 5.7506 5.7506 9.1853 9.1853 10.3231 10.3231 k = 0.0000 0.4079-0.0000 ( 2534 PWs) bands (ev): -11.8388 -11.8388 -1.7309 -1.7309 -1.6671 -1.6671 -1.3561 -1.3561 -1.1573 -1.1573 -1.0205 -1.0205 -0.7606 -0.7606 0.4151 0.4151 0.6363 0.6363 3.2935 3.2935 5.6416 5.6416 9.1632 9.1632 10.3048 10.3048 k = 0.0000 0.4211-0.0000 ( 2538 PWs) bands (ev): -11.8373 -11.8373 -1.7355 -1.7355 -1.6676 -1.6676 -1.3656 -1.3656 -1.1592 -1.1592 -1.0211 -1.0211 -0.7631 -0.7631 0.4217 0.4217 0.6411 0.6411 3.3686 3.3686 5.5405 5.5405 9.1439 9.1439 10.2888 10.2888 k = 0.0000 0.4342-0.0000 ( 2532 PWs) bands (ev): -11.8360 -11.8360 -1.7396 -1.7396 -1.6680 -1.6680 -1.3736 -1.3736 -1.1608 -1.1608 -1.0215 -1.0215 -0.7649 -0.7649 0.4274 0.4274 0.6452 0.6452 3.4382 3.4382 5.4490 5.4490 9.1274 9.1274 10.2750 10.2750 k = 0.0000 0.4474-0.0000 ( 2532 PWs) bands (ev): -11.8350 -11.8350 -1.7431 -1.7431 -1.6684 -1.6684 -1.3802 -1.3802 -1.1621 -1.1621 -1.0218 -1.0218 -0.7663 -0.7663 0.4321 0.4321 0.6487 0.6487 3.5001 3.5001 5.3689 5.3689 9.1137 9.1137 10.2637 10.2637 k = 0.0000 0.4605-0.0000 ( 2524 PWs) bands (ev): -11.8342 -11.8342 -1.7459 -1.7459 -1.6686 -1.6686 -1.3853 -1.3853 -1.1632 -1.1632 -1.0221 -1.0221 -0.7672 -0.7672 0.4357 0.4357 0.6514 0.6514 3.5522 3.5522 5.3026 5.3026 9.1031 9.1031 10.2548 10.2548 k = 0.0000 0.4737-0.0000 ( 2532 PWs) bands (ev): -11.8336 -11.8336 -1.7481 -1.7481 -1.6688 -1.6688 -1.3890 -1.3890 -1.1639 -1.1639 -1.0223 -1.0223 -0.7679 -0.7679 0.4384 0.4384 0.6533 0.6533 3.5920 3.5920 5.2527 5.2527 9.0954 9.0954 10.2484 10.2484 k = 0.0000 0.4868-0.0000 ( 2538 PWs) bands (ev): -11.8332 -11.8332 -1.7494 -1.7494 -1.6690 -1.6690 -1.3912 -1.3912 -1.1644 -1.1644 -1.0224 -1.0224 -0.7682 -0.7682 0.4399 0.4399 0.6545 0.6545 3.6171 3.6171 5.2215 5.2215 9.0908 9.0908 10.2446 10.2446 k = 0.0000 0.5000-0.0000 ( 2534 PWs) bands (ev): -11.8331 -11.8331 -1.7498 -1.7498 -1.6690 -1.6690 -1.3919 -1.3919 -1.1645 -1.1645 -1.0224 -1.0224 -0.7684 -0.7684 0.4405 0.4405 0.6549 0.6549 3.6257 3.6257 5.2109 5.2109 9.0893 9.0893 10.2433 10.2433 k = 0.0000 0.5000-0.0000 ( 2534 PWs) bands (ev): -11.8331 -11.8331 -1.7498 -1.7498 -1.6690 -1.6690 -1.3919 -1.3919 -1.1645 -1.1645 -1.0224 -1.0224 -0.7684 -0.7684 0.4405 0.4405 0.6549 0.6549 3.6257 3.6257 5.2109 5.2109 9.0893 9.0893 10.2433 10.2433 k = 0.0132 0.5000-0.0000 ( 2530 PWs) bands (ev): -11.8330 -11.8330 -1.7494 -1.7494 -1.6689 -1.6689 -1.3915 -1.3915 -1.1644 -1.1644 -1.0225 -1.0225 -0.7682 -0.7682 0.4385 0.4385 0.6546 0.6546 3.6243 3.6243 5.2143 5.2143 9.0842 9.0842 10.2450 10.2450 k = 0.0263 0.5000-0.0000 ( 2526 PWs) bands (ev): -11.8328 -11.8328 -1.7484 -1.7484 -1.6685 -1.6685 -1.3901 -1.3901 -1.1640 -1.1640 -1.0225 -1.0225 -0.7679 -0.7679 0.4324 0.4324 0.6540 0.6540 3.6204 3.6204 5.2245 5.2245 9.0691 9.0691 10.2499 10.2499 k = 0.0395 0.5000-0.0000 ( 2522 PWs) bands (ev): -11.8323 -11.8323 -1.7466 -1.7466 -1.6679 -1.6679 -1.3879 -1.3879 -1.1634 -1.1634 -1.0227 -1.0227 -0.7673 -0.7673 0.4224 0.4224 0.6529 0.6529 3.6138 3.6138 5.2414 5.2414 9.0444 9.0444 10.2582 10.2582 k = 0.0526 0.5000-0.0000 ( 2522 PWs) bands (ev): -11.8317 -11.8317 -1.7441 -1.7441 -1.6671 -1.6671 -1.3848 -1.3848 -1.1626 -1.1626 -1.0229 -1.0229 -0.7665 -0.7665 0.4085 0.4085 0.6516 0.6516 3.6046 3.6046 5.2649 5.2649 9.0107 9.0107 10.2698 10.2698 k = 0.0658 0.5000-0.0000 ( 2522 PWs) bands (ev): -11.8309 -11.8309 -1.7411 -1.7411 -1.6661 -1.6661 -1.3807 -1.3807 -1.1615 -1.1615 -1.0233 -1.0233 -0.7655 -0.7655 0.3908 0.3908 0.6499 0.6499 3.5929 3.5929 5.2948 5.2948 8.9689 8.9689 10.2848 10.2848 k = 0.0789 0.5000-0.0000 ( 2522 PWs) bands (ev): -11.8300 -11.8300 -1.7375 -1.7375 -1.6648 -1.6648 -1.3757 -1.3757 -1.1602 -1.1602 -1.0236 -1.0236 -0.7643 -0.7643 0.3695 0.3695 0.6481 0.6481 3.5786 3.5786 5.3308 5.3308 8.9201 8.9201 10.3032 10.3032 k = 0.0921 0.5000-0.0000 ( 2520 PWs) bands (ev): -11.8289 -11.8289 -1.7334 -1.7334 -1.6632 -1.6632 -1.3697 -1.3697 -1.1586 -1.1586 -1.0240 -1.0240 -0.7628 -0.7628 0.3448 0.3448 0.6460 0.6460 3.5618 3.5618 5.3727 5.3727 8.8651 8.8651 10.3249 10.3249 k = 0.1053 0.5000-0.0000 ( 2516 PWs) bands (ev): -11.8276 -11.8276 -1.7290 -1.7290 -1.6614 -1.6614 -1.3627 -1.3627 -1.1568 -1.1568 -1.0245 -1.0245 -0.7611 -0.7611 0.3170 0.3170 0.6439 0.6439 3.5427 3.5427 5.4201 5.4201 8.8052 8.8052 10.3501 10.3501 k = 0.1184 0.5000-0.0000 ( 2520 PWs) bands (ev): -11.8262 -11.8262 -1.7243 -1.7243 -1.6594 -1.6594 -1.3547 -1.3547 -1.1549 -1.1549 -1.0249 -1.0249 -0.7592 -0.7592 0.2863 0.2863 0.6416 0.6416 3.5211 3.5211 5.4727 5.4727 8.7412 8.7412 10.3786 10.3786 k = 0.1316 0.5000-0.0000 ( 2516 PWs) bands (ev): -11.8247 -11.8247 -1.7194 -1.7194 -1.6570 -1.6570 -1.3457 -1.3457 -1.1526 -1.1526 -1.0254 -1.0254 -0.7570 -0.7570 0.2531 0.2531 0.6393 0.6393 3.4974 3.4974 5.5302 5.5302 8.6742 8.6742 10.4105 10.4105 k = 0.1447 0.5000-0.0000 ( 2520 PWs) bands (ev): -11.8231 -11.8231 -1.7145 -1.7145 -1.6543 -1.6543 -1.3358 -1.3358 -1.1502 -1.1502 -1.0259 -1.0259 -0.7546 -0.7546 0.2175 0.2175 0.6368 0.6368 3.4715 3.4715 5.5921 5.5921 8.6051 8.6051 10.4458 10.4458 k = 0.1579 0.5000-0.0000 ( 2524 PWs) bands (ev): -11.8213 -11.8213 -1.7096 -1.7096 -1.6513 -1.6513 -1.3248 -1.3248 -1.1476 -1.1476 -1.0263 -1.0263 -0.7519 -0.7519 0.1801 0.1801 0.6343 0.6343 3.4435 3.4435 5.6582 5.6582 8.5347 8.5347 10.4842 10.4842 k = 0.1711 0.5000-0.0000 ( 2524 PWs) bands (ev): -11.8194 -11.8194 -1.7048 -1.7048 -1.6479 -1.6479 -1.3129 -1.3129 -1.1447 -1.1447 -1.0267 -1.0267 -0.7489 -0.7489 0.1411 0.1411 0.6318 0.6318 3.4136 3.4136 5.7281 5.7281 8.4636 8.4636 10.5260 10.5260 k = 0.1842 0.5000-0.0000 ( 2528 PWs) bands (ev): -11.8175 -11.8175 -1.7002 -1.7002 -1.6443 -1.6443 -1.3001 -1.3001 -1.1416 -1.1416 -1.0271 -1.0271 -0.7457 -0.7457 0.1008 0.1008 0.6292 0.6292 3.3820 3.3820 5.8014 5.8014 8.3927 8.3927 10.5709 10.5709 k = 0.1974 0.5000-0.0000 ( 2528 PWs) bands (ev): -11.8155 -11.8155 -1.6958 -1.6958 -1.6402 -1.6402 -1.2865 -1.2865 -1.1384 -1.1384 -1.0273 -1.0273 -0.7422 -0.7422 0.0595 0.0595 0.6265 0.6265 3.3488 3.3488 5.8776 5.8776 8.3223 8.3223 10.6189 10.6189 k = 0.2105 0.5000-0.0000 ( 2528 PWs) bands (ev): -11.8134 -11.8134 -1.6918 -1.6918 -1.6359 -1.6359 -1.2721 -1.2721 -1.1349 -1.1349 -1.0274 -1.0274 -0.7384 -0.7384 0.0175 0.0175 0.6239 0.6239 3.3141 3.3141 5.9565 5.9565 8.2530 8.2530 10.6699 10.6699 k = 0.2237 0.5000-0.0000 ( 2528 PWs) bands (ev): -11.8113 -11.8113 -1.6881 -1.6881 -1.6314 -1.6314 -1.2572 -1.2572 -1.1311 -1.1311 -1.0273 -1.0273 -0.7342 -0.7342 -0.0248 -0.0248 0.6211 0.6211 3.2781 3.2781 6.0377 6.0377 8.1852 8.1852 10.7237 10.7237 k = 0.2368 0.5000-0.0000 ( 2528 PWs) bands (ev): -11.8091 -11.8091 -1.6846 -1.6846 -1.6266 -1.6266 -1.2419 -1.2419 -1.1271 -1.1271 -1.0270 -1.0270 -0.7298 -0.7298 -0.0674 -0.0674 0.6184 0.6184 3.2411 3.2411 6.1207 6.1207 8.1193 8.1193 10.7803 10.7803 k = 0.2500 0.5000-0.0000 ( 2532 PWs) bands (ev): -11.8069 -11.8069 -1.6815 -1.6815 -1.6218 -1.6218 -1.2264 -1.2264 -1.1227 -1.1227 -1.0265 -1.0265 -0.7250 -0.7250 -0.1098 -0.1098 0.6157 0.6157 3.2033 3.2033 6.2053 6.2053 8.0556 8.0556 10.8388 10.8388 k = 0.2632 0.5000-0.0000 ( 2524 PWs) bands (ev): -11.8048 -11.8048 -1.6786 -1.6786 -1.6167 -1.6167 -1.2110 -1.2110 -1.1180 -1.1180 -1.0256 -1.0256 -0.7199 -0.7199 -0.1518 -0.1518 0.6130 0.6130 3.1649 3.1649 6.2910 6.2910 7.9943 7.9943 10.8928 10.8928 k = 0.2763 0.5000-0.0000 ( 2524 PWs) bands (ev): -11.8026 -11.8026 -1.6759 -1.6759 -1.6117 -1.6117 -1.1961 -1.1961 -1.1127 -1.1127 -1.0244 -1.0244 -0.7145 -0.7145 -0.1933 -0.1933 0.6104 0.6104 3.1262 3.1262 6.3774 6.3774 7.9357 7.9357 10.8894 10.8894 k = 0.2895 0.5000-0.0000 ( 2526 PWs) bands (ev): -11.8005 -11.8005 -1.6735 -1.6735 -1.6067 -1.6067 -1.1820 -1.1820 -1.1069 -1.1069 -1.0228 -1.0228 -0.7087 -0.7087 -0.2340 -0.2340 0.6077 0.6077 3.0874 3.0874 6.4642 6.4642 7.8800 7.8800 10.8566 10.8566 k = 0.3026 0.5000-0.0000 ( 2524 PWs) bands (ev): -11.7984 -11.7984 -1.6712 -1.6712 -1.6017 -1.6017 -1.1691 -1.1691 -1.1003 -1.1003 -1.0206 -1.0206 -0.7026 -0.7026 -0.2737 -0.2737 0.6052 0.6052 3.0488 3.0488 6.5508 6.5508 7.8273 7.8273 10.8156 10.8156 k = 0.3158 0.5000-0.0000 ( 2522 PWs) bands (ev): -11.7963 -11.7963 -1.6692 -1.6692 -1.5968 -1.5968 -1.1578 -1.1578 -1.0928 -1.0928 -1.0178 -1.0178 -0.6963 -0.6963 -0.3122 -0.3122 0.6027 0.6027 3.0106 3.0106 6.6369 6.6369 7.7778 7.7778 10.7686 10.7686 k = 0.3289 0.5000-0.0000 ( 2512 PWs) bands (ev): -11.7944 -11.7944 -1.6673 -1.6673 -1.5919 -1.5919 -1.1482 -1.1482 -1.0846 -1.0846 -1.0143 -1.0143 -0.6896 -0.6896 -0.3493 -0.3493 0.6003 0.6003 2.9733 2.9733 6.7219 6.7219 7.7315 7.7315 10.7165 10.7165 k = 0.3421 0.5000-0.0000 ( 2512 PWs) bands (ev): -11.7925 -11.7925 -1.6656 -1.6656 -1.5872 -1.5872 -1.1404 -1.1404 -1.0761 -1.0761 -1.0099 -1.0099 -0.6828 -0.6828 -0.3848 -0.3848 0.5980 0.5980 2.9371 2.9371 6.8053 6.8053 7.6888 7.6888 10.6606 10.6606 k = 0.3553 0.5000-0.0000 ( 2518 PWs) bands (ev): -11.7907 -11.7907 -1.6640 -1.6640 -1.5828 -1.5828 -1.1340 -1.1340 -1.0677 -1.0677 -1.0047 -1.0047 -0.6760 -0.6760 -0.4186 -0.4186 0.5958 0.5958 2.9023 2.9023 6.8863 6.8863 7.6495 7.6495 10.6019 10.6019 k = 0.3684 0.5000-0.0000 ( 2528 PWs) bands (ev): -11.7890 -11.7890 -1.6627 -1.6627 -1.5786 -1.5786 -1.1289 -1.1289 -1.0598 -1.0598 -0.9986 -0.9986 -0.6691 -0.6691 -0.4504 -0.4504 0.5938 0.5938 2.8692 2.8692 6.9643 6.9643 7.6139 7.6139 10.5418 10.5418 k = 0.3816 0.5000-0.0000 ( 2532 PWs) bands (ev): -11.7875 -11.7875 -1.6614 -1.6614 -1.5746 -1.5746 -1.1248 -1.1248 -1.0528 -1.0528 -0.9918 -0.9918 -0.6625 -0.6625 -0.4799 -0.4799 0.5919 0.5919 2.8381 2.8381 7.0386 7.0386 7.5822 7.5822 10.4814 10.4814 k = 0.3947 0.5000-0.0000 ( 2536 PWs) bands (ev): -11.7860 -11.7860 -1.6603 -1.6603 -1.5709 -1.5709 -1.1215 -1.1215 -1.0466 -1.0466 -0.9844 -0.9844 -0.6562 -0.6562 -0.5069 -0.5069 0.5902 0.5902 2.8093 2.8093 7.1079 7.1079 7.5545 7.5545 10.4222 10.4222 k = 0.4079 0.5000-0.0000 ( 2538 PWs) bands (ev): -11.7848 -11.7848 -1.6593 -1.6593 -1.5675 -1.5675 -1.1187 -1.1187 -1.0412 -1.0412 -0.9770 -0.9770 -0.6507 -0.6507 -0.5311 -0.5311 0.5887 0.5887 2.7831 2.7831 7.1714 7.1714 7.5312 7.5312 10.3655 10.3655 k = 0.4211 0.5000-0.0000 ( 2542 PWs) bands (ev): -11.7836 -11.7836 -1.6585 -1.6585 -1.5644 -1.5644 -1.1165 -1.1165 -1.0367 -1.0367 -0.9697 -0.9697 -0.6463 -0.6463 -0.5520 -0.5520 0.5873 0.5873 2.7598 2.7598 7.2274 7.2274 7.5127 7.5127 10.3127 10.3127 k = 0.4342 0.5000-0.0000 ( 2546 PWs) bands (ev): -11.7827 -11.7827 -1.6578 -1.6578 -1.5618 -1.5618 -1.1148 -1.1148 -1.0328 -1.0328 -0.9631 -0.9631 -0.6435 -0.6435 -0.5690 -0.5690 0.5862 0.5862 2.7396 2.7396 7.2744 7.2744 7.4998 7.4998 10.2650 10.2650 k = 0.4474 0.5000-0.0000 ( 2546 PWs) bands (ev): -11.7819 -11.7819 -1.6572 -1.6572 -1.5596 -1.5596 -1.1134 -1.1134 -1.0297 -1.0297 -0.9571 -0.9571 -0.6428 -0.6428 -0.5816 -0.5816 0.5852 0.5852 2.7228 2.7228 7.3107 7.3107 7.4932 7.4932 10.2239 10.2239 k = 0.4605 0.5000-0.0000 ( 2546 PWs) bands (ev): -11.7812 -11.7812 -1.6567 -1.6567 -1.5578 -1.5578 -1.1123 -1.1123 -1.0272 -1.0272 -0.9523 -0.9523 -0.6443 -0.6443 -0.5895 -0.5895 0.5844 0.5844 2.7095 2.7095 7.3354 7.3354 7.4928 7.4928 10.1904 10.1904 k = 0.4737 0.5000-0.0000 ( 2548 PWs) bands (ev): -11.7808 -11.7808 -1.6564 -1.6564 -1.5565 -1.5565 -1.1116 -1.1116 -1.0253 -1.0253 -0.9486 -0.9486 -0.6470 -0.6470 -0.5937 -0.5937 0.5839 0.5839 2.6999 2.6999 7.3497 7.3497 7.4965 7.4965 10.1657 10.1657 k = 0.4868 0.5000-0.0000 ( 2548 PWs) bands (ev): -11.7805 -11.7805 -1.6562 -1.6562 -1.5558 -1.5558 -1.1111 -1.1111 -1.0242 -1.0242 -0.9464 -0.9464 -0.6494 -0.6494 -0.5955 -0.5955 0.5836 0.5836 2.6941 2.6941 7.3565 7.3565 7.5009 7.5009 10.1505 10.1505 k = 0.5000 0.5000-0.0000 ( 2560 PWs) bands (ev): -11.7804 -11.7804 -1.6562 -1.6562 -1.5555 -1.5555 -1.1111 -1.1111 -1.0239 -1.0239 -0.9456 -0.9456 -0.6503 -0.6503 -0.5960 -0.5960 0.5835 0.5835 2.6922 2.6922 7.3584 7.3584 7.5027 7.5027 10.1453 10.1453 k = 0.5000 0.5000-0.0000 ( 2560 PWs) bands (ev): -11.7804 -11.7804 -1.6562 -1.6562 -1.5555 -1.5555 -1.1111 -1.1111 -1.0239 -1.0239 -0.9456 -0.9456 -0.6503 -0.6503 -0.5960 -0.5960 0.5835 0.5835 2.6922 2.6922 7.3584 7.3584 7.5027 7.5027 10.1453 10.1453 k = 0.4906 0.4906-0.0000 ( 2548 PWs) bands (ev): -11.7805 -11.7805 -1.6562 -1.6562 -1.5558 -1.5558 -1.1112 -1.1112 -1.0243 -1.0243 -0.9464 -0.9464 -0.6493 -0.6493 -0.5955 -0.5955 0.5836 0.5836 2.6942 2.6942 7.3565 7.3565 7.5008 7.5008 10.1506 10.1506 k = 0.4811 0.4811-0.0000 ( 2544 PWs) bands (ev): -11.7808 -11.7808 -1.6564 -1.6564 -1.5565 -1.5565 -1.1116 -1.1116 -1.0254 -1.0254 -0.9486 -0.9486 -0.6465 -0.6465 -0.5941 -0.5941 0.5839 0.5839 2.7001 2.7001 7.3502 7.3502 7.4956 7.4956 10.1662 10.1662 k = 0.4717 0.4717-0.0000 ( 2542 PWs) bands (ev): -11.7813 -11.7813 -1.6567 -1.6567 -1.5579 -1.5579 -1.1123 -1.1123 -1.0273 -1.0273 -0.9523 -0.9523 -0.6420 -0.6420 -0.5916 -0.5916 0.5845 0.5845 2.7099 2.7099 7.3382 7.3382 7.4892 7.4892 10.1917 10.1917 k = 0.4623 0.4623-0.0000 ( 2544 PWs) bands (ev): -11.7819 -11.7819 -1.6572 -1.6572 -1.5597 -1.5597 -1.1134 -1.1134 -1.0299 -1.0299 -0.9570 -0.9570 -0.6364 -0.6364 -0.5878 -0.5878 0.5852 0.5852 2.7234 2.7234 7.3190 7.3190 7.4838 7.4838 10.2263 10.2263 k = 0.4528 0.4528-0.0000 ( 2544 PWs) bands (ev): -11.7827 -11.7827 -1.6578 -1.6578 -1.5620 -1.5620 -1.1147 -1.1147 -1.0333 -1.0333 -0.9624 -0.9624 -0.6302 -0.6302 -0.5824 -0.5824 0.5861 0.5861 2.7402 2.7402 7.2917 7.2917 7.4813 7.4813 10.2688 10.2688 k = 0.4434 0.4434-0.0000 ( 2544 PWs) bands (ev): -11.7838 -11.7838 -1.6585 -1.6585 -1.5647 -1.5647 -1.1164 -1.1164 -1.0374 -1.0374 -0.9684 -0.9684 -0.6239 -0.6239 -0.5751 -0.5751 0.5872 0.5872 2.7602 2.7602 7.2568 7.2568 7.4824 7.4824 10.3183 10.3183 k = 0.4340 0.4340-0.0000 ( 2542 PWs) bands (ev): -11.7850 -11.7850 -1.6594 -1.6594 -1.5678 -1.5678 -1.1184 -1.1184 -1.0421 -1.0421 -0.9745 -0.9745 -0.6181 -0.6181 -0.5657 -0.5657 0.5884 0.5884 2.7828 2.7828 7.2158 7.2158 7.4869 7.4869 10.3735 10.3735 k = 0.4245 0.4245-0.0000 ( 2534 PWs) bands (ev): -11.7863 -11.7863 -1.6604 -1.6604 -1.5712 -1.5712 -1.1208 -1.1208 -1.0473 -1.0473 -0.9804 -0.9804 -0.6128 -0.6128 -0.5542 -0.5542 0.5896 0.5896 2.8075 2.8075 7.1705 7.1705 7.4943 7.4943 10.4330 10.4330 k = 0.4151 0.4151-0.0000 ( 2526 PWs) bands (ev): -11.7879 -11.7879 -1.6615 -1.6615 -1.5748 -1.5748 -1.1236 -1.1236 -1.0529 -1.0529 -0.9861 -0.9861 -0.6081 -0.6081 -0.5409 -0.5409 0.5909 0.5909 2.8339 2.8339 7.1225 7.1225 7.5044 7.5044 10.4957 10.4957 k = 0.4057 0.4057-0.0000 ( 2530 PWs) bands (ev): -11.7896 -11.7896 -1.6628 -1.6628 -1.5788 -1.5788 -1.1268 -1.1268 -1.0588 -1.0588 -0.9916 -0.9916 -0.6038 -0.6038 -0.5260 -0.5260 0.5922 0.5922 2.8613 2.8613 7.0735 7.0735 7.5167 7.5167 10.5604 10.5604 k = 0.3962 0.3962-0.0000 ( 2516 PWs) bands (ev): -11.7915 -11.7915 -1.6641 -1.6641 -1.5827 -1.5827 -1.1305 -1.1305 -1.0645 -1.0645 -0.9965 -0.9965 -0.5997 -0.5997 -0.5099 -0.5099 0.5935 0.5935 2.8891 2.8891 7.0249 7.0249 7.5310 7.5310 10.6259 10.6259 k = 0.3868 0.3868-0.0000 ( 2520 PWs) bands (ev): -11.7936 -11.7936 -1.6656 -1.6656 -1.5869 -1.5869 -1.1346 -1.1346 -1.0701 -1.0701 -1.0011 -1.0011 -0.5959 -0.5959 -0.4927 -0.4927 0.5947 0.5947 2.9164 2.9164 6.9781 6.9781 7.5472 7.5472 10.6910 10.6910 k = 0.3774 0.3774-0.0000 ( 2520 PWs) bands (ev): -11.7958 -11.7958 -1.6672 -1.6672 -1.5911 -1.5911 -1.1392 -1.1392 -1.0754 -1.0754 -1.0053 -1.0053 -0.5920 -0.5920 -0.4748 -0.4748 0.5957 0.5957 2.9426 2.9426 6.9345 6.9345 7.5653 7.5653 10.7548 10.7548 k = 0.3679 0.3679-0.0000 ( 2524 PWs) bands (ev): -11.7982 -11.7982 -1.6688 -1.6688 -1.5952 -1.5952 -1.1441 -1.1441 -1.0801 -1.0801 -1.0090 -1.0090 -0.5882 -0.5882 -0.4562 -0.4562 0.5965 0.5965 2.9668 2.9668 6.8952 6.8952 7.5851 7.5851 10.8160 10.8160 k = 0.3585 0.3585-0.0000 ( 2526 PWs) bands (ev): -11.8007 -11.8007 -1.6706 -1.6706 -1.5992 -1.5992 -1.1493 -1.1493 -1.0843 -1.0843 -1.0124 -1.0124 -0.5842 -0.5842 -0.4370 -0.4370 0.5971 0.5971 2.9881 2.9881 6.8614 6.8614 7.6066 7.6066 10.8737 10.8737 k = 0.3491 0.3491-0.0000 ( 2526 PWs) bands (ev): -11.8033 -11.8033 -1.6723 -1.6723 -1.6030 -1.6030 -1.1546 -1.1546 -1.0879 -1.0879 -1.0154 -1.0154 -0.5801 -0.5801 -0.4174 -0.4174 0.5975 0.5975 3.0058 3.0058 6.8340 6.8340 7.6299 7.6299 10.9265 10.9265 k = 0.3396 0.3396-0.0000 ( 2524 PWs) bands (ev): -11.8061 -11.8061 -1.6740 -1.6740 -1.6067 -1.6067 -1.1598 -1.1598 -1.0910 -1.0910 -1.0181 -1.0181 -0.5759 -0.5759 -0.3975 -0.3975 0.5974 0.5974 3.0189 3.0189 6.8143 6.8143 7.6548 7.6548 10.9718 10.9718 k = 0.3302 0.3302-0.0000 ( 2526 PWs) bands (ev): -11.8090 -11.8090 -1.6757 -1.6757 -1.6101 -1.6101 -1.1648 -1.1648 -1.0937 -1.0937 -1.0204 -1.0204 -0.5714 -0.5714 -0.3772 -0.3772 0.5971 0.5971 3.0269 3.0269 6.8029 6.8029 7.6814 7.6814 10.9953 10.9953 k = 0.3208 0.3208-0.0000 ( 2526 PWs) bands (ev): -11.8121 -11.8121 -1.6773 -1.6773 -1.6133 -1.6133 -1.1694 -1.1694 -1.0960 -1.0960 -1.0224 -1.0224 -0.5666 -0.5666 -0.3568 -0.3568 0.5963 0.5963 3.0290 3.0290 6.8006 6.8006 7.7098 7.7098 10.9699 10.9699 k = 0.3113 0.3113-0.0000 ( 2530 PWs) bands (ev): -11.8152 -11.8152 -1.6787 -1.6787 -1.6162 -1.6162 -1.1737 -1.1737 -1.0979 -1.0979 -1.0240 -1.0240 -0.5615 -0.5615 -0.3362 -0.3362 0.5950 0.5950 3.0246 3.0246 6.8081 6.8081 7.7398 7.7398 10.9327 10.9327 k = 0.3019 0.3019-0.0000 ( 2534 PWs) bands (ev): -11.8185 -11.8185 -1.6801 -1.6801 -1.6189 -1.6189 -1.1773 -1.1773 -1.0995 -1.0995 -1.0253 -1.0253 -0.5559 -0.5559 -0.3155 -0.3155 0.5933 0.5933 3.0135 3.0135 6.8257 6.8257 7.7716 7.7716 10.8971 10.8971 k = 0.2925 0.2925-0.0000 ( 2530 PWs) bands (ev): -11.8218 -11.8218 -1.6812 -1.6812 -1.6213 -1.6213 -1.1803 -1.1803 -1.1008 -1.1008 -1.0263 -1.0263 -0.5499 -0.5499 -0.2948 -0.2948 0.5912 0.5912 2.9953 2.9953 6.8536 6.8536 7.8051 7.8051 10.8647 10.8647 k = 0.2830 0.2830-0.0000 ( 2538 PWs) bands (ev): -11.8252 -11.8252 -1.6821 -1.6821 -1.6235 -1.6235 -1.1827 -1.1827 -1.1019 -1.1019 -1.0270 -1.0270 -0.5434 -0.5434 -0.2741 -0.2741 0.5885 0.5885 2.9701 2.9701 6.8920 6.8920 7.8404 7.8404 10.8359 10.8359 k = 0.2736 0.2736-0.0000 ( 2538 PWs) bands (ev): -11.8286 -11.8286 -1.6827 -1.6827 -1.6254 -1.6254 -1.1842 -1.1842 -1.1027 -1.1027 -1.0273 -1.0273 -0.5362 -0.5362 -0.2535 -0.2535 0.5852 0.5852 2.9378 2.9378 6.9407 6.9407 7.8776 7.8776 10.8108 10.8108 k = 0.2642 0.2642-0.0000 ( 2538 PWs) bands (ev): -11.8322 -11.8322 -1.6832 -1.6832 -1.6270 -1.6270 -1.1850 -1.1850 -1.1033 -1.1033 -1.0273 -1.0273 -0.5284 -0.5284 -0.2331 -0.2331 0.5815 0.5815 2.8987 2.8987 6.9993 6.9993 7.9165 7.9165 10.7895 10.7895 k = 0.2547 0.2547-0.0000 ( 2530 PWs) bands (ev): -11.8357 -11.8357 -1.6834 -1.6834 -1.6284 -1.6284 -1.1850 -1.1850 -1.1037 -1.1037 -1.0269 -1.0269 -0.5198 -0.5198 -0.2128 -0.2128 0.5772 0.5772 2.8533 2.8533 7.0676 7.0676 7.9573 7.9573 10.7718 10.7718 k = 0.2453 0.2453-0.0000 ( 2526 PWs) bands (ev): -11.8393 -11.8393 -1.6833 -1.6833 -1.6296 -1.6296 -1.1841 -1.1841 -1.1040 -1.1040 -1.0263 -1.0263 -0.5103 -0.5103 -0.1928 -0.1928 0.5724 0.5724 2.8019 2.8019 7.1449 7.1449 8.0000 8.0000 10.7578 10.7578 k = 0.2358 0.2358-0.0000 ( 2534 PWs) bands (ev): -11.8429 -11.8429 -1.6832 -1.6832 -1.6307 -1.6307 -1.1825 -1.1825 -1.1041 -1.1041 -1.0253 -1.0253 -0.4999 -0.4999 -0.1730 -0.1730 0.5671 0.5671 2.7449 2.7449 7.2307 7.2307 8.0447 8.0447 10.7473 10.7473 k = 0.2264 0.2264-0.0000 ( 2534 PWs) bands (ev): -11.8465 -11.8465 -1.6828 -1.6828 -1.6315 -1.6315 -1.1802 -1.1802 -1.1041 -1.1041 -1.0239 -1.0239 -0.4884 -0.4884 -0.1536 -0.1536 0.5614 0.5614 2.6831 2.6831 7.3242 7.3242 8.0914 8.0914 10.7401 10.7401 k = 0.2170 0.2170-0.0000 ( 2540 PWs) bands (ev): -11.8501 -11.8501 -1.6824 -1.6824 -1.6322 -1.6322 -1.1771 -1.1771 -1.1039 -1.1039 -1.0223 -1.0223 -0.4757 -0.4757 -0.1346 -0.1346 0.5552 0.5552 2.6168 2.6168 7.4249 7.4249 8.1401 8.1401 10.7362 10.7362 k = 0.2075 0.2075-0.0000 ( 2528 PWs) bands (ev): -11.8537 -11.8537 -1.6818 -1.6818 -1.6326 -1.6326 -1.1733 -1.1733 -1.1035 -1.1035 -1.0202 -1.0202 -0.4618 -0.4618 -0.1159 -0.1159 0.5485 0.5485 2.5468 2.5468 7.5320 7.5320 8.1910 8.1910 10.7353 10.7353 k = 0.1981 0.1981-0.0000 ( 2524 PWs) bands (ev): -11.8573 -11.8573 -1.6811 -1.6811 -1.6329 -1.6329 -1.1690 -1.1690 -1.1030 -1.1030 -1.0178 -1.0178 -0.4464 -0.4464 -0.0978 -0.0978 0.5416 0.5416 2.4734 2.4734 7.6447 7.6447 8.2441 8.2441 10.7372 10.7372 k = 0.1887 0.1887-0.0000 ( 2528 PWs) bands (ev): -11.8608 -11.8608 -1.6805 -1.6805 -1.6331 -1.6331 -1.1642 -1.1642 -1.1025 -1.1025 -1.0152 -1.0152 -0.4296 -0.4296 -0.0802 -0.0802 0.5343 0.5343 2.3974 2.3974 7.7623 7.7623 8.2996 8.2996 10.7413 10.7413 k = 0.1792 0.1792-0.0000 ( 2532 PWs) bands (ev): -11.8642 -11.8642 -1.6799 -1.6799 -1.6331 -1.6331 -1.1590 -1.1590 -1.1019 -1.1019 -1.0122 -1.0122 -0.4111 -0.4111 -0.0631 -0.0631 0.5267 0.5267 2.3191 2.3191 7.8839 7.8839 8.3576 8.3576 10.7470 10.7470 k = 0.1698 0.1698-0.0000 ( 2528 PWs) bands (ev): -11.8676 -11.8676 -1.6793 -1.6793 -1.6330 -1.6330 -1.1535 -1.1535 -1.1011 -1.1011 -1.0089 -1.0089 -0.3910 -0.3910 -0.0466 -0.0466 0.5189 0.5189 2.2390 2.2390 8.0086 8.0086 8.4183 8.4183 10.7526 10.7526 k = 0.1604 0.1604-0.0000 ( 2532 PWs) bands (ev): -11.8708 -11.8708 -1.6787 -1.6787 -1.6329 -1.6329 -1.1479 -1.1479 -1.1002 -1.1002 -1.0054 -1.0054 -0.3691 -0.3691 -0.0308 -0.0308 0.5110 0.5110 2.1577 2.1577 8.1354 8.1354 8.4823 8.4823 10.7543 10.7543 k = 0.1509 0.1509-0.0000 ( 2528 PWs) bands (ev): -11.8740 -11.8740 -1.6782 -1.6782 -1.6326 -1.6326 -1.1422 -1.1422 -1.0992 -1.0992 -1.0016 -1.0016 -0.3453 -0.3453 -0.0156 -0.0156 0.5030 0.5030 2.0756 2.0756 8.2629 8.2629 8.5501 8.5501 10.7442 10.7442 k = 0.1415 0.1415-0.0000 ( 2532 PWs) bands (ev): -11.8770 -11.8770 -1.6777 -1.6777 -1.6324 -1.6324 -1.1367 -1.1367 -1.0982 -1.0982 -0.9977 -0.9977 -0.3197 -0.3197 -0.0010 -0.0010 0.4951 0.4951 1.9932 1.9932 8.3892 8.3892 8.6231 8.6231 10.7206 10.7206 k = 0.1321 0.1321-0.0000 ( 2532 PWs) bands (ev): -11.8799 -11.8799 -1.6774 -1.6774 -1.6320 -1.6320 -1.1313 -1.1313 -1.0970 -1.0970 -0.9936 -0.9936 -0.2922 -0.2922 0.0128 0.0128 0.4872 0.4872 1.9107 1.9107 8.5111 8.5111 8.7036 8.7036 10.6904 10.6904 k = 0.1226 0.1226-0.0000 ( 2525 PWs) bands (ev): -11.8827 -11.8827 -1.6770 -1.6770 -1.6317 -1.6317 -1.1262 -1.1262 -1.0956 -1.0956 -0.9893 -0.9893 -0.2630 -0.2630 0.0259 0.0259 0.4794 0.4794 1.8288 1.8288 8.6246 8.6246 8.7949 8.7949 10.6578 10.6578 k = 0.1132 0.1132-0.0000 ( 2525 PWs) bands (ev): -11.8853 -11.8853 -1.6767 -1.6767 -1.6313 -1.6313 -1.1216 -1.1216 -1.0941 -1.0941 -0.9851 -0.9851 -0.2321 -0.2321 0.0383 0.0383 0.4719 0.4719 1.7478 1.7478 8.7266 8.7266 8.8992 8.8992 10.6244 10.6244 k = 0.1038 0.1038-0.0000 ( 2529 PWs) bands (ev): -11.8878 -11.8878 -1.6765 -1.6765 -1.6310 -1.6310 -1.1175 -1.1175 -1.0924 -1.0924 -0.9810 -0.9810 -0.1997 -0.1997 0.0499 0.0499 0.4647 0.4647 1.6682 1.6682 8.8188 8.8188 9.0142 9.0142 10.5907 10.5907 k = 0.0943 0.0943-0.0000 ( 2529 PWs) bands (ev): -11.8901 -11.8901 -1.6764 -1.6764 -1.6307 -1.6307 -1.1140 -1.1140 -1.0905 -1.0905 -0.9770 -0.9770 -0.1663 -0.1663 0.0609 0.0609 0.4579 0.4579 1.5906 1.5906 8.9053 8.9053 9.1347 9.1347 10.5564 10.5564 k = 0.0849 0.0849-0.0000 ( 2533 PWs) bands (ev): -11.8921 -11.8921 -1.6762 -1.6762 -1.6304 -1.6304 -1.1111 -1.1111 -1.0885 -1.0885 -0.9731 -0.9731 -0.1321 -0.1321 0.0713 0.0713 0.4516 0.4516 1.5154 1.5154 8.9894 8.9894 9.2563 9.2563 10.5214 10.5214 k = 0.0755 0.0755-0.0000 ( 2539 PWs) bands (ev): -11.8940 -11.8940 -1.6762 -1.6762 -1.6301 -1.6301 -1.1087 -1.1087 -1.0864 -1.0864 -0.9695 -0.9695 -0.0978 -0.0978 0.0813 0.0813 0.4457 0.4457 1.4434 1.4434 9.0729 9.0729 9.3760 9.3760 10.4848 10.4848 k = 0.0660 0.0660-0.0000 ( 2533 PWs) bands (ev): -11.8957 -11.8957 -1.6761 -1.6761 -1.6298 -1.6298 -1.1068 -1.1068 -1.0842 -1.0842 -0.9662 -0.9662 -0.0642 -0.0642 0.0909 0.0909 0.4405 0.4405 1.3753 1.3753 9.1566 9.1566 9.4918 9.4918 10.4453 10.4453 k = 0.0566 0.0566-0.0000 ( 2533 PWs) bands (ev): -11.8972 -11.8972 -1.6760 -1.6760 -1.6296 -1.6296 -1.1053 -1.1053 -1.0822 -1.0822 -0.9632 -0.9632 -0.0325 -0.0325 0.1005 0.1005 0.4360 0.4360 1.3121 1.3121 9.2406 9.2406 9.6019 9.6019 10.4011 10.4011 k = 0.0472 0.0472-0.0000 ( 2533 PWs) bands (ev): -11.8985 -11.8985 -1.6760 -1.6760 -1.6294 -1.6294 -1.1042 -1.1042 -1.0803 -1.0803 -0.9606 -0.9606 -0.0039 -0.0039 0.1104 0.1104 0.4321 0.4321 1.2547 1.2547 9.3247 9.3247 9.7043 9.7043 10.3492 10.3492 k = 0.0377 0.0377-0.0000 ( 2537 PWs) bands (ev): -11.8995 -11.8995 -1.6760 -1.6760 -1.6293 -1.6293 -1.1033 -1.1033 -1.0787 -1.0787 -0.9585 -0.9585 0.0201 0.0201 0.1210 0.1210 0.4290 0.4290 1.2046 1.2046 9.4081 9.4081 9.7966 9.7966 10.2885 10.2885 k = 0.0283 0.0283-0.0000 ( 2537 PWs) bands (ev): -11.9003 -11.9003 -1.6760 -1.6760 -1.6292 -1.6292 -1.1027 -1.1027 -1.0774 -1.0774 -0.9568 -0.9568 0.0383 0.0383 0.1319 0.1319 0.4267 0.4267 1.1633 1.1633 9.4887 9.4887 9.8747 9.8747 10.2246 10.2246 k = 0.0189 0.0189-0.0000 ( 2529 PWs) bands (ev): -11.9009 -11.9009 -1.6760 -1.6760 -1.6290 -1.6290 -1.1022 -1.1022 -1.0764 -1.0764 -0.9555 -0.9555 0.0505 0.0505 0.1419 0.1419 0.4251 0.4251 1.1322 1.1322 9.5625 9.5625 9.9292 9.9292 10.1735 10.1735 k = 0.0094 0.0094-0.0000 ( 2525 PWs) bands (ev): -11.9013 -11.9013 -1.6759 -1.6759 -1.6290 -1.6290 -1.1019 -1.1019 -1.0758 -1.0758 -0.9547 -0.9547 0.0574 0.0574 0.1490 0.1490 0.4242 0.4242 1.1128 1.1128 9.6199 9.6199 9.9478 9.9478 10.1554 10.1554 k = 0.0000 0.0000 0.0000 ( 2521 PWs) bands (ev): -11.9014 -11.9014 -1.6759 -1.6759 -1.6289 -1.6289 -1.1018 -1.1018 -1.0756 -1.0756 -0.9545 -0.9545 0.0596 0.0596 0.1516 0.1516 0.4239 0.4239 1.1062 1.1062 9.6431 9.6431 9.9462 9.9462 10.1586 10.1586 k = 0.0000 0.0000 0.0000 ( 2521 PWs) bands (ev): -11.9014 -11.9014 -1.6759 -1.6759 -1.6289 -1.6289 -1.1018 -1.1018 -1.0756 -1.0756 -0.9545 -0.9545 0.0596 0.0596 0.1516 0.1516 0.4239 0.4239 1.1062 1.1062 9.6431 9.6431 9.9462 9.9462 10.1586 10.1586 k = 0.0000 0.0000 0.0134 ( 2521 PWs) bands (ev): -11.9012 -11.9012 -1.6758 -1.6758 -1.6289 -1.6289 -1.1020 -1.1020 -1.0756 -1.0756 -0.9548 -0.9548 0.0601 0.0601 0.1522 0.1522 0.4170 0.4170 1.1135 1.1135 9.6441 9.6441 9.9426 9.9426 10.1496 10.1496 k = 0.0000 0.0000 0.0268 ( 2517 PWs) bands (ev): -11.9007 -11.9007 -1.6754 -1.6754 -1.6290 -1.6290 -1.1026 -1.1026 -1.0758 -1.0758 -0.9558 -0.9558 0.0615 0.0615 0.1542 0.1542 0.3974 0.3974 1.1346 1.1346 9.6471 9.6471 9.9307 9.9307 10.1245 10.1245 k = 0.0000 0.0000 0.0402 ( 2521 PWs) bands (ev): -11.8999 -11.8999 -1.6748 -1.6748 -1.6290 -1.6290 -1.1035 -1.1035 -1.0760 -1.0760 -0.9574 -0.9574 0.0637 0.0637 0.1574 0.1574 0.3673 0.3673 1.1675 1.1675 9.6520 9.6520 9.9063 9.9063 10.0890 10.0890 k = 0.0000 0.0000 0.0537 ( 2525 PWs) bands (ev): -11.8987 -11.8987 -1.6741 -1.6741 -1.6291 -1.6291 -1.1049 -1.1049 -1.0764 -1.0764 -0.9596 -0.9596 0.0666 0.0666 0.1618 0.1618 0.3292 0.3292 1.2095 1.2095 9.6590 9.6590 9.8622 9.8622 10.0523 10.0523 k = 0.0000 0.0000 0.0671 ( 2541 PWs) bands (ev): -11.8972 -11.8972 -1.6731 -1.6731 -1.6293 -1.6293 -1.1066 -1.1066 -1.0769 -1.0769 -0.9624 -0.9624 0.0697 0.0697 0.1675 0.1675 0.2860 0.2860 1.2586 1.2586 9.6678 9.6678 9.7933 9.7933 10.0222 10.0222 k = 0.0000 0.0000 0.0805 ( 2540 PWs) bands (ev): -11.8954 -11.8954 -1.6720 -1.6720 -1.6294 -1.6294 -1.1085 -1.1085 -1.0775 -1.0775 -0.9656 -0.9656 0.0722 0.0722 0.1743 0.1743 0.2403 0.2403 1.3129 1.3129 9.6787 9.6787 9.7013 9.7013 9.9992 9.9992 k = 0.0000 0.0000 0.0939 ( 2544 PWs) bands (ev): -11.8933 -11.8933 -1.6708 -1.6708 -1.6295 -1.6295 -1.1108 -1.1108 -1.0783 -1.0783 -0.9693 -0.9693 0.0718 0.0718 0.1822 0.1822 0.1959 0.1959 1.3711 1.3711 9.5914 9.5914 9.6914 9.6914 9.9801 9.9801 k = 0.0000 0.0000 0.1073 ( 2544 PWs) bands (ev): -11.8909 -11.8909 -1.6696 -1.6696 -1.6296 -1.6296 -1.1134 -1.1134 -1.0793 -1.0793 -0.9732 -0.9732 0.0620 0.0620 0.1601 0.1601 0.1911 0.1911 1.4324 1.4324 9.4678 9.4678 9.7062 9.7062 9.9626 9.9626 k = 0.0000 0.0000 0.1207 ( 2532 PWs) bands (ev): -11.8882 -11.8882 -1.6683 -1.6683 -1.6298 -1.6298 -1.1163 -1.1163 -1.0804 -1.0804 -0.9773 -0.9773 0.0340 0.0340 0.1426 0.1426 0.2010 0.2010 1.4960 1.4960 9.3338 9.3338 9.7228 9.7228 9.9452 9.9452 k = 0.0000 0.0000 0.1342 ( 2532 PWs) bands (ev): -11.8852 -11.8852 -1.6672 -1.6672 -1.6300 -1.6300 -1.1194 -1.1194 -1.0819 -1.0819 -0.9816 -0.9816 -0.0089 -0.0089 0.1407 0.1407 0.2117 0.2117 1.5616 1.5616 9.1915 9.1915 9.7413 9.7413 9.9274 9.9274 k = 0.0000 0.0000 0.1476 ( 2532 PWs) bands (ev): -11.8820 -11.8820 -1.6661 -1.6661 -1.6302 -1.6302 -1.1229 -1.1229 -1.0836 -1.0836 -0.9860 -0.9860 -0.0580 -0.0580 0.1460 0.1460 0.2232 0.2232 1.6289 1.6289 9.0426 9.0426 9.7617 9.7617 9.9087 9.9087 k = 0.0000 0.0000 0.1610 ( 2532 PWs) bands (ev): -11.8786 -11.8786 -1.6653 -1.6653 -1.6305 -1.6305 -1.1267 -1.1267 -1.0857 -1.0857 -0.9903 -0.9903 -0.1089 -0.1089 0.1545 0.1545 0.2354 0.2354 1.6977 1.6977 8.8884 8.8884 9.7840 9.7840 9.8891 9.8891 k = 0.0000 0.0000 0.1744 ( 2540 PWs) bands (ev): -11.8749 -11.8749 -1.6647 -1.6647 -1.6308 -1.6308 -1.1310 -1.1310 -1.0883 -1.0883 -0.9945 -0.9945 -0.1598 -0.1598 0.1648 0.1648 0.2482 0.2482 1.7678 1.7678 8.7300 8.7300 9.8080 9.8080 9.8683 9.8683 k = 0.0000 0.0000 0.1878 ( 2540 PWs) bands (ev): -11.8711 -11.8711 -1.6644 -1.6644 -1.6311 -1.6311 -1.1356 -1.1356 -1.0911 -1.0911 -0.9984 -0.9984 -0.2097 -0.2097 0.1762 0.1762 0.2615 0.2615 1.8393 1.8393 8.5685 8.5685 9.8339 9.8339 9.8464 9.8464 k = 0.0000 0.0000 0.2012 ( 2544 PWs) bands (ev): -11.8671 -11.8671 -1.6645 -1.6645 -1.6315 -1.6315 -1.1408 -1.1408 -1.0945 -1.0945 -1.0020 -1.0020 -0.2582 -0.2582 0.1884 0.1884 0.2753 0.2753 1.9119 1.9119 8.4046 8.4046 9.8235 9.8235 9.8615 9.8615 k = 0.0000 0.0000 0.2147 ( 2544 PWs) bands (ev): -11.8630 -11.8630 -1.6649 -1.6649 -1.6319 -1.6319 -1.1466 -1.1466 -1.0982 -1.0982 -1.0052 -1.0052 -0.3046 -0.3046 0.2011 0.2011 0.2893 0.2893 1.9858 1.9858 8.2390 8.2390 9.7995 9.7995 9.8908 9.8908 k = 0.0000 0.0000 0.2281 ( 2552 PWs) bands (ev): -11.8587 -11.8587 -1.6657 -1.6657 -1.6324 -1.6324 -1.1532 -1.1532 -1.1023 -1.1023 -1.0080 -1.0080 -0.3488 -0.3488 0.2142 0.2142 0.3036 0.3036 2.0610 2.0610 8.0723 8.0723 9.7747 9.7747 9.9217 9.9217 k = 0.0000 0.0000 0.2415 ( 2552 PWs) bands (ev): -11.8544 -11.8544 -1.6670 -1.6670 -1.6329 -1.6329 -1.1605 -1.1605 -1.1067 -1.1067 -1.0105 -1.0105 -0.3902 -0.3902 0.2277 0.2277 0.3181 0.3181 2.1374 2.1374 7.9050 7.9050 9.7490 9.7490 9.9541 9.9541 k = 0.0000 0.0000 0.2549 ( 2552 PWs) bands (ev): -11.8500 -11.8500 -1.6686 -1.6686 -1.6334 -1.6334 -1.1688 -1.1688 -1.1115 -1.1115 -1.0125 -1.0125 -0.4287 -0.4287 0.2413 0.2413 0.3326 0.3326 2.2152 2.2152 7.7376 7.7376 9.7228 9.7228 9.9685 9.9685 k = 0.0000 0.0000 0.2683 ( 2552 PWs) bands (ev): -11.8455 -11.8455 -1.6708 -1.6708 -1.6340 -1.6340 -1.1781 -1.1781 -1.1164 -1.1164 -1.0142 -1.0142 -0.4641 -0.4641 0.2549 0.2549 0.3471 0.3471 2.2943 2.2943 7.5705 7.5705 9.6960 9.6960 9.9393 9.9393 k = 0.0000 0.0000 0.2817 ( 2564 PWs) bands (ev): -11.8411 -11.8411 -1.6734 -1.6734 -1.6346 -1.6346 -1.1886 -1.1886 -1.1216 -1.1216 -1.0156 -1.0156 -0.4961 -0.4961 0.2685 0.2685 0.3615 0.3615 2.3748 2.3748 7.4040 7.4040 9.6689 9.6689 9.9098 9.9098 k = 0.0000 0.0000 0.2952 ( 2564 PWs) bands (ev): -11.8366 -11.8366 -1.6764 -1.6764 -1.6352 -1.6352 -1.2001 -1.2001 -1.1268 -1.1268 -1.0167 -1.0167 -0.5248 -0.5248 0.2820 0.2820 0.3757 0.3757 2.4568 2.4568 7.2386 7.2386 9.6417 9.6417 9.8801 9.8801 k = 0.0000 0.0000 0.3086 ( 2564 PWs) bands (ev): -11.8322 -11.8322 -1.6797 -1.6797 -1.6359 -1.6359 -1.2127 -1.2127 -1.1320 -1.1320 -1.0175 -1.0175 -0.5500 -0.5500 0.2953 0.2953 0.3896 0.3896 2.5402 2.5402 7.0744 7.0744 9.6145 9.6145 9.8504 9.8504 k = 0.0000 0.0000 0.3220 ( 2564 PWs) bands (ev): -11.8279 -11.8279 -1.6835 -1.6835 -1.6366 -1.6366 -1.2262 -1.2262 -1.1371 -1.1371 -1.0182 -1.0182 -0.5719 -0.5719 0.3082 0.3082 0.4032 0.4032 2.6252 2.6252 6.9119 6.9119 9.5875 9.5875 9.8210 9.8210 k = 0.0000 0.0000 0.3354 ( 2556 PWs) bands (ev): -11.8237 -11.8237 -1.6876 -1.6876 -1.6372 -1.6372 -1.2405 -1.2405 -1.1421 -1.1421 -1.0186 -1.0186 -0.5905 -0.5905 0.3209 0.3209 0.4164 0.4164 2.7116 2.7116 6.7512 6.7512 9.5610 9.5610 9.7922 9.7922 k = 0.0000 0.0000 0.3488 ( 2548 PWs) bands (ev): -11.8196 -11.8196 -1.6919 -1.6919 -1.6379 -1.6379 -1.2552 -1.2552 -1.1470 -1.1470 -1.0189 -1.0189 -0.6061 -0.6061 0.3331 0.3331 0.4291 0.4291 2.7995 2.7995 6.5927 6.5927 9.5352 9.5352 9.7640 9.7640 k = 0.0000 0.0000 0.3622 ( 2540 PWs) bands (ev): -11.8156 -11.8156 -1.6965 -1.6965 -1.6386 -1.6386 -1.2703 -1.2703 -1.1516 -1.1516 -1.0191 -1.0191 -0.6191 -0.6191 0.3447 0.3447 0.4413 0.4413 2.8888 2.8888 6.4366 6.4366 9.5101 9.5101 9.7367 9.7367 k = 0.0000 0.0000 0.3757 ( 2552 PWs) bands (ev): -11.8119 -11.8119 -1.7013 -1.7013 -1.6393 -1.6393 -1.2854 -1.2854 -1.1561 -1.1561 -1.0192 -1.0192 -0.6296 -0.6296 0.3558 0.3558 0.4528 0.4528 2.9794 2.9794 6.2833 6.2833 9.4861 9.4861 9.7106 9.7106 k = 0.0000 0.0000 0.3891 ( 2552 PWs) bands (ev): -11.8083 -11.8083 -1.7062 -1.7062 -1.6400 -1.6400 -1.3002 -1.3002 -1.1603 -1.1603 -1.0193 -1.0193 -0.6379 -0.6379 0.3662 0.3662 0.4636 0.4636 3.0712 3.0712 6.1332 6.1332 9.4633 9.4633 9.6858 9.6858 k = 0.0000 0.0000 0.4025 ( 2548 PWs) bands (ev): -11.8050 -11.8050 -1.7111 -1.7111 -1.6406 -1.6406 -1.3145 -1.3145 -1.1641 -1.1641 -1.0193 -1.0193 -0.6445 -0.6445 0.3760 0.3760 0.4738 0.4738 3.1640 3.1640 5.9866 5.9866 9.4418 9.4418 9.6626 9.6626 k = 0.0000 0.0000 0.4159 ( 2548 PWs) bands (ev): -11.8019 -11.8019 -1.7159 -1.7159 -1.6412 -1.6412 -1.3279 -1.3279 -1.1676 -1.1676 -1.0192 -1.0192 -0.6496 -0.6496 0.3850 0.3850 0.4831 0.4831 3.2573 3.2573 5.8440 5.8440 9.4219 9.4219 9.6409 9.6409 k = 0.0000 0.0000 0.4293 ( 2552 PWs) bands (ev): -11.7991 -11.7991 -1.7206 -1.7206 -1.6418 -1.6418 -1.3404 -1.3404 -1.1708 -1.1708 -1.0192 -1.0192 -0.6534 -0.6534 0.3931 0.3931 0.4915 0.4915 3.3508 3.3508 5.7061 5.7061 9.4036 9.4036 9.6212 9.6212 k = 0.0000 0.0000 0.4427 ( 2552 PWs) bands (ev): -11.7965 -11.7965 -1.7250 -1.7250 -1.6424 -1.6424 -1.3518 -1.3518 -1.1737 -1.1737 -1.0191 -1.0191 -0.6562 -0.6562 0.4005 0.4005 0.4991 0.4991 3.4435 3.4435 5.5738 5.5738 9.3872 9.3872 9.6034 9.6034 k = 0.0000 0.0000 0.4562 ( 2564 PWs) bands (ev): -11.7943 -11.7943 -1.7292 -1.7292 -1.6429 -1.6429 -1.3618 -1.3618 -1.1763 -1.1763 -1.0190 -1.0190 -0.6583 -0.6583 0.4069 0.4069 0.5058 0.5058 3.5346 3.5346 5.4483 5.4483 9.3726 9.3726 9.5877 9.5877 k = 0.0000 0.0000 0.4696 ( 2560 PWs) bands (ev): -11.7924 -11.7924 -1.7328 -1.7328 -1.6433 -1.6433 -1.3705 -1.3705 -1.1784 -1.1784 -1.0189 -1.0189 -0.6597 -0.6597 0.4124 0.4124 0.5115 0.5115 3.6223 3.6223 5.3312 5.3312 9.3602 9.3602 9.5742 9.5742 k = 0.0000 0.0000 0.4830 ( 2560 PWs) bands (ev): -11.7908 -11.7908 -1.7359 -1.7359 -1.6436 -1.6436 -1.3776 -1.3776 -1.1801 -1.1801 -1.0188 -1.0188 -0.6606 -0.6606 0.4170 0.4170 0.5162 0.5162 3.7043 3.7043 5.2252 5.2252 9.3499 9.3499 9.5631 9.5631 k = 0.0000 0.0000 0.4964 ( 2552 PWs) bands (ev): -11.7896 -11.7896 -1.7384 -1.7384 -1.6439 -1.6439 -1.3832 -1.3832 -1.1814 -1.1814 -1.0187 -1.0187 -0.6612 -0.6612 0.4206 0.4206 0.5199 0.5199 3.7769 3.7769 5.1336 5.1336 9.3418 9.3418 9.5543 9.5543 k = 0.0000 0.0000 0.5098 ( 2544 PWs) bands (ev): -11.7887 -11.7887 -1.7402 -1.7402 -1.6441 -1.6441 -1.3872 -1.3872 -1.1824 -1.1824 -1.0186 -1.0186 -0.6616 -0.6616 0.4232 0.4232 0.5225 0.5225 3.8356 3.8356 5.0615 5.0615 9.3359 9.3359 9.5480 9.5480 k = 0.0000 0.0000 0.5232 ( 2544 PWs) bands (ev): -11.7881 -11.7881 -1.7414 -1.7414 -1.6442 -1.6442 -1.3896 -1.3896 -1.1830 -1.1830 -1.0185 -1.0185 -0.6618 -0.6618 0.4247 0.4247 0.5241 0.5241 3.8743 3.8743 5.0147 5.0147 9.3324 9.3324 9.5442 9.5442 k = 0.0000 0.0000 0.5367 ( 2560 PWs) bands (ev): -11.7880 -11.7880 -1.7419 -1.7419 -1.6443 -1.6443 -1.3905 -1.3905 -1.1833 -1.1833 -1.0185 -1.0185 -0.6619 -0.6619 0.4252 0.4252 0.5247 0.5247 3.8880 3.8880 4.9983 4.9983 9.3312 9.3312 9.5430 9.5430 k = 0.0000 0.0000 0.5367 ( 2560 PWs) bands (ev): -11.7880 -11.7880 -1.7419 -1.7419 -1.6443 -1.6443 -1.3905 -1.3905 -1.1833 -1.1833 -1.0185 -1.0185 -0.6619 -0.6619 0.4252 0.4252 0.5247 0.5247 3.8880 3.8880 4.9983 4.9983 9.3312 9.3312 9.5430 9.5430 k = 0.0000 0.0132 0.5367 ( 2564 PWs) bands (ev): -11.7879 -11.7879 -1.7415 -1.7415 -1.6442 -1.6442 -1.3900 -1.3900 -1.1831 -1.1831 -1.0186 -1.0186 -0.6619 -0.6619 0.4241 0.4241 0.5235 0.5235 3.8869 3.8869 5.0014 5.0014 9.3293 9.3293 9.5410 9.5410 k = 0.0000 0.0263 0.5367 ( 2568 PWs) bands (ev): -11.7876 -11.7876 -1.7406 -1.7406 -1.6440 -1.6440 -1.3887 -1.3887 -1.1827 -1.1827 -1.0187 -1.0187 -0.6617 -0.6617 0.4208 0.4208 0.5203 0.5203 3.8838 3.8838 5.0107 5.0107 9.3227 9.3227 9.5358 9.5358 k = 0.0000 0.0395 0.5367 ( 2560 PWs) bands (ev): -11.7872 -11.7872 -1.7389 -1.7389 -1.6435 -1.6435 -1.3863 -1.3863 -1.1820 -1.1820 -1.0189 -1.0189 -0.6614 -0.6614 0.4149 0.4149 0.5153 0.5153 3.8786 3.8786 5.0261 5.0261 9.3096 9.3096 9.5300 9.5300 k = 0.0000 0.0526 0.5367 ( 2560 PWs) bands (ev): -11.7866 -11.7866 -1.7367 -1.7367 -1.6429 -1.6429 -1.3831 -1.3831 -1.1810 -1.1810 -1.0191 -1.0191 -0.6610 -0.6610 0.4061 0.4061 0.5091 0.5091 3.8714 3.8714 5.0475 5.0475 9.2876 9.2876 9.5267 9.5267 k = 0.0000 0.0658 0.5367 ( 2564 PWs) bands (ev): -11.7858 -11.7858 -1.7339 -1.7339 -1.6422 -1.6422 -1.3789 -1.3789 -1.1798 -1.1798 -1.0195 -1.0195 -0.6605 -0.6605 0.3939 0.3939 0.5022 0.5022 3.8621 3.8621 5.0747 5.0747 9.2550 9.2550 9.5287 9.5287 k = 0.0000 0.0789 0.5367 ( 2560 PWs) bands (ev): -11.7849 -11.7849 -1.7305 -1.7305 -1.6413 -1.6413 -1.3737 -1.3737 -1.1782 -1.1782 -1.0198 -1.0198 -0.6599 -0.6599 0.3781 0.3781 0.4954 0.4954 3.8509 3.8509 5.1074 5.1074 9.2118 9.2118 9.5370 9.5370 k = 0.0000 0.0921 0.5367 ( 2560 PWs) bands (ev): -11.7839 -11.7839 -1.7267 -1.7267 -1.6403 -1.6403 -1.3676 -1.3676 -1.1764 -1.1764 -1.0203 -1.0203 -0.6591 -0.6591 0.3584 0.3584 0.4888 0.4888 3.8377 3.8377 5.1455 5.1455 9.1594 9.1594 9.5515 9.5515 k = 0.0000 0.1053 0.5367 ( 2564 PWs) bands (ev): -11.7826 -11.7826 -1.7225 -1.7225 -1.6392 -1.6392 -1.3605 -1.3605 -1.1744 -1.1744 -1.0207 -1.0207 -0.6583 -0.6583 0.3350 0.3350 0.4826 0.4826 3.8226 3.8226 5.1887 5.1887 9.0995 9.0995 9.5716 9.5716 k = 0.0000 0.1184 0.5367 ( 2568 PWs) bands (ev): -11.7813 -11.7813 -1.7179 -1.7179 -1.6379 -1.6379 -1.3524 -1.3524 -1.1721 -1.1721 -1.0213 -1.0213 -0.6574 -0.6574 0.3082 0.3082 0.4769 0.4769 3.8056 3.8056 5.2366 5.2366 9.0340 9.0340 9.5967 9.5967 k = 0.0000 0.1316 0.5367 ( 2566 PWs) bands (ev): -11.7798 -11.7798 -1.7129 -1.7129 -1.6365 -1.6365 -1.3433 -1.3433 -1.1695 -1.1695 -1.0218 -1.0218 -0.6564 -0.6564 0.2784 0.2784 0.4716 0.4716 3.7869 3.7869 5.2890 5.2890 8.9644 8.9644 9.6263 9.6263 k = 0.0000 0.1447 0.5367 ( 2562 PWs) bands (ev): -11.7782 -11.7782 -1.7077 -1.7077 -1.6350 -1.6350 -1.3332 -1.3332 -1.1666 -1.1666 -1.0223 -1.0223 -0.6552 -0.6552 0.2460 0.2460 0.4666 0.4666 3.7665 3.7665 5.3455 5.3455 8.8918 8.8918 9.6600 9.6600 k = 0.0000 0.1579 0.5367 ( 2562 PWs) bands (ev): -11.7765 -11.7765 -1.7024 -1.7024 -1.6334 -1.6334 -1.3222 -1.3222 -1.1636 -1.1636 -1.0228 -1.0228 -0.6540 -0.6540 0.2115 0.2115 0.4617 0.4617 3.7445 3.7445 5.4058 5.4058 8.8175 8.8175 9.6975 9.6975 k = 0.0000 0.1711 0.5367 ( 2558 PWs) bands (ev): -11.7747 -11.7747 -1.6968 -1.6968 -1.6317 -1.6317 -1.3103 -1.3103 -1.1603 -1.1603 -1.0232 -1.0232 -0.6527 -0.6527 0.1752 0.1752 0.4569 0.4569 3.7210 3.7210 5.4695 5.4695 8.7423 8.7423 9.7386 9.7386 k = 0.0000 0.1842 0.5367 ( 2554 PWs) bands (ev): -11.7728 -11.7728 -1.6913 -1.6913 -1.6299 -1.6299 -1.2975 -1.2975 -1.1568 -1.1568 -1.0236 -1.0236 -0.6512 -0.6512 0.1375 0.1375 0.4522 0.4522 3.6961 3.6961 5.5364 5.5364 8.6669 8.6669 9.7832 9.7832 k = 0.0000 0.1974 0.5367 ( 2546 PWs) bands (ev): -11.7709 -11.7709 -1.6856 -1.6856 -1.6280 -1.6280 -1.2838 -1.2838 -1.1530 -1.1530 -1.0239 -1.0239 -0.6497 -0.6497 0.0987 0.0987 0.4475 0.4475 3.6700 3.6700 5.6060 5.6060 8.5921 8.5921 9.8312 9.8312 k = 0.0000 0.2105 0.5367 ( 2544 PWs) bands (ev): -11.7688 -11.7688 -1.6801 -1.6801 -1.6260 -1.6260 -1.2695 -1.2695 -1.1491 -1.1491 -1.0241 -1.0241 -0.6482 -0.6482 0.0592 0.0592 0.4428 0.4428 3.6427 3.6427 5.6781 5.6781 8.5183 8.5183 9.8824 9.8824 k = 0.0000 0.2237 0.5367 ( 2536 PWs) bands (ev): -11.7668 -11.7668 -1.6746 -1.6746 -1.6240 -1.6240 -1.2545 -1.2545 -1.1450 -1.1450 -1.0242 -1.0242 -0.6465 -0.6465 0.0192 0.0192 0.4381 0.4381 3.6144 3.6144 5.7523 5.7523 8.4460 8.4460 9.9368 9.9368 k = 0.0000 0.2368 0.5367 ( 2534 PWs) bands (ev): -11.7647 -11.7647 -1.6692 -1.6692 -1.6220 -1.6220 -1.2389 -1.2389 -1.1407 -1.1407 -1.0241 -1.0241 -0.6448 -0.6448 -0.0209 -0.0209 0.4334 0.4334 3.5854 3.5854 5.8283 5.8283 8.3757 8.3757 9.9942 9.9942 k = 0.0000 0.2500 0.5367 ( 2534 PWs) bands (ev): -11.7626 -11.7626 -1.6640 -1.6640 -1.6198 -1.6198 -1.2231 -1.2231 -1.1363 -1.1363 -1.0239 -1.0239 -0.6430 -0.6430 -0.0609 -0.0609 0.4287 0.4287 3.5557 3.5557 5.9057 5.9057 8.3076 8.3076 10.0544 10.0544 k = 0.0000 0.2632 0.5367 ( 2534 PWs) bands (ev): -11.7605 -11.7605 -1.6590 -1.6590 -1.6177 -1.6177 -1.2070 -1.2070 -1.1317 -1.1317 -1.0234 -1.0234 -0.6412 -0.6412 -0.1006 -0.1006 0.4241 0.4241 3.5256 3.5256 5.9842 5.9842 8.2421 8.2421 10.1175 10.1175 k = 0.0000 0.2763 0.5367 ( 2526 PWs) bands (ev): -11.7583 -11.7583 -1.6542 -1.6542 -1.6153 -1.6153 -1.1910 -1.1910 -1.1268 -1.1268 -1.0225 -1.0225 -0.6393 -0.6393 -0.1397 -0.1397 0.4195 0.4195 3.4953 3.4953 6.0635 6.0635 8.1793 8.1793 10.1832 10.1832 k = 0.0000 0.2895 0.5367 ( 2530 PWs) bands (ev): -11.7563 -11.7563 -1.6497 -1.6497 -1.6130 -1.6130 -1.1752 -1.1752 -1.1218 -1.1218 -1.0214 -1.0214 -0.6375 -0.6375 -0.1780 -0.1780 0.4150 0.4150 3.4649 3.4649 6.1431 6.1431 8.1196 8.1196 10.2513 10.2513 k = 0.0000 0.3026 0.5367 ( 2534 PWs) bands (ev): -11.7542 -11.7542 -1.6455 -1.6455 -1.6106 -1.6106 -1.1602 -1.1602 -1.1164 -1.1164 -1.0197 -1.0197 -0.6356 -0.6356 -0.2153 -0.2153 0.4106 0.4106 3.4347 3.4347 6.2226 6.2226 8.0629 8.0629 10.3215 10.3215 k = 0.0000 0.3158 0.5367 ( 2534 PWs) bands (ev): -11.7523 -11.7523 -1.6416 -1.6416 -1.6081 -1.6081 -1.1462 -1.1462 -1.1106 -1.1106 -1.0174 -1.0174 -0.6337 -0.6337 -0.2514 -0.2514 0.4063 0.4063 3.4050 3.4050 6.3017 6.3017 8.0096 8.0096 10.3931 10.3931 k = 0.0000 0.3289 0.5367 ( 2534 PWs) bands (ev): -11.7504 -11.7504 -1.6380 -1.6380 -1.6055 -1.6055 -1.1338 -1.1338 -1.1041 -1.1041 -1.0144 -1.0144 -0.6319 -0.6319 -0.2861 -0.2861 0.4021 0.4021 3.3759 3.3759 6.3799 6.3799 7.9597 7.9597 10.4597 10.4597 k = 0.0000 0.3421 0.5367 ( 2536 PWs) bands (ev): -11.7485 -11.7485 -1.6348 -1.6348 -1.6029 -1.6029 -1.1234 -1.1234 -1.0969 -1.0969 -1.0105 -1.0105 -0.6302 -0.6302 -0.3191 -0.3191 0.3982 0.3982 3.3477 3.3477 6.4567 6.4567 7.9134 7.9134 10.4396 10.4396 k = 0.0000 0.3553 0.5367 ( 2536 PWs) bands (ev): -11.7468 -11.7468 -1.6319 -1.6319 -1.6002 -1.6002 -1.1152 -1.1152 -1.0892 -1.0892 -1.0055 -1.0055 -0.6286 -0.6286 -0.3504 -0.3504 0.3944 0.3944 3.3206 3.3206 6.5314 6.5314 7.8706 7.8706 10.3741 10.3741 k = 0.0000 0.3684 0.5367 ( 2542 PWs) bands (ev): -11.7452 -11.7452 -1.6294 -1.6294 -1.5976 -1.5976 -1.1086 -1.1086 -1.0818 -1.0818 -0.9994 -0.9994 -0.6271 -0.6271 -0.3797 -0.3797 0.3909 0.3909 3.2950 3.2950 6.6036 6.6036 7.8315 7.8315 10.3059 10.3059 k = 0.0000 0.3816 0.5367 ( 2546 PWs) bands (ev): -11.7437 -11.7437 -1.6272 -1.6272 -1.5950 -1.5950 -1.1032 -1.1032 -1.0752 -1.0752 -0.9922 -0.9922 -0.6259 -0.6259 -0.4068 -0.4068 0.3876 0.3876 3.2709 3.2709 6.6726 6.6726 7.7961 7.7961 10.2383 10.2383 k = 0.0000 0.3947 0.5367 ( 2546 PWs) bands (ev): -11.7423 -11.7423 -1.6253 -1.6253 -1.5925 -1.5925 -1.0986 -1.0986 -1.0697 -1.0697 -0.9844 -0.9844 -0.6249 -0.6249 -0.4315 -0.4315 0.3846 0.3846 3.2487 3.2487 6.7375 6.7375 7.7646 7.7646 10.1728 10.1728 k = 0.0000 0.4079 0.5367 ( 2546 PWs) bands (ev): -11.7410 -11.7410 -1.6237 -1.6237 -1.5901 -1.5901 -1.0946 -1.0946 -1.0653 -1.0653 -0.9762 -0.9762 -0.6242 -0.6242 -0.4537 -0.4537 0.3819 0.3819 3.2285 3.2285 6.7977 6.7977 7.7368 7.7368 10.1110 10.1110 k = 0.0000 0.4211 0.5367 ( 2550 PWs) bands (ev): -11.7400 -11.7400 -1.6223 -1.6223 -1.5879 -1.5879 -1.0912 -1.0912 -1.0619 -1.0619 -0.9681 -0.9681 -0.6239 -0.6239 -0.4731 -0.4731 0.3795 0.3795 3.2106 3.2106 6.8523 6.8523 7.7128 7.7128 10.0540 10.0540 k = 0.0000 0.4342 0.5367 ( 2550 PWs) bands (ev): -11.7390 -11.7390 -1.6212 -1.6212 -1.5860 -1.5860 -1.0883 -1.0883 -1.0593 -1.0593 -0.9606 -0.9606 -0.6239 -0.6239 -0.4895 -0.4895 0.3775 0.3775 3.1951 3.1951 6.9003 6.9003 7.6927 7.6927 10.0031 10.0031 k = 0.0000 0.4474 0.5367 ( 2546 PWs) bands (ev): -11.7382 -11.7382 -1.6202 -1.6202 -1.5844 -1.5844 -1.0858 -1.0858 -1.0572 -1.0572 -0.9539 -0.9539 -0.6243 -0.6243 -0.5029 -0.5029 0.3758 0.3758 3.1822 3.1822 6.9411 6.9411 7.6763 7.6763 9.9596 9.9596 k = 0.0000 0.4605 0.5367 ( 2550 PWs) bands (ev): -11.7376 -11.7376 -1.6196 -1.6196 -1.5831 -1.5831 -1.0839 -1.0839 -1.0558 -1.0558 -0.9484 -0.9484 -0.6249 -0.6249 -0.5132 -0.5132 0.3745 0.3745 3.1720 3.1720 6.9737 6.9737 7.6637 7.6637 9.9244 9.9244 k = 0.0000 0.4737 0.5367 ( 2554 PWs) bands (ev): -11.7372 -11.7372 -1.6191 -1.6191 -1.5822 -1.5822 -1.0826 -1.0826 -1.0548 -1.0548 -0.9443 -0.9443 -0.6256 -0.6256 -0.5204 -0.5204 0.3735 0.3735 3.1646 3.1646 6.9976 6.9976 7.6547 7.6547 9.8986 9.8986 k = 0.0000 0.4868 0.5367 ( 2550 PWs) bands (ev): -11.7369 -11.7369 -1.6188 -1.6188 -1.5816 -1.5816 -1.0817 -1.0817 -1.0542 -1.0542 -0.9417 -0.9417 -0.6261 -0.6261 -0.5247 -0.5247 0.3729 0.3729 3.1602 3.1602 7.0121 7.0121 7.6494 7.6494 9.8828 9.8828 k = 0.0000 0.5000 0.5367 ( 2556 PWs) bands (ev): -11.7368 -11.7368 -1.6187 -1.6187 -1.5814 -1.5814 -1.0815 -1.0815 -1.0540 -1.0540 -0.9409 -0.9409 -0.6263 -0.6263 -0.5261 -0.5261 0.3727 0.3727 3.1587 3.1587 7.0170 7.0170 7.6476 7.6476 9.8775 9.8775 k = 0.0000 0.5000 0.5367 ( 2556 PWs) bands (ev): -11.7368 -11.7368 -1.6187 -1.6187 -1.5814 -1.5814 -1.0815 -1.0815 -1.0540 -1.0540 -0.9409 -0.9409 -0.6263 -0.6263 -0.5261 -0.5261 0.3727 0.3727 3.1587 3.1587 7.0170 7.0170 7.6476 7.6476 9.8775 9.8775 k = 0.0132 0.5000 0.5367 ( 2556 PWs) bands (ev): -11.7367 -11.7367 -1.6190 -1.6190 -1.5818 -1.5818 -1.0823 -1.0823 -1.0553 -1.0553 -0.9414 -0.9414 -0.6240 -0.6240 -0.5244 -0.5244 0.3723 0.3723 3.1599 3.1599 7.0147 7.0147 7.6446 7.6446 9.8811 9.8811 k = 0.0263 0.5000 0.5367 ( 2556 PWs) bands (ev): -11.7365 -11.7365 -1.6198 -1.6198 -1.5830 -1.5830 -1.0848 -1.0848 -1.0588 -1.0588 -0.9429 -0.9429 -0.6172 -0.6172 -0.5192 -0.5192 0.3712 0.3712 3.1636 3.1636 7.0080 7.0080 7.6356 7.6356 9.8921 9.8921 k = 0.0395 0.5000 0.5367 ( 2556 PWs) bands (ev): -11.7360 -11.7360 -1.6213 -1.6213 -1.5849 -1.5849 -1.0890 -1.0890 -1.0643 -1.0643 -0.9451 -0.9451 -0.6064 -0.6064 -0.5107 -0.5107 0.3693 0.3693 3.1698 3.1698 6.9969 6.9969 7.6208 7.6208 9.9103 9.9103 k = 0.0526 0.5000 0.5367 ( 2556 PWs) bands (ev): -11.7354 -11.7354 -1.6233 -1.6233 -1.5876 -1.5876 -1.0955 -1.0955 -1.0709 -1.0709 -0.9479 -0.9479 -0.5920 -0.5920 -0.4991 -0.4991 0.3667 0.3667 3.1785 3.1785 6.9814 6.9814 7.6002 7.6002 9.9358 9.9358 k = 0.0658 0.5000 0.5367 ( 2552 PWs) bands (ev): -11.7346 -11.7346 -1.6258 -1.6258 -1.5911 -1.5911 -1.1045 -1.1045 -1.0776 -1.0776 -0.9510 -0.9510 -0.5745 -0.5745 -0.4847 -0.4847 0.3634 0.3634 3.1896 3.1896 6.9618 6.9618 7.5743 7.5743 9.9684 9.9684 k = 0.0789 0.5000 0.5367 ( 2548 PWs) bands (ev): -11.7337 -11.7337 -1.6290 -1.6290 -1.5952 -1.5952 -1.1160 -1.1160 -1.0838 -1.0838 -0.9543 -0.9543 -0.5544 -0.5544 -0.4676 -0.4676 0.3595 0.3595 3.2033 3.2033 6.9382 6.9382 7.5432 7.5432 10.0080 10.0080 k = 0.0921 0.5000 0.5367 ( 2548 PWs) bands (ev): -11.7326 -11.7326 -1.6328 -1.6328 -1.6001 -1.6001 -1.1298 -1.1298 -1.0894 -1.0894 -0.9578 -0.9578 -0.5323 -0.5323 -0.4482 -0.4482 0.3550 0.3550 3.2194 3.2194 6.9108 6.9108 7.5074 7.5074 10.0546 10.0546 k = 0.1053 0.5000 0.5367 ( 2548 PWs) bands (ev): -11.7313 -11.7313 -1.6372 -1.6372 -1.6057 -1.6057 -1.1451 -1.1451 -1.0944 -1.0944 -0.9613 -0.9613 -0.5085 -0.5085 -0.4268 -0.4268 0.3499 0.3499 3.2381 3.2381 6.8799 6.8799 7.4673 7.4673 10.1079 10.1079 k = 0.1184 0.5000 0.5367 ( 2552 PWs) bands (ev): -11.7300 -11.7300 -1.6422 -1.6422 -1.6119 -1.6119 -1.1616 -1.1616 -1.0988 -1.0988 -0.9649 -0.9649 -0.4833 -0.4833 -0.4036 -0.4036 0.3443 0.3443 3.2593 3.2593 6.8457 6.8457 7.4233 7.4233 10.1725 10.1726 k = 0.1316 0.5000 0.5367 ( 2548 PWs) bands (ev): -11.7284 -11.7284 -1.6478 -1.6478 -1.6186 -1.6186 -1.1788 -1.1788 -1.1024 -1.1024 -0.9685 -0.9685 -0.4570 -0.4570 -0.3789 -0.3789 0.3384 0.3384 3.2830 3.2830 6.8085 6.8085 7.3759 7.3759 9.9916 9.9916 k = 0.1447 0.5000 0.5367 ( 2540 PWs) bands (ev): -11.7268 -11.7268 -1.6539 -1.6539 -1.6259 -1.6259 -1.1964 -1.1964 -1.1053 -1.1053 -0.9722 -0.9722 -0.4299 -0.4299 -0.3530 -0.3530 0.3321 0.3321 3.3093 3.3093 6.7687 6.7687 7.3255 7.3255 9.8092 9.8092 k = 0.1579 0.5000 0.5367 ( 2532 PWs) bands (ev): -11.7250 -11.7250 -1.6606 -1.6606 -1.6337 -1.6337 -1.2143 -1.2143 -1.1075 -1.1075 -0.9758 -0.9758 -0.4020 -0.4020 -0.3261 -0.3261 0.3255 0.3255 3.3382 3.3382 6.7264 6.7264 7.2725 7.2725 9.6263 9.6263 k = 0.1711 0.5000 0.5367 ( 2528 PWs) bands (ev): -11.7232 -11.7232 -1.6677 -1.6677 -1.6419 -1.6419 -1.2323 -1.2323 -1.1089 -1.1089 -0.9794 -0.9794 -0.3737 -0.3737 -0.2983 -0.2983 0.3187 0.3187 3.3696 3.3696 6.6822 6.6822 7.2175 7.2175 9.4438 9.4438 k = 0.1842 0.5000 0.5367 ( 2536 PWs) bands (ev): -11.7212 -11.7212 -1.6753 -1.6753 -1.6506 -1.6506 -1.2503 -1.2503 -1.1096 -1.1096 -0.9831 -0.9831 -0.3451 -0.3451 -0.2700 -0.2700 0.3118 0.3118 3.4035 3.4035 6.6362 6.6362 7.1608 7.1608 9.2621 9.2621 k = 0.1974 0.5000 0.5367 ( 2536 PWs) bands (ev): -11.7192 -11.7192 -1.6833 -1.6833 -1.6595 -1.6595 -1.2682 -1.2682 -1.1095 -1.1095 -0.9867 -0.9867 -0.3162 -0.3162 -0.2412 -0.2412 0.3048 0.3048 3.4400 3.4400 6.5888 6.5888 7.1030 7.1030 9.0818 9.0818 k = 0.2105 0.5000 0.5367 ( 2536 PWs) bands (ev): -11.7171 -11.7171 -1.6915 -1.6915 -1.6687 -1.6687 -1.2858 -1.2858 -1.1087 -1.1087 -0.9903 -0.9903 -0.2873 -0.2873 -0.2122 -0.2122 0.2977 0.2977 3.4791 3.4791 6.5404 6.5404 7.0444 7.0444 8.9032 8.9032 k = 0.2237 0.5000 0.5367 ( 2532 PWs) bands (ev): -11.7150 -11.7150 -1.7000 -1.7000 -1.6781 -1.6781 -1.3031 -1.3031 -1.1072 -1.1072 -0.9937 -0.9937 -0.2585 -0.2585 -0.1830 -0.1830 0.2907 0.2907 3.5207 3.5207 6.4913 6.4913 6.9855 6.9855 8.7268 8.7268 k = 0.2368 0.5000 0.5367 ( 2532 PWs) bands (ev): -11.7128 -11.7128 -1.7087 -1.7087 -1.6876 -1.6876 -1.3200 -1.3200 -1.1051 -1.1051 -0.9971 -0.9971 -0.2299 -0.2299 -0.1540 -0.1540 0.2838 0.2838 3.5649 3.5649 6.4418 6.4418 6.9266 6.9266 8.5529 8.5529 k = 0.2500 0.5000 0.5367 ( 2536 PWs) bands (ev): -11.7107 -11.7107 -1.7174 -1.7174 -1.6971 -1.6971 -1.3366 -1.3366 -1.1025 -1.1025 -1.0003 -1.0003 -0.2016 -0.2016 -0.1251 -0.1251 0.2769 0.2769 3.6115 3.6115 6.3923 6.3923 6.8681 6.8681 8.3816 8.3816 k = 0.2632 0.5000 0.5367 ( 2544 PWs) bands (ev): -11.7085 -11.7085 -1.7263 -1.7263 -1.7067 -1.7067 -1.3527 -1.3527 -1.0994 -1.0994 -1.0035 -1.0035 -0.1738 -0.1738 -0.0966 -0.0966 0.2703 0.2703 3.6606 3.6606 6.3430 6.3430 6.8103 6.8103 8.2133 8.2133 k = 0.2763 0.5000 0.5367 ( 2540 PWs) bands (ev): -11.7063 -11.7063 -1.7350 -1.7350 -1.7161 -1.7161 -1.3682 -1.3682 -1.0959 -1.0959 -1.0064 -1.0064 -0.1465 -0.1465 -0.0687 -0.0687 0.2639 0.2639 3.7121 3.7121 6.2943 6.2943 6.7537 6.7537 8.0483 8.0483 k = 0.2895 0.5000 0.5367 ( 2532 PWs) bands (ev): -11.7042 -11.7042 -1.7436 -1.7436 -1.7253 -1.7253 -1.3830 -1.3830 -1.0921 -1.0921 -1.0092 -1.0092 -0.1199 -0.1199 -0.0413 -0.0413 0.2578 0.2578 3.7659 3.7659 6.2465 6.2465 6.6984 6.6984 7.8868 7.8868 k = 0.3026 0.5000 0.5367 ( 2528 PWs) bands (ev): -11.7021 -11.7021 -1.7521 -1.7521 -1.7343 -1.7343 -1.3973 -1.3973 -1.0881 -1.0881 -1.0117 -1.0117 -0.0942 -0.0942 -0.0148 -0.0148 0.2519 0.2519 3.8219 3.8219 6.1999 6.1999 6.6449 6.6449 7.7291 7.7291 k = 0.3158 0.5000 0.5367 ( 2524 PWs) bands (ev): -11.7000 -11.7000 -1.7604 -1.7604 -1.7429 -1.7429 -1.4109 -1.4109 -1.0839 -1.0839 -1.0141 -1.0141 -0.0694 -0.0694 0.0109 0.0109 0.2463 0.2463 3.8799 3.8799 6.1547 6.1547 6.5933 6.5933 7.5755 7.5755 k = 0.3289 0.5000 0.5367 ( 2524 PWs) bands (ev): -11.6981 -11.6981 -1.7685 -1.7685 -1.7512 -1.7512 -1.4238 -1.4238 -1.0798 -1.0798 -1.0164 -1.0164 -0.0456 -0.0456 0.0354 0.0354 0.2410 0.2410 3.9397 3.9397 6.1112 6.1112 6.5439 6.5439 7.4263 7.4263 k = 0.3421 0.5000 0.5367 ( 2528 PWs) bands (ev): -11.6962 -11.6962 -1.7762 -1.7762 -1.7591 -1.7591 -1.4359 -1.4359 -1.0756 -1.0756 -1.0184 -1.0184 -0.0231 -0.0231 0.0588 0.0588 0.2361 0.2361 4.0012 4.0012 6.0696 6.0696 6.4970 6.4970 7.2819 7.2819 k = 0.3553 0.5000 0.5367 ( 2532 PWs) bands (ev): -11.6944 -11.6944 -1.7836 -1.7836 -1.7665 -1.7665 -1.4471 -1.4471 -1.0717 -1.0717 -1.0202 -1.0202 -0.0019 -0.0019 0.0808 0.0808 0.2316 0.2316 4.0639 4.0639 6.0302 6.0302 6.4528 6.4528 7.1429 7.1429 k = 0.3684 0.5000 0.5367 ( 2532 PWs) bands (ev): -11.6927 -11.6927 -1.7906 -1.7906 -1.7733 -1.7733 -1.4576 -1.4576 -1.0678 -1.0678 -1.0217 -1.0217 0.0180 0.0180 0.1015 0.1015 0.2274 0.2274 4.1274 4.1274 5.9932 5.9932 6.4114 6.4114 7.0097 7.0097 k = 0.3816 0.5000 0.5367 ( 2524 PWs) bands (ev): -11.6912 -11.6912 -1.7971 -1.7971 -1.7795 -1.7795 -1.4671 -1.4671 -1.0642 -1.0642 -1.0230 -1.0230 0.0363 0.0363 0.1205 0.1205 0.2236 0.2236 4.1913 4.1913 5.9588 5.9588 6.3730 6.3730 6.8832 6.8832 k = 0.3947 0.5000 0.5367 ( 2520 PWs) bands (ev): -11.6897 -11.6897 -1.8030 -1.8030 -1.7852 -1.7852 -1.4756 -1.4756 -1.0609 -1.0609 -1.0241 -1.0241 0.0530 0.0530 0.1379 0.1379 0.2202 0.2202 4.2548 4.2548 5.9272 5.9272 6.3377 6.3377 6.7642 6.7642 k = 0.4079 0.5000 0.5367 ( 2520 PWs) bands (ev): -11.6884 -11.6884 -1.8085 -1.8085 -1.7902 -1.7902 -1.4833 -1.4833 -1.0579 -1.0579 -1.0250 -1.0250 0.0680 0.0680 0.1534 0.1534 0.2172 0.2172 4.3169 4.3169 5.8984 5.8984 6.3054 6.3054 6.6539 6.6539 k = 0.4211 0.5000 0.5367 ( 2520 PWs) bands (ev): -11.6873 -11.6873 -1.8133 -1.8133 -1.7946 -1.7946 -1.4900 -1.4900 -1.0554 -1.0554 -1.0256 -1.0256 0.0811 0.0811 0.1671 0.1671 0.2147 0.2147 4.3767 4.3767 5.8727 5.8727 6.2760 6.2760 6.5540 6.5540 k = 0.4342 0.5000 0.5367 ( 2520 PWs) bands (ev): -11.6863 -11.6863 -1.8174 -1.8174 -1.7984 -1.7984 -1.4957 -1.4957 -1.0534 -1.0534 -1.0260 -1.0260 0.0924 0.0924 0.1787 0.1787 0.2126 0.2126 4.4325 4.4325 5.8501 5.8501 6.2492 6.2492 6.4663 6.4663 k = 0.4474 0.5000 0.5367 ( 2524 PWs) bands (ev): -11.6855 -11.6855 -1.8209 -1.8209 -1.8015 -1.8015 -1.5003 -1.5003 -1.0518 -1.0518 -1.0263 -1.0263 0.1018 0.1018 0.1882 0.1882 0.2110 0.2110 4.4826 4.4826 5.8309 5.8309 6.2242 6.2242 6.3935 6.3935 k = 0.4605 0.5000 0.5367 ( 2516 PWs) bands (ev): -11.6849 -11.6849 -1.8235 -1.8235 -1.8038 -1.8038 -1.5040 -1.5040 -1.0505 -1.0505 -1.0264 -1.0264 0.1091 0.1091 0.1954 0.1954 0.2101 0.2101 4.5250 4.5250 5.8152 5.8152 6.2006 6.2006 6.3380 6.3380 k = 0.4737 0.5000 0.5367 ( 2516 PWs) bands (ev): -11.6845 -11.6845 -1.8255 -1.8255 -1.8056 -1.8056 -1.5066 -1.5066 -1.0497 -1.0497 -1.0264 -1.0264 0.1144 0.1144 0.1999 0.1999 0.2100 0.2100 4.5575 4.5575 5.8035 5.8035 6.1794 6.1794 6.3010 6.3010 k = 0.4868 0.5000 0.5367 ( 2512 PWs) bands (ev): -11.6842 -11.6842 -1.8266 -1.8266 -1.8066 -1.8066 -1.5081 -1.5081 -1.0492 -1.0492 -1.0264 -1.0264 0.1175 0.1175 0.2021 0.2021 0.2106 0.2106 4.5780 4.5780 5.7962 5.7962 6.1640 6.1640 6.2807 6.2807 k = 0.5000 0.5000 0.5367 ( 2504 PWs) bands (ev): -11.6841 -11.6841 -1.8270 -1.8270 -1.8069 -1.8069 -1.5086 -1.5086 -1.0491 -1.0491 -1.0263 -1.0263 0.1186 0.1186 0.2026 0.2026 0.2109 0.2109 4.5850 4.5850 5.7937 5.7937 6.1584 6.1584 6.2743 6.2743 k = 0.5000 0.5000 0.5367 ( 2504 PWs) bands (ev): -11.6841 -11.6841 -1.8270 -1.8270 -1.8069 -1.8069 -1.5086 -1.5086 -1.0491 -1.0491 -1.0263 -1.0263 0.1186 0.1186 0.2026 0.2026 0.2109 0.2109 4.5850 4.5850 5.7937 5.7937 6.1584 6.1584 6.2743 6.2743 k = 0.4906 0.4906 0.5367 ( 2516 PWs) bands (ev): -11.6842 -11.6842 -1.8266 -1.8266 -1.8066 -1.8066 -1.5081 -1.5081 -1.0493 -1.0493 -1.0264 -1.0264 0.1175 0.1175 0.2021 0.2021 0.2105 0.2105 4.5778 4.5778 5.7963 5.7963 6.1642 6.1642 6.2809 6.2809 k = 0.4811 0.4811 0.5367 ( 2510 PWs) bands (ev): -11.6845 -11.6845 -1.8254 -1.8254 -1.8055 -1.8055 -1.5065 -1.5065 -1.0497 -1.0497 -1.0264 -1.0264 0.1142 0.1142 0.2000 0.2000 0.2099 0.2099 4.5568 4.5568 5.8037 5.8037 6.1796 6.1796 6.3021 6.3021 k = 0.4717 0.4717 0.5367 ( 2512 PWs) bands (ev): -11.6849 -11.6849 -1.8235 -1.8235 -1.8036 -1.8036 -1.5038 -1.5038 -1.0505 -1.0505 -1.0264 -1.0264 0.1088 0.1088 0.1955 0.1955 0.2097 0.2097 4.5238 4.5238 5.8156 5.8156 6.1998 6.1998 6.3415 6.3415 k = 0.4623 0.4623 0.5367 ( 2516 PWs) bands (ev): -11.6856 -11.6856 -1.8210 -1.8210 -1.8010 -1.8010 -1.5001 -1.5001 -1.0517 -1.0517 -1.0265 -1.0265 0.1012 0.1012 0.1886 0.1886 0.2103 0.2103 4.4811 4.4811 5.8314 5.8314 6.2214 6.2214 6.4005 6.4005 k = 0.4528 0.4528 0.5367 ( 2516 PWs) bands (ev): -11.6864 -11.6864 -1.8179 -1.8179 -1.7974 -1.7974 -1.4953 -1.4953 -1.0531 -1.0531 -1.0265 -1.0265 0.0915 0.0915 0.1796 0.1796 0.2115 0.2115 4.4311 4.4311 5.8504 5.8504 6.2436 6.2436 6.4775 6.4775 k = 0.4434 0.4434 0.5367 ( 2520 PWs) bands (ev): -11.6874 -11.6874 -1.8145 -1.8145 -1.7928 -1.7928 -1.4895 -1.4895 -1.0548 -1.0548 -1.0266 -1.0266 0.0797 0.0797 0.1685 0.1685 0.2131 0.2131 4.3763 4.3763 5.8725 5.8725 6.2673 6.2673 6.5694 6.5694 k = 0.4340 0.4340 0.5367 ( 2520 PWs) bands (ev): -11.6886 -11.6886 -1.8108 -1.8108 -1.7873 -1.7873 -1.4827 -1.4827 -1.0568 -1.0568 -1.0266 -1.0266 0.0659 0.0659 0.1558 0.1558 0.2150 0.2150 4.3185 4.3185 5.8972 5.8972 6.2932 6.2932 6.6734 6.6734 k = 0.4245 0.4245 0.5367 ( 2524 PWs) bands (ev): -11.6900 -11.6900 -1.8069 -1.8069 -1.7807 -1.7807 -1.4749 -1.4749 -1.0591 -1.0591 -1.0265 -1.0265 0.0500 0.0500 0.1414 0.1414 0.2174 0.2174 4.2594 4.2594 5.9243 5.9243 6.3218 6.3218 6.7872 6.7872 k = 0.4151 0.4151 0.5367 ( 2532 PWs) bands (ev): -11.6915 -11.6915 -1.8029 -1.8029 -1.7732 -1.7732 -1.4662 -1.4662 -1.0616 -1.0616 -1.0264 -1.0264 0.0323 0.0323 0.1257 0.1257 0.2200 0.2200 4.2002 4.2002 5.9533 5.9533 6.3533 6.3533 6.9090 6.9090 k = 0.4057 0.4057 0.5367 ( 2532 PWs) bands (ev): -11.6932 -11.6932 -1.7987 -1.7987 -1.7648 -1.7648 -1.4567 -1.4567 -1.0643 -1.0643 -1.0262 -1.0262 0.0127 0.0127 0.1089 0.1089 0.2230 0.2230 4.1419 4.1419 5.9840 5.9840 6.3879 6.3879 7.0374 7.0374 k = 0.3962 0.3962 0.5367 ( 2532 PWs) bands (ev): -11.6950 -11.6950 -1.7944 -1.7944 -1.7556 -1.7556 -1.4463 -1.4463 -1.0672 -1.0672 -1.0260 -1.0260 -0.0086 -0.0086 0.0911 0.0911 0.2264 0.2264 4.0853 4.0853 6.0158 6.0158 6.4256 6.4256 7.1713 7.1713 k = 0.3868 0.3868 0.5367 ( 2536 PWs) bands (ev): -11.6970 -11.6970 -1.7900 -1.7900 -1.7459 -1.7459 -1.4352 -1.4352 -1.0703 -1.0703 -1.0256 -1.0256 -0.0316 -0.0316 0.0726 0.0726 0.2301 0.2301 4.0309 4.0309 6.0482 6.0482 6.4664 6.4664 7.3096 7.3096 k = 0.3774 0.3774 0.5367 ( 2532 PWs) bands (ev): -11.6991 -11.6991 -1.7854 -1.7854 -1.7356 -1.7356 -1.4235 -1.4235 -1.0733 -1.0733 -1.0252 -1.0252 -0.0561 -0.0561 0.0536 0.0536 0.2341 0.2341 3.9792 3.9792 6.0806 6.0806 6.5103 6.5103 7.4516 7.4516 k = 0.3679 0.3679 0.5367 ( 2526 PWs) bands (ev): -11.7014 -11.7014 -1.7807 -1.7807 -1.7250 -1.7250 -1.4113 -1.4113 -1.0764 -1.0764 -1.0246 -1.0246 -0.0819 -0.0819 0.0345 0.0345 0.2384 0.2384 3.9305 3.9305 6.1125 6.1125 6.5573 6.5573 7.5965 7.5965 k = 0.3585 0.3585 0.5367 ( 2526 PWs) bands (ev): -11.7038 -11.7038 -1.7758 -1.7758 -1.7141 -1.7141 -1.3988 -1.3988 -1.0794 -1.0794 -1.0238 -1.0238 -0.1090 -0.1090 0.0153 0.0153 0.2431 0.2431 3.8851 3.8851 6.1432 6.1432 6.6073 6.6073 7.7435 7.7435 k = 0.3491 0.3491 0.5367 ( 2530 PWs) bands (ev): -11.7063 -11.7063 -1.7710 -1.7710 -1.7032 -1.7032 -1.3860 -1.3860 -1.0825 -1.0825 -1.0230 -1.0230 -0.1372 -0.1372 -0.0035 -0.0035 0.2481 0.2481 3.8431 3.8431 6.1719 6.1719 6.6604 6.6604 7.8921 7.8921 k = 0.3396 0.3396 0.5367 ( 2534 PWs) bands (ev): -11.7089 -11.7089 -1.7661 -1.7661 -1.6922 -1.6922 -1.3733 -1.3733 -1.0855 -1.0855 -1.0219 -1.0219 -0.1661 -0.1661 -0.0217 -0.0217 0.2534 0.2534 3.8047 3.8047 6.1980 6.1980 6.7164 6.7164 8.0413 8.0413 k = 0.3302 0.3302 0.5367 ( 2538 PWs) bands (ev): -11.7116 -11.7116 -1.7612 -1.7612 -1.6814 -1.6814 -1.3607 -1.3607 -1.0883 -1.0883 -1.0207 -1.0207 -0.1958 -0.1958 -0.0390 -0.0390 0.2591 0.2591 3.7699 3.7699 6.2208 6.2208 6.7754 6.7754 8.1906 8.1906 k = 0.3208 0.3208 0.5367 ( 2542 PWs) bands (ev): -11.7143 -11.7143 -1.7563 -1.7563 -1.6708 -1.6708 -1.3484 -1.3484 -1.0909 -1.0909 -1.0194 -1.0194 -0.2259 -0.2259 -0.0551 -0.0551 0.2650 0.2650 3.7387 3.7387 6.2395 6.2395 6.8373 6.8373 8.3391 8.3391 k = 0.3113 0.3113 0.5367 ( 2542 PWs) bands (ev): -11.7172 -11.7172 -1.7514 -1.7514 -1.6606 -1.6606 -1.3368 -1.3368 -1.0932 -1.0932 -1.0178 -1.0178 -0.2562 -0.2562 -0.0697 -0.0697 0.2713 0.2713 3.7111 3.7111 6.2536 6.2536 6.9021 6.9021 8.4860 8.4860 k = 0.3019 0.3019 0.5367 ( 2538 PWs) bands (ev): -11.7201 -11.7201 -1.7466 -1.7466 -1.6509 -1.6509 -1.3260 -1.3260 -1.0953 -1.0953 -1.0162 -1.0162 -0.2865 -0.2865 -0.0824 -0.0824 0.2778 0.2778 3.6871 3.6871 6.2624 6.2624 6.9697 6.9697 8.6303 8.6303 k = 0.2925 0.2925 0.5367 ( 2542 PWs) bands (ev): -11.7231 -11.7231 -1.7419 -1.7419 -1.6418 -1.6418 -1.3161 -1.3161 -1.0971 -1.0971 -1.0144 -1.0144 -0.3166 -0.3166 -0.0930 -0.0930 0.2846 0.2846 3.6667 3.6667 6.2654 6.2654 7.0402 7.0402 8.7711 8.7711 k = 0.2830 0.2830 0.5367 ( 2542 PWs) bands (ev): -11.7261 -11.7261 -1.7373 -1.7373 -1.6334 -1.6334 -1.3074 -1.3074 -1.0987 -1.0987 -1.0127 -1.0127 -0.3463 -0.3463 -0.1012 -0.1012 0.2917 0.2917 3.6496 3.6496 6.2623 6.2623 7.1133 7.1133 8.9072 8.9072 k = 0.2736 0.2736 0.5367 ( 2538 PWs) bands (ev): -11.7291 -11.7291 -1.7329 -1.7329 -1.6258 -1.6258 -1.2998 -1.2998 -1.1002 -1.1002 -1.0112 -1.0112 -0.3753 -0.3753 -0.1066 -0.1066 0.2991 0.2991 3.6360 3.6360 6.2528 6.2528 7.1890 7.1890 9.0375 9.0375 k = 0.2642 0.2642 0.5367 ( 2534 PWs) bands (ev): -11.7322 -11.7322 -1.7287 -1.7287 -1.6190 -1.6190 -1.2936 -1.2936 -1.1015 -1.1015 -1.0098 -1.0098 -0.4033 -0.4033 -0.1090 -0.1090 0.3067 0.3067 3.6255 3.6255 6.2368 6.2368 7.2673 7.2673 9.1606 9.1606 k = 0.2547 0.2547 0.5367 ( 2536 PWs) bands (ev): -11.7353 -11.7353 -1.7247 -1.7247 -1.6133 -1.6133 -1.2887 -1.2887 -1.1028 -1.1028 -1.0089 -1.0089 -0.4303 -0.4303 -0.1083 -0.1083 0.3145 0.3145 3.6182 3.6182 6.2143 6.2143 7.3480 7.3480 9.2753 9.2753 k = 0.2453 0.2453 0.5367 ( 2536 PWs) bands (ev): -11.7383 -11.7383 -1.7209 -1.7209 -1.6085 -1.6085 -1.2850 -1.2850 -1.1042 -1.1042 -1.0084 -1.0084 -0.4559 -0.4559 -0.1041 -0.1041 0.3225 0.3225 3.6138 3.6138 6.1856 6.1856 7.4309 7.4309 9.3803 9.3803 k = 0.2358 0.2358 0.5367 ( 2532 PWs) bands (ev): -11.7414 -11.7414 -1.7175 -1.7175 -1.6048 -1.6048 -1.2825 -1.2825 -1.1058 -1.1058 -1.0084 -1.0084 -0.4800 -0.4800 -0.0966 -0.0966 0.3307 0.3307 3.6122 3.6122 6.1508 6.1508 7.5161 7.5161 9.4745 9.4745 k = 0.2264 0.2264 0.5367 ( 2532 PWs) bands (ev): -11.7444 -11.7444 -1.7143 -1.7143 -1.6022 -1.6022 -1.2812 -1.2812 -1.1077 -1.1077 -1.0091 -1.0091 -0.5025 -0.5025 -0.0855 -0.0855 0.3390 0.3390 3.6132 3.6132 6.1104 6.1104 7.6033 7.6033 9.5568 9.5568 k = 0.2170 0.2170 0.5367 ( 2532 PWs) bands (ev): -11.7475 -11.7475 -1.7115 -1.7115 -1.6006 -1.6006 -1.2810 -1.2810 -1.1100 -1.1100 -1.0102 -1.0102 -0.5233 -0.5233 -0.0711 -0.0711 0.3475 0.3475 3.6168 3.6168 6.0649 6.0649 7.6924 7.6924 9.6265 9.6265 k = 0.2075 0.2075 0.5367 ( 2536 PWs) bands (ev): -11.7504 -11.7504 -1.7090 -1.7090 -1.6001 -1.6001 -1.2817 -1.2817 -1.1129 -1.1129 -1.0118 -1.0118 -0.5423 -0.5423 -0.0534 -0.0534 0.3561 0.3561 3.6226 3.6226 6.0148 6.0148 7.7832 7.7832 9.6832 9.6832 k = 0.1981 0.1981 0.5367 ( 2532 PWs) bands (ev): -11.7533 -11.7533 -1.7069 -1.7069 -1.6005 -1.6005 -1.2834 -1.2834 -1.1162 -1.1162 -1.0136 -1.0136 -0.5595 -0.5595 -0.0327 -0.0327 0.3647 0.3647 3.6305 3.6305 5.9607 5.9607 7.8755 7.8755 9.7270 9.7270 k = 0.1887 0.1887 0.5367 ( 2528 PWs) bands (ev): -11.7562 -11.7562 -1.7052 -1.7052 -1.6018 -1.6018 -1.2861 -1.2861 -1.1202 -1.1202 -1.0154 -1.0154 -0.5750 -0.5750 -0.0093 -0.0093 0.3734 0.3734 3.6403 3.6403 5.9033 5.9033 7.9691 7.9691 9.7583 9.7583 k = 0.1792 0.1792 0.5367 ( 2536 PWs) bands (ev): -11.7590 -11.7590 -1.7040 -1.7040 -1.6039 -1.6039 -1.2896 -1.2896 -1.1247 -1.1247 -1.0172 -1.0172 -0.5887 -0.5887 0.0165 0.0165 0.3822 0.3822 3.6519 3.6519 5.8433 5.8433 8.0638 8.0638 9.7779 9.7779 k = 0.1698 0.1698 0.5367 ( 2534 PWs) bands (ev): -11.7617 -11.7617 -1.7033 -1.7033 -1.6066 -1.6066 -1.2940 -1.2940 -1.1296 -1.1296 -1.0187 -1.0187 -0.6008 -0.6008 0.0444 0.0444 0.3909 0.3909 3.6649 3.6649 5.7812 5.7812 8.1593 8.1593 9.7869 9.7869 k = 0.1604 0.1604 0.5367 ( 2542 PWs) bands (ev): -11.7643 -11.7643 -1.7031 -1.7031 -1.6098 -1.6098 -1.2991 -1.2991 -1.1348 -1.1348 -1.0200 -1.0200 -0.6113 -0.6113 0.0739 0.0739 0.3995 0.3995 3.6792 3.6792 5.7179 5.7179 8.2553 8.2553 9.7864 9.7864 k = 0.1509 0.1509 0.5367 ( 2546 PWs) bands (ev): -11.7668 -11.7668 -1.7034 -1.7034 -1.6133 -1.6133 -1.3049 -1.3049 -1.1401 -1.1401 -1.0210 -1.0210 -0.6204 -0.6204 0.1046 0.1046 0.4082 0.4082 3.6945 3.6945 5.6539 5.6539 8.3515 8.3515 9.7780 9.7780 k = 0.1415 0.1415 0.5367 ( 2546 PWs) bands (ev): -11.7692 -11.7692 -1.7042 -1.7042 -1.6170 -1.6170 -1.3114 -1.3114 -1.1454 -1.1454 -1.0217 -1.0217 -0.6282 -0.6282 0.1361 0.1361 0.4167 0.4167 3.7106 3.7106 5.5899 5.5899 8.4475 8.4475 9.7630 9.7630 k = 0.1321 0.1321 0.5367 ( 2550 PWs) bands (ev): -11.7715 -11.7715 -1.7056 -1.7056 -1.6208 -1.6208 -1.3183 -1.3183 -1.1505 -1.1505 -1.0220 -1.0220 -0.6349 -0.6349 0.1679 0.1679 0.4251 0.4251 3.7273 3.7273 5.5265 5.5265 8.5428 8.5428 9.7428 9.7428 k = 0.1226 0.1226 0.5367 ( 2558 PWs) bands (ev): -11.7737 -11.7737 -1.7076 -1.7076 -1.6244 -1.6244 -1.3257 -1.3257 -1.1553 -1.1553 -1.0222 -1.0222 -0.6404 -0.6404 0.1997 0.1997 0.4335 0.4335 3.7443 3.7443 5.4643 5.4643 8.6369 8.6369 9.7188 9.7188 k = 0.1132 0.1132 0.5367 ( 2558 PWs) bands (ev): -11.7757 -11.7757 -1.7101 -1.7101 -1.6278 -1.6278 -1.3332 -1.3332 -1.1598 -1.1598 -1.0221 -1.0221 -0.6451 -0.6451 0.2309 0.2309 0.4418 0.4418 3.7613 3.7613 5.4039 5.4039 8.7293 8.7293 9.6923 9.6923 k = 0.1038 0.1038 0.5367 ( 2560 PWs) bands (ev): -11.7776 -11.7776 -1.7131 -1.7131 -1.6309 -1.6309 -1.3407 -1.3407 -1.1638 -1.1638 -1.0219 -1.0219 -0.6489 -0.6489 0.2610 0.2610 0.4500 0.4500 3.7782 3.7782 5.3459 5.3459 8.8191 8.8191 9.6644 9.6644 k = 0.0943 0.0943 0.5367 ( 2564 PWs) bands (ev): -11.7793 -11.7793 -1.7164 -1.7164 -1.6336 -1.6336 -1.3482 -1.3482 -1.1674 -1.1674 -1.0216 -1.0216 -0.6520 -0.6520 0.2896 0.2896 0.4582 0.4582 3.7946 3.7946 5.2908 5.2908 8.9056 8.9056 9.6364 9.6364 k = 0.0849 0.0849 0.5367 ( 2564 PWs) bands (ev): -11.7809 -11.7809 -1.7200 -1.7200 -1.6359 -1.6359 -1.3554 -1.3554 -1.1707 -1.1707 -1.0212 -1.0212 -0.6545 -0.6545 0.3163 0.3163 0.4665 0.4665 3.8104 3.8104 5.2392 5.2392 8.9878 8.9878 9.6093 9.6093 k = 0.0755 0.0755 0.5367 ( 2566 PWs) bands (ev): -11.7824 -11.7824 -1.7237 -1.7237 -1.6379 -1.6379 -1.3622 -1.3622 -1.1734 -1.1734 -1.0208 -1.0208 -0.6565 -0.6565 0.3404 0.3404 0.4749 0.4749 3.8252 3.8252 5.1915 5.1915 9.0643 9.0643 9.5842 9.5842 k = 0.0660 0.0660 0.5367 ( 2558 PWs) bands (ev): -11.7837 -11.7837 -1.7273 -1.7273 -1.6396 -1.6396 -1.3684 -1.3684 -1.1758 -1.1758 -1.0203 -1.0203 -0.6581 -0.6581 0.3617 0.3617 0.4834 0.4834 3.8389 3.8389 5.1482 5.1482 9.1339 9.1339 9.5625 9.5625 k = 0.0566 0.0566 0.5367 ( 2554 PWs) bands (ev): -11.7848 -11.7848 -1.7307 -1.7307 -1.6409 -1.6409 -1.3740 -1.3740 -1.1778 -1.1778 -1.0198 -1.0198 -0.6592 -0.6592 0.3799 0.3799 0.4919 0.4919 3.8513 3.8513 5.1097 5.1097 9.1946 9.1946 9.5452 9.5452 k = 0.0472 0.0472 0.5367 ( 2550 PWs) bands (ev): -11.7858 -11.7858 -1.7339 -1.7339 -1.6420 -1.6420 -1.3789 -1.3789 -1.1795 -1.1795 -1.0195 -1.0195 -0.6601 -0.6601 0.3947 0.3947 0.5003 0.5003 3.8621 3.8621 5.0764 5.0764 9.2446 9.2446 9.5338 9.5338 k = 0.0377 0.0377 0.5367 ( 2558 PWs) bands (ev): -11.7866 -11.7866 -1.7366 -1.7366 -1.6428 -1.6428 -1.3830 -1.3830 -1.1809 -1.1809 -1.0191 -1.0191 -0.6609 -0.6609 0.4063 0.4063 0.5081 0.5081 3.8712 3.8712 5.0487 5.0487 9.2824 9.2824 9.5292 9.5292 k = 0.0283 0.0283 0.5367 ( 2562 PWs) bands (ev): -11.7872 -11.7872 -1.7389 -1.7389 -1.6435 -1.6435 -1.3862 -1.3862 -1.1819 -1.1819 -1.0189 -1.0189 -0.6613 -0.6613 0.4148 0.4148 0.5149 0.5149 3.8785 3.8785 5.0268 5.0268 9.3076 9.3076 9.5307 9.5307 k = 0.0189 0.0189 0.5367 ( 2566 PWs) bands (ev): -11.7876 -11.7876 -1.7405 -1.7405 -1.6439 -1.6439 -1.3886 -1.3886 -1.1827 -1.1827 -1.0187 -1.0187 -0.6617 -0.6617 0.4207 0.4207 0.5202 0.5202 3.8837 3.8837 5.0110 5.0110 9.3221 9.3221 9.5359 9.5359 k = 0.0094 0.0094 0.5367 ( 2560 PWs) bands (ev): -11.7879 -11.7879 -1.7415 -1.7415 -1.6442 -1.6442 -1.3900 -1.3900 -1.1831 -1.1831 -1.0186 -1.0186 -0.6619 -0.6619 0.4241 0.4241 0.5235 0.5235 3.8869 3.8869 5.0015 5.0015 9.3292 9.3292 9.5409 9.5409 k = 0.0000 0.0000 0.5367 ( 2560 PWs) bands (ev): -11.7880 -11.7880 -1.7419 -1.7419 -1.6443 -1.6443 -1.3905 -1.3905 -1.1833 -1.1833 -1.0185 -1.0185 -0.6619 -0.6619 0.4252 0.4252 0.5247 0.5247 3.8880 3.8880 4.9983 4.9983 9.3312 9.3312 9.5430 9.5430 k = 0.0000 0.5000-0.0000 ( 2534 PWs) bands (ev): -11.8331 -11.8331 -1.7498 -1.7498 -1.6690 -1.6690 -1.3919 -1.3919 -1.1645 -1.1645 -1.0224 -1.0224 -0.7684 -0.7684 0.4405 0.4405 0.6549 0.6549 3.6257 3.6257 5.2109 5.2109 9.0893 9.0893 10.2433 10.2433 k = 0.0000 0.5000 0.0134 ( 2538 PWs) bands (ev): -11.8330 -11.8330 -1.7493 -1.7493 -1.6689 -1.6689 -1.3915 -1.3915 -1.1645 -1.1645 -1.0225 -1.0225 -0.7682 -0.7682 0.4402 0.4402 0.6526 0.6526 3.6251 3.6251 5.2141 5.2141 9.0911 9.0911 10.2330 10.2330 k = 0.0000 0.5000 0.0268 ( 2534 PWs) bands (ev): -11.8325 -11.8325 -1.7479 -1.7479 -1.6685 -1.6685 -1.3902 -1.3902 -1.1641 -1.1641 -1.0228 -1.0228 -0.7678 -0.7678 0.4395 0.4395 0.6457 0.6457 3.6236 3.6236 5.2237 5.2237 9.0964 9.0964 10.2026 10.2026 k = 0.0000 0.5000 0.0402 ( 2524 PWs) bands (ev): -11.8318 -11.8318 -1.7456 -1.7456 -1.6678 -1.6678 -1.3881 -1.3881 -1.1635 -1.1635 -1.0232 -1.0232 -0.7671 -0.7671 0.4383 0.4383 0.6345 0.6345 3.6210 3.6210 5.2397 5.2397 9.1053 9.1053 10.1535 10.1535 k = 0.0000 0.5000 0.0537 ( 2524 PWs) bands (ev): -11.8308 -11.8308 -1.7424 -1.7424 -1.6670 -1.6670 -1.3851 -1.3851 -1.1627 -1.1627 -1.0239 -1.0239 -0.7661 -0.7661 0.4364 0.4364 0.6190 0.6190 3.6173 3.6173 5.2619 5.2619 9.1176 9.1176 10.0878 10.0878 k = 0.0000 0.5000 0.0671 ( 2524 PWs) bands (ev): -11.8295 -11.8295 -1.7384 -1.7384 -1.6659 -1.6659 -1.3813 -1.3813 -1.1617 -1.1617 -1.0247 -1.0247 -0.7648 -0.7648 0.4338 0.4338 0.5998 0.5998 3.6126 3.6126 5.2900 5.2900 9.1332 9.1332 10.0078 10.0078 k = 0.0000 0.5000 0.0805 ( 2524 PWs) bands (ev): -11.8280 -11.8280 -1.7337 -1.7337 -1.6646 -1.6646 -1.3765 -1.3765 -1.1605 -1.1605 -1.0257 -1.0257 -0.7632 -0.7632 0.4302 0.4302 0.5773 0.5773 3.6069 3.6069 5.3240 5.3240 9.1520 9.1520 9.9164 9.9164 k = 0.0000 0.5000 0.0939 ( 2524 PWs) bands (ev): -11.8262 -11.8262 -1.7283 -1.7283 -1.6630 -1.6630 -1.3707 -1.3707 -1.1590 -1.1590 -1.0268 -1.0268 -0.7614 -0.7614 0.4249 0.4249 0.5523 0.5523 3.6002 3.6002 5.3635 5.3635 9.1736 9.1736 9.8160 9.8160 k = 0.0000 0.5000 0.1073 ( 2528 PWs) bands (ev): -11.8241 -11.8241 -1.7224 -1.7224 -1.6613 -1.6613 -1.3640 -1.3640 -1.1572 -1.1572 -1.0280 -1.0280 -0.7592 -0.7592 0.4169 0.4169 0.5263 0.5263 3.5925 3.5925 5.4082 5.4082 9.1970 9.1970 9.7097 9.7097 k = 0.0000 0.5000 0.1207 ( 2534 PWs) bands (ev): -11.8218 -11.8218 -1.7160 -1.7160 -1.6594 -1.6594 -1.3563 -1.3563 -1.1553 -1.1553 -1.0294 -1.0294 -0.7567 -0.7567 0.4043 0.4043 0.5016 0.5016 3.5838 3.5838 5.4578 5.4578 9.2204 9.2204 9.6014 9.6014 k = 0.0000 0.5000 0.1342 ( 2534 PWs) bands (ev): -11.8193 -11.8193 -1.7093 -1.7093 -1.6573 -1.6573 -1.3475 -1.3475 -1.1530 -1.1530 -1.0309 -1.0309 -0.7538 -0.7538 0.3846 0.3846 0.4810 0.4810 3.5741 3.5741 5.5121 5.5121 9.2371 9.2371 9.4990 9.4990 k = 0.0000 0.5000 0.1476 ( 2534 PWs) bands (ev): -11.8166 -11.8166 -1.7024 -1.7024 -1.6550 -1.6550 -1.3377 -1.3377 -1.1504 -1.1504 -1.0325 -1.0325 -0.7506 -0.7506 0.3566 0.3566 0.4661 0.4661 3.5634 3.5634 5.5707 5.5707 9.2252 9.2252 9.4260 9.4260 k = 0.0000 0.5000 0.1610 ( 2518 PWs) bands (ev): -11.8136 -11.8136 -1.6954 -1.6954 -1.6525 -1.6525 -1.3268 -1.3268 -1.1476 -1.1476 -1.0340 -1.0340 -0.7469 -0.7469 0.3216 0.3216 0.4559 0.4559 3.5519 3.5519 5.6333 5.6333 9.1553 9.1553 9.4128 9.4128 k = 0.0000 0.5000 0.1744 ( 2510 PWs) bands (ev): -11.8105 -11.8105 -1.6884 -1.6884 -1.6498 -1.6498 -1.3149 -1.3149 -1.1445 -1.1445 -1.0356 -1.0356 -0.7429 -0.7429 0.2818 0.2818 0.4485 0.4485 3.5394 3.5394 5.6995 5.6995 9.0495 9.0495 9.4382 9.4382 k = 0.0000 0.5000 0.1878 ( 2522 PWs) bands (ev): -11.8073 -11.8073 -1.6817 -1.6817 -1.6471 -1.6471 -1.3020 -1.3020 -1.1412 -1.1412 -1.0373 -1.0373 -0.7385 -0.7385 0.2389 0.2389 0.4428 0.4428 3.5261 3.5261 5.7692 5.7692 8.9325 8.9325 9.4783 9.4783 k = 0.0000 0.5000 0.2012 ( 2526 PWs) bands (ev): -11.8039 -11.8039 -1.6751 -1.6751 -1.6442 -1.6442 -1.2881 -1.2881 -1.1376 -1.1376 -1.0389 -1.0389 -0.7337 -0.7337 0.1939 0.1939 0.4379 0.4379 3.5120 3.5120 5.8419 5.8419 8.8123 8.8123 9.5259 9.5259 k = 0.0000 0.5000 0.2147 ( 2530 PWs) bands (ev): -11.8004 -11.8004 -1.6690 -1.6690 -1.6411 -1.6411 -1.2734 -1.2734 -1.1337 -1.1337 -1.0404 -1.0404 -0.7284 -0.7284 0.1475 0.1475 0.4335 0.4335 3.4970 3.4970 5.9174 5.9174 8.6917 8.6917 9.5785 9.5785 k = 0.0000 0.5000 0.2281 ( 2534 PWs) bands (ev): -11.7968 -11.7968 -1.6632 -1.6632 -1.6378 -1.6378 -1.2579 -1.2579 -1.1295 -1.1295 -1.0418 -1.0418 -0.7227 -0.7227 0.1004 0.1004 0.4294 0.4294 3.4814 3.4814 5.9954 5.9954 8.5722 8.5722 9.6354 9.6354 k = 0.0000 0.5000 0.2415 ( 2534 PWs) bands (ev): -11.7931 -11.7931 -1.6579 -1.6579 -1.6344 -1.6344 -1.2419 -1.2419 -1.1252 -1.1252 -1.0430 -1.0430 -0.7164 -0.7164 0.0528 0.0528 0.4254 0.4254 3.4650 3.4650 6.0756 6.0756 8.4546 8.4546 9.6959 9.6959 k = 0.0000 0.5000 0.2549 ( 2528 PWs) bands (ev): -11.7893 -11.7893 -1.6531 -1.6531 -1.6309 -1.6309 -1.2254 -1.2254 -1.1205 -1.1205 -1.0440 -1.0440 -0.7096 -0.7096 0.0052 0.0052 0.4216 0.4216 3.4481 3.4481 6.1579 6.1579 8.3397 8.3397 9.7598 9.7598 k = 0.0000 0.5000 0.2683 ( 2532 PWs) bands (ev): -11.7856 -11.7856 -1.6488 -1.6488 -1.6273 -1.6273 -1.2088 -1.2088 -1.1157 -1.1157 -1.0446 -1.0446 -0.7023 -0.7023 -0.0422 -0.0422 0.4179 0.4179 3.4306 3.4306 6.2418 6.2418 8.2278 8.2278 9.8269 9.8269 k = 0.0000 0.5000 0.2817 ( 2532 PWs) bands (ev): -11.7818 -11.7818 -1.6450 -1.6450 -1.6236 -1.6236 -1.1924 -1.1924 -1.1107 -1.1107 -1.0447 -1.0447 -0.6945 -0.6945 -0.0890 -0.0890 0.4143 0.4143 3.4127 3.4127 6.3272 6.3272 8.1194 8.1194 9.8971 9.8971 k = 0.0000 0.5000 0.2952 ( 2536 PWs) bands (ev): -11.7780 -11.7780 -1.6416 -1.6416 -1.6200 -1.6200 -1.1763 -1.1763 -1.1056 -1.1056 -1.0442 -1.0442 -0.6861 -0.6861 -0.1351 -0.1351 0.4107 0.4107 3.3944 3.3944 6.4138 6.4138 8.0150 8.0150 9.9701 9.9701 k = 0.0000 0.5000 0.3086 ( 2546 PWs) bands (ev): -11.7743 -11.7743 -1.6386 -1.6386 -1.6164 -1.6164 -1.1611 -1.1611 -1.1005 -1.1005 -1.0429 -1.0429 -0.6772 -0.6772 -0.1801 -0.1801 0.4072 0.4072 3.3758 3.3758 6.5012 6.5012 7.9148 7.9148 10.0459 10.0459 k = 0.0000 0.5000 0.3220 ( 2546 PWs) bands (ev): -11.7706 -11.7706 -1.6359 -1.6359 -1.6129 -1.6129 -1.1470 -1.1470 -1.0954 -1.0954 -1.0403 -1.0403 -0.6677 -0.6677 -0.2238 -0.2238 0.4038 0.4038 3.3571 3.3571 6.5892 6.5892 7.8191 7.8191 10.1241 10.1241 k = 0.0000 0.5000 0.3354 ( 2542 PWs) bands (ev): -11.7671 -11.7671 -1.6334 -1.6334 -1.6095 -1.6095 -1.1344 -1.1344 -1.0906 -1.0906 -1.0362 -1.0362 -0.6578 -0.6578 -0.2660 -0.2660 0.4005 0.4005 3.3384 3.3384 6.6773 6.6773 7.7284 7.7284 10.2046 10.2046 k = 0.0000 0.5000 0.3488 ( 2538 PWs) bands (ev): -11.7636 -11.7636 -1.6313 -1.6313 -1.6062 -1.6062 -1.1234 -1.1234 -1.0864 -1.0864 -1.0305 -1.0305 -0.6475 -0.6475 -0.3066 -0.3066 0.3973 0.3973 3.3198 3.3198 6.7652 6.7652 7.6428 7.6428 10.2871 10.2871 k = 0.0000 0.5000 0.3622 ( 2536 PWs) bands (ev): -11.7602 -11.7602 -1.6293 -1.6293 -1.6031 -1.6031 -1.1140 -1.1140 -1.0827 -1.0827 -1.0232 -1.0232 -0.6369 -0.6369 -0.3453 -0.3453 0.3942 0.3942 3.3014 3.3014 6.8522 6.8522 7.5629 7.5629 10.3709 10.3709 k = 0.0000 0.5000 0.3757 ( 2536 PWs) bands (ev): -11.7571 -11.7571 -1.6276 -1.6276 -1.6001 -1.6001 -1.1063 -1.1063 -1.0796 -1.0796 -1.0147 -1.0147 -0.6262 -0.6262 -0.3820 -0.3820 0.3913 0.3913 3.2835 3.2835 6.9375 6.9375 7.4892 7.4892 10.4538 10.4538 k = 0.0000 0.5000 0.3891 ( 2540 PWs) bands (ev): -11.7540 -11.7540 -1.6260 -1.6260 -1.5973 -1.5973 -1.1001 -1.1001 -1.0767 -1.0767 -1.0055 -1.0055 -0.6155 -0.6155 -0.4163 -0.4163 0.3886 0.3886 3.2661 3.2661 7.0197 7.0197 7.4227 7.4227 10.4958 10.4958 k = 0.0000 0.5000 0.4025 ( 2540 PWs) bands (ev): -11.7512 -11.7512 -1.6246 -1.6246 -1.5948 -1.5948 -1.0952 -1.0952 -1.0740 -1.0740 -0.9960 -0.9960 -0.6051 -0.6051 -0.4481 -0.4481 0.3860 0.3860 3.2495 3.2495 7.0956 7.0956 7.3663 7.3663 10.4250 10.4250 k = 0.0000 0.5000 0.4159 ( 2538 PWs) bands (ev): -11.7486 -11.7486 -1.6234 -1.6234 -1.5923 -1.5923 -1.0913 -1.0913 -1.0712 -1.0712 -0.9866 -0.9866 -0.5955 -0.5955 -0.4769 -0.4769 0.3836 0.3836 3.2338 3.2338 7.1554 7.1554 7.3290 7.3290 10.3426 10.3426 k = 0.0000 0.5000 0.4293 ( 2538 PWs) bands (ev): -11.7462 -11.7462 -1.6224 -1.6224 -1.5901 -1.5901 -1.0885 -1.0885 -1.0683 -1.0683 -0.9777 -0.9777 -0.5873 -0.5873 -0.5021 -0.5021 0.3814 0.3814 3.2192 3.2192 7.1744 7.1744 7.3351 7.3351 10.2611 10.2611 k = 0.0000 0.5000 0.4427 ( 2542 PWs) bands (ev): -11.7441 -11.7441 -1.6215 -1.6215 -1.5882 -1.5882 -1.0864 -1.0864 -1.0655 -1.0655 -0.9696 -0.9696 -0.5822 -0.5822 -0.5221 -0.5221 0.3794 0.3794 3.2058 3.2058 7.1534 7.1534 7.3826 7.3826 10.1831 10.1831 k = 0.0000 0.5000 0.4562 ( 2546 PWs) bands (ev): -11.7422 -11.7422 -1.6207 -1.6207 -1.5864 -1.5864 -1.0849 -1.0849 -1.0627 -1.0627 -0.9623 -0.9623 -0.5831 -0.5831 -0.5340 -0.5340 0.3777 0.3777 3.1938 3.1938 7.1219 7.1219 7.4412 7.4412 10.1103 10.1103 k = 0.0000 0.5000 0.4696 ( 2550 PWs) bands (ev): -11.7406 -11.7406 -1.6201 -1.6201 -1.5849 -1.5849 -1.0837 -1.0837 -1.0603 -1.0603 -0.9559 -0.9559 -0.5910 -0.5910 -0.5369 -0.5369 0.3762 0.3762 3.1834 3.1834 7.0915 7.0915 7.4980 7.4980 10.0445 10.0445 k = 0.0000 0.5000 0.4830 ( 2550 PWs) bands (ev): -11.7392 -11.7392 -1.6196 -1.6196 -1.5837 -1.5837 -1.0829 -1.0829 -1.0581 -1.0581 -0.9506 -0.9506 -0.6018 -0.6018 -0.5349 -0.5349 0.3749 0.3749 3.1747 3.1747 7.0653 7.0653 7.5486 7.5486 9.9874 9.9874 k = 0.0000 0.5000 0.4964 ( 2560 PWs) bands (ev): -11.7382 -11.7382 -1.6192 -1.6192 -1.5827 -1.5827 -1.0823 -1.0823 -1.0564 -1.0564 -0.9465 -0.9465 -0.6120 -0.6120 -0.5316 -0.5316 0.3740 0.3740 3.1677 3.1677 7.0444 7.0444 7.5904 7.5904 9.9408 9.9408 k = 0.0000 0.5000 0.5098 ( 2560 PWs) bands (ev): -11.7374 -11.7374 -1.6189 -1.6189 -1.5820 -1.5820 -1.0818 -1.0818 -1.0551 -1.0551 -0.9434 -0.9434 -0.6198 -0.6198 -0.5287 -0.5287 0.3733 0.3733 3.1627 3.1627 7.0292 7.0292 7.6217 7.6217 9.9061 9.9061 k = 0.0000 0.5000 0.5232 ( 2560 PWs) bands (ev): -11.7370 -11.7370 -1.6188 -1.6188 -1.5816 -1.5816 -1.0816 -1.0816 -1.0543 -1.0543 -0.9416 -0.9416 -0.6246 -0.6246 -0.5268 -0.5268 0.3729 0.3729 3.1597 3.1597 7.0200 7.0200 7.6411 7.6411 9.8847 9.8847 k = 0.0000 0.5000 0.5367 ( 2556 PWs) bands (ev): -11.7368 -11.7368 -1.6187 -1.6187 -1.5814 -1.5814 -1.0815 -1.0815 -1.0540 -1.0540 -0.9409 -0.9409 -0.6263 -0.6263 -0.5261 -0.5261 0.3727 0.3727 3.1587 3.1587 7.0170 7.0170 7.6476 7.6476 9.8775 9.8775 k = 0.5000 0.5000-0.0000 ( 2560 PWs) bands (ev): -11.7804 -11.7804 -1.6562 -1.6562 -1.5555 -1.5555 -1.1111 -1.1111 -1.0239 -1.0239 -0.9456 -0.9456 -0.6503 -0.6503 -0.5960 -0.5960 0.5835 0.5835 2.6922 2.6922 7.3584 7.3584 7.5027 7.5027 10.1453 10.1453 k = 0.5000 0.5000 0.0134 ( 2544 PWs) bands (ev): -11.7803 -11.7803 -1.6562 -1.6562 -1.5558 -1.5558 -1.1117 -1.1117 -1.0255 -1.0255 -0.9462 -0.9462 -0.6476 -0.6476 -0.5941 -0.5941 0.5825 0.5825 2.6934 2.6934 7.3565 7.3565 7.5008 7.5008 10.1495 10.1495 k = 0.5000 0.5000 0.0268 ( 2544 PWs) bands (ev): -11.7798 -11.7798 -1.6563 -1.6563 -1.5569 -1.5569 -1.1139 -1.1139 -1.0302 -1.0302 -0.9480 -0.9480 -0.6399 -0.6399 -0.5887 -0.5887 0.5795 0.5795 2.6973 2.6973 7.3507 7.3507 7.4951 7.4951 10.1620 10.1620 k = 0.5000 0.5000 0.0402 ( 2544 PWs) bands (ev): -11.7791 -11.7791 -1.6567 -1.6567 -1.5586 -1.5586 -1.1173 -1.1173 -1.0380 -1.0380 -0.9506 -0.9506 -0.6275 -0.6275 -0.5799 -0.5799 0.5745 0.5745 2.7038 2.7038 7.3411 7.3411 7.4857 7.4857 10.1828 10.1828 k = 0.5000 0.5000 0.0537 ( 2540 PWs) bands (ev): -11.7781 -11.7781 -1.6571 -1.6571 -1.5611 -1.5611 -1.1216 -1.1216 -1.0485 -1.0485 -0.9536 -0.9536 -0.6112 -0.6112 -0.5678 -0.5678 0.5677 0.5677 2.7129 2.7129 7.3278 7.3278 7.4726 7.4726 10.2118 10.2118 k = 0.5000 0.5000 0.0671 ( 2540 PWs) bands (ev): -11.7768 -11.7768 -1.6578 -1.6578 -1.5642 -1.5642 -1.1268 -1.1268 -1.0614 -1.0614 -0.9567 -0.9567 -0.5917 -0.5917 -0.5529 -0.5529 0.5591 0.5591 2.7246 2.7246 7.3108 7.3108 7.4559 7.4559 10.2488 10.2488 k = 0.5000 0.5000 0.0805 ( 2532 PWs) bands (ev): -11.7753 -11.7753 -1.6589 -1.6589 -1.5680 -1.5680 -1.1323 -1.1323 -1.0759 -1.0759 -0.9599 -0.9599 -0.5695 -0.5695 -0.5353 -0.5353 0.5487 0.5487 2.7389 2.7389 7.2902 7.2902 7.4357 7.4357 10.2938 10.2938 k = 0.5000 0.5000 0.0939 ( 2532 PWs) bands (ev): -11.7735 -11.7735 -1.6602 -1.6602 -1.5725 -1.5725 -1.1379 -1.1379 -1.0919 -1.0919 -0.9631 -0.9631 -0.5453 -0.5453 -0.5153 -0.5153 0.5368 0.5368 2.7559 2.7559 7.2662 7.2662 7.4121 7.4121 10.3466 10.3466 k = 0.5000 0.5000 0.1073 ( 2532 PWs) bands (ev): -11.7714 -11.7714 -1.6620 -1.6620 -1.5776 -1.5776 -1.1434 -1.1434 -1.1089 -1.1089 -0.9664 -0.9664 -0.5193 -0.5193 -0.4934 -0.4934 0.5235 0.5235 2.7756 2.7756 7.2389 7.2389 7.3853 7.3853 10.4070 10.4070 k = 0.5000 0.5000 0.1207 ( 2532 PWs) bands (ev): -11.7691 -11.7691 -1.6642 -1.6642 -1.5833 -1.5833 -1.1483 -1.1483 -1.1265 -1.1265 -0.9698 -0.9698 -0.4920 -0.4920 -0.4697 -0.4697 0.5088 0.5088 2.7979 2.7979 7.2085 7.2085 7.3554 7.3554 10.4747 10.4747 k = 0.5000 0.5000 0.1342 ( 2540 PWs) bands (ev): -11.7666 -11.7666 -1.6670 -1.6670 -1.5897 -1.5897 -1.1527 -1.1527 -1.1445 -1.1445 -0.9732 -0.9732 -0.4637 -0.4637 -0.4446 -0.4446 0.4930 0.4930 2.8230 2.8230 7.1751 7.1751 7.3226 7.3226 10.5496 10.5496 k = 0.5000 0.5000 0.1476 ( 2540 PWs) bands (ev): -11.7639 -11.7639 -1.6703 -1.6703 -1.5965 -1.5965 -1.1626 -1.1626 -1.1561 -1.1561 -0.9767 -0.9767 -0.4345 -0.4345 -0.4182 -0.4182 0.4763 0.4763 2.8509 2.8509 7.1390 7.1390 7.2871 7.2871 10.4366 10.4366 k = 0.5000 0.5000 0.1610 ( 2532 PWs) bands (ev): -11.7609 -11.7609 -1.6742 -1.6742 -1.6039 -1.6039 -1.1808 -1.1808 -1.1585 -1.1585 -0.9803 -0.9803 -0.4046 -0.4046 -0.3907 -0.3907 0.4587 0.4587 2.8815 2.8815 7.1004 7.1004 7.2492 7.2492 10.2328 10.2328 k = 0.5000 0.5000 0.1744 ( 2532 PWs) bands (ev): -11.7578 -11.7578 -1.6787 -1.6787 -1.6118 -1.6118 -1.1990 -1.1990 -1.1598 -1.1598 -0.9840 -0.9840 -0.3743 -0.3743 -0.3624 -0.3624 0.4405 0.4405 2.9150 2.9150 7.0595 7.0595 7.2090 7.2090 10.0286 10.0286 k = 0.5000 0.5000 0.1878 ( 2532 PWs) bands (ev): -11.7546 -11.7546 -1.6838 -1.6838 -1.6202 -1.6202 -1.2170 -1.2170 -1.1599 -1.1599 -0.9878 -0.9878 -0.3436 -0.3436 -0.3334 -0.3334 0.4219 0.4219 2.9513 2.9513 7.0166 7.0166 7.1668 7.1668 9.8246 9.8246 k = 0.5000 0.5000 0.2012 ( 2536 PWs) bands (ev): -11.7512 -11.7512 -1.6895 -1.6895 -1.6289 -1.6289 -1.2349 -1.2349 -1.1590 -1.1590 -0.9916 -0.9916 -0.3127 -0.3127 -0.3039 -0.3039 0.4030 0.4030 2.9906 2.9906 6.9719 6.9719 7.1230 7.1230 9.6214 9.6214 k = 0.5000 0.5000 0.2147 ( 2536 PWs) bands (ev): -11.7477 -11.7477 -1.6957 -1.6957 -1.6380 -1.6380 -1.2525 -1.2525 -1.1569 -1.1569 -0.9954 -0.9954 -0.2816 -0.2816 -0.2741 -0.2741 0.3840 0.3840 3.0327 3.0327 6.9257 6.9257 7.0777 7.0777 9.4194 9.4194 k = 0.5000 0.5000 0.2281 ( 2544 PWs) bands (ev): -11.7441 -11.7441 -1.7025 -1.7025 -1.6474 -1.6474 -1.2699 -1.2699 -1.1537 -1.1537 -0.9992 -0.9992 -0.2507 -0.2507 -0.2440 -0.2440 0.3649 0.3649 3.0778 3.0778 6.8783 6.8783 7.0312 7.0312 9.2190 9.2190 k = 0.5000 0.5000 0.2415 ( 2544 PWs) bands (ev): -11.7404 -11.7404 -1.7096 -1.7096 -1.6570 -1.6570 -1.2870 -1.2870 -1.1496 -1.1496 -1.0030 -1.0030 -0.2198 -0.2198 -0.2138 -0.2138 0.3461 0.3461 3.1259 3.1259 6.8300 6.8300 6.9839 6.9839 9.0205 9.0205 k = 0.5000 0.5000 0.2549 ( 2544 PWs) bands (ev): -11.7366 -11.7366 -1.7170 -1.7170 -1.6667 -1.6667 -1.3038 -1.3038 -1.1445 -1.1445 -1.0068 -1.0068 -0.1892 -0.1892 -0.1838 -0.1838 0.3275 0.3275 3.1770 3.1770 6.7811 6.7811 6.9360 6.9360 8.8242 8.8242 k = 0.5000 0.5000 0.2683 ( 2536 PWs) bands (ev): -11.7328 -11.7328 -1.7246 -1.7246 -1.6766 -1.6766 -1.3202 -1.3202 -1.1386 -1.1386 -1.0104 -1.0104 -0.1589 -0.1589 -0.1539 -0.1539 0.3094 0.3094 3.2311 3.2311 6.7318 6.7318 6.8878 6.8878 8.6303 8.6303 k = 0.5000 0.5000 0.2817 ( 2544 PWs) bands (ev): -11.7291 -11.7291 -1.7324 -1.7324 -1.6865 -1.6865 -1.3363 -1.3363 -1.1322 -1.1322 -1.0140 -1.0140 -0.1292 -0.1292 -0.1244 -0.1244 0.2917 0.2917 3.2882 3.2882 6.6825 6.6825 6.8397 6.8397 8.4391 8.4391 k = 0.5000 0.5000 0.2952 ( 2544 PWs) bands (ev): -11.7253 -11.7253 -1.7403 -1.7403 -1.6964 -1.6964 -1.3519 -1.3519 -1.1251 -1.1251 -1.0175 -1.0175 -0.1000 -0.1000 -0.0953 -0.0953 0.2747 0.2747 3.3483 3.3483 6.6334 6.6334 6.7918 6.7918 8.2508 8.2508 k = 0.5000 0.5000 0.3086 ( 2544 PWs) bands (ev): -11.7216 -11.7216 -1.7481 -1.7481 -1.7062 -1.7062 -1.3670 -1.3670 -1.1177 -1.1177 -1.0208 -1.0208 -0.0715 -0.0715 -0.0668 -0.0668 0.2584 0.2584 3.4115 3.4115 6.5848 6.5848 6.7446 6.7446 8.0656 8.0656 k = 0.5000 0.5000 0.3220 ( 2536 PWs) bands (ev): -11.7179 -11.7179 -1.7559 -1.7559 -1.7158 -1.7158 -1.3816 -1.3816 -1.1101 -1.1101 -1.0239 -1.0239 -0.0439 -0.0439 -0.0390 -0.0390 0.2428 0.2428 3.4776 3.4776 6.5370 6.5370 6.6982 6.6982 7.8837 7.8837 k = 0.5000 0.5000 0.3354 ( 2520 PWs) bands (ev): -11.7143 -11.7143 -1.7634 -1.7634 -1.7252 -1.7252 -1.3957 -1.3957 -1.1022 -1.1022 -1.0269 -1.0269 -0.0171 -0.0171 -0.0120 -0.0120 0.2280 0.2280 3.5466 3.5466 6.4902 6.4902 6.6531 6.6531 7.7054 7.7054 k = 0.5000 0.5000 0.3488 ( 2520 PWs) bands (ev): -11.7109 -11.7109 -1.7708 -1.7708 -1.7345 -1.7345 -1.4092 -1.4092 -1.0942 -1.0942 -1.0297 -1.0297 0.0086 0.0086 0.0139 0.0139 0.2141 0.2141 3.6185 3.6185 6.4447 6.4447 6.6094 6.6094 7.5310 7.5310 k = 0.5000 0.5000 0.3622 ( 2520 PWs) bands (ev): -11.7075 -11.7075 -1.7779 -1.7779 -1.7434 -1.7434 -1.4220 -1.4220 -1.0864 -1.0864 -1.0324 -1.0324 0.0331 0.0331 0.0388 0.0388 0.2011 0.2011 3.6931 3.6931 6.4006 6.4006 6.5673 6.5673 7.3608 7.3608 k = 0.5000 0.5000 0.3757 ( 2520 PWs) bands (ev): -11.7043 -11.7043 -1.7847 -1.7847 -1.7519 -1.7519 -1.4341 -1.4341 -1.0787 -1.0787 -1.0349 -1.0349 0.0564 0.0564 0.0624 0.0624 0.1891 0.1891 3.7702 3.7702 6.3580 6.3580 6.5273 6.5273 7.1952 7.1952 k = 0.5000 0.5000 0.3891 ( 2528 PWs) bands (ev): -11.7013 -11.7013 -1.7911 -1.7911 -1.7600 -1.7600 -1.4455 -1.4455 -1.0713 -1.0713 -1.0372 -1.0372 0.0782 0.0782 0.0846 0.0846 0.1780 0.1780 3.8496 3.8496 6.3171 6.3171 6.4895 6.4895 7.0347 7.0347 k = 0.5000 0.5000 0.4025 ( 2508 PWs) bands (ev): -11.6985 -11.6985 -1.7970 -1.7970 -1.7676 -1.7676 -1.4560 -1.4560 -1.0640 -1.0640 -1.0393 -1.0393 0.0986 0.0986 0.1054 0.1054 0.1679 0.1679 3.9311 3.9311 6.2776 6.2776 6.4541 6.4541 6.8802 6.8802 k = 0.5000 0.5000 0.4159 ( 2512 PWs) bands (ev): -11.6959 -11.6959 -1.8025 -1.8025 -1.7746 -1.7746 -1.4657 -1.4657 -1.0574 -1.0574 -1.0412 -1.0412 0.1171 0.1171 0.1246 0.1246 0.1590 0.1590 4.0141 4.0141 6.2392 6.2392 6.4214 6.4214 6.7328 6.7328 k = 0.5000 0.5000 0.4293 ( 2520 PWs) bands (ev): -11.6935 -11.6935 -1.8075 -1.8075 -1.7812 -1.7812 -1.4745 -1.4745 -1.0512 -1.0512 -1.0429 -1.0429 0.1332 0.1332 0.1421 0.1421 0.1517 0.1517 4.0980 4.0980 6.2008 6.2008 6.3916 6.3916 6.5945 6.5945 k = 0.5000 0.5000 0.4427 ( 2528 PWs) bands (ev): -11.6914 -11.6914 -1.8121 -1.8121 -1.7870 -1.7870 -1.4824 -1.4824 -1.0457 -1.0457 -1.0444 -1.0444 0.1399 0.1399 0.1531 0.1531 0.1578 0.1578 4.1820 4.1820 6.1603 6.1603 6.3648 6.3648 6.4685 6.4685 k = 0.5000 0.5000 0.4562 ( 2528 PWs) bands (ev): -11.6895 -11.6895 -1.8160 -1.8160 -1.7922 -1.7922 -1.4893 -1.4893 -1.0456 -1.0456 -1.0408 -1.0408 0.1353 0.1353 0.1649 0.1649 0.1716 0.1716 4.2649 4.2649 6.1130 6.1130 6.3413 6.3413 6.3609 6.3609 k = 0.5000 0.5000 0.4696 ( 2528 PWs) bands (ev): -11.6879 -11.6879 -1.8193 -1.8193 -1.7966 -1.7966 -1.4952 -1.4952 -1.0467 -1.0467 -1.0365 -1.0365 0.1304 0.1304 0.1761 0.1761 0.1835 0.1835 4.3449 4.3449 6.0534 6.0534 6.2792 6.2792 6.3211 6.3211 k = 0.5000 0.5000 0.4830 ( 2528 PWs) bands (ev): -11.6865 -11.6865 -1.8221 -1.8221 -1.8003 -1.8003 -1.5000 -1.5000 -1.0476 -1.0476 -1.0329 -1.0329 0.1262 0.1262 0.1855 0.1855 0.1933 0.1933 4.4196 4.4196 5.9822 5.9822 6.2254 6.2254 6.3044 6.3044 k = 0.5000 0.5000 0.4964 ( 2532 PWs) bands (ev): -11.6855 -11.6855 -1.8243 -1.8243 -1.8032 -1.8032 -1.5038 -1.5038 -1.0483 -1.0483 -1.0301 -1.0301 0.1228 0.1228 0.1929 0.1929 0.2009 0.2009 4.4856 4.4856 5.9100 5.9100 6.1923 6.1923 6.2913 6.2913 k = 0.5000 0.5000 0.5098 ( 2512 PWs) bands (ev): -11.6847 -11.6847 -1.8258 -1.8258 -1.8052 -1.8052 -1.5065 -1.5065 -1.0487 -1.0487 -1.0280 -1.0280 0.1205 0.1205 0.1983 0.1983 0.2065 0.2065 4.5383 4.5383 5.8488 5.8488 6.1725 6.1725 6.2819 6.2819 k = 0.5000 0.5000 0.5232 ( 2504 PWs) bands (ev): -11.6842 -11.6842 -1.8267 -1.8267 -1.8065 -1.8065 -1.5081 -1.5081 -1.0490 -1.0490 -1.0267 -1.0267 0.1191 0.1191 0.2015 0.2015 0.2098 0.2098 4.5729 4.5729 5.8080 5.8080 6.1618 6.1618 6.2762 6.2762 k = 0.5000 0.5000 0.5367 ( 2504 PWs) bands (ev): -11.6841 -11.6841 -1.8270 -1.8270 -1.8069 -1.8069 -1.5086 -1.5086 -1.0491 -1.0491 -1.0263 -1.0263 0.1186 0.1186 0.2026 0.2026 0.2109 0.2109 4.5850 4.5850 5.7937 5.7937 6.1584 6.1584 6.2743 6.2743 Writing output data file AgCl.save init_run : 0.16s CPU 0.25s WALL ( 1 calls) electrons : 43.50s CPU 44.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 43.50s CPU 44.65s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 387 calls) cegterg : 39.38s CPU 40.18s WALL ( 445 calls) Called by sum_band: Called by *egterg: h_psi : 20.42s CPU 20.98s WALL ( 6913 calls) s_psi : 1.06s CPU 1.01s WALL ( 6913 calls) g_psi : 0.10s CPU 0.07s WALL ( 6081 calls) cdiaghg : 16.74s CPU 17.14s WALL ( 6468 calls) cegterg:over : 1.29s CPU 1.38s WALL ( 6081 calls) cegterg:upda : 1.02s CPU 1.04s WALL ( 6081 calls) cegterg:last : 0.60s CPU 0.59s WALL ( 1182 calls) cdiaghg:chol : 0.93s CPU 0.89s WALL ( 6468 calls) cdiaghg:inve : 0.27s CPU 0.30s WALL ( 6468 calls) cdiaghg:para : 1.13s CPU 1.13s WALL ( 12936 calls) Called by h_psi: h_psi:vloc : 18.24s CPU 18.72s WALL ( 6913 calls) h_psi:vnl : 2.13s CPU 2.23s WALL ( 6913 calls) add_vuspsi : 1.18s CPU 1.26s WALL ( 6913 calls) General routines calbec : 0.94s CPU 0.95s WALL ( 6913 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 17.40s CPU 17.81s WALL ( 379740 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.18s WALL ( 774 calls) Parallel routines fft_scatter : 9.02s CPU 9.33s WALL ( 379763 calls) PWSCF : 0m52.39s CPU 1m 1.87s WALL This run was terminated on: 18:17:57 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=