Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:35:48 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: ./CaCl2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 38 11 2416 1328 209 Max 57 39 13 2421 1341 211 Sum 2039 1377 401 87047 47997 7545 bravais-lattice index = 14 lattice parameter (alat) = 7.9368 a.u. unit-cell volume = 1137.2118 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.936849 celldm(2)= 1.485714 celldm(3)= 1.530952 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 1.485714 0.000000 ) a(3) = ( 0.000000 0.000000 1.530952 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.673077 -0.000000 ) b(3) = ( 0.000000 0.000000 0.653188 ) 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Ca 10.00 40.07800 Ca( 1.00) 4 Sym. Ops., with inversion, found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [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 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 368 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0131579 -0.0000000 -0.0000000), wk = 0.0027174 k( 3) = ( 0.0263158 -0.0000000 -0.0000000), wk = 0.0027174 k( 4) = ( 0.0394737 -0.0000000 -0.0000000), wk = 0.0027174 k( 5) = ( 0.0526316 -0.0000000 -0.0000000), wk = 0.0027174 k( 6) = ( 0.0657895 -0.0000000 -0.0000000), wk = 0.0027174 k( 7) = ( 0.0789474 -0.0000000 -0.0000000), wk = 0.0027174 k( 8) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0027174 k( 9) = ( 0.1052632 -0.0000000 -0.0000000), wk = 0.0027174 k( 10) = ( 0.1184210 -0.0000000 -0.0000000), wk = 0.0027174 k( 11) = ( 0.1315790 -0.0000000 -0.0000000), wk = 0.0027174 k( 12) = ( 0.1447368 -0.0000000 -0.0000000), wk = 0.0027174 k( 13) = ( 0.1578947 -0.0000000 -0.0000000), wk = 0.0027174 k( 14) = ( 0.1710526 -0.0000000 -0.0000000), wk = 0.0027174 k( 15) = ( 0.1842105 -0.0000000 -0.0000000), wk = 0.0027174 k( 16) = ( 0.1973684 -0.0000000 -0.0000000), wk = 0.0027174 k( 17) = ( 0.2105263 -0.0000000 -0.0000000), wk = 0.0027174 k( 18) = ( 0.2236842 -0.0000000 -0.0000000), wk = 0.0027174 k( 19) = ( 0.2368421 -0.0000000 -0.0000000), wk = 0.0027174 k( 20) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0027174 k( 21) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0027174 k( 22) = ( 0.2763158 -0.0000000 -0.0000000), wk = 0.0027174 k( 23) = ( 0.2894737 -0.0000000 -0.0000000), wk = 0.0027174 k( 24) = ( 0.3026316 -0.0000000 -0.0000000), wk = 0.0027174 k( 25) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0027174 k( 26) = ( 0.3289474 -0.0000000 -0.0000000), wk = 0.0027174 k( 27) = ( 0.3421053 -0.0000000 -0.0000000), wk = 0.0027174 k( 28) = ( 0.3552632 -0.0000000 -0.0000000), wk = 0.0027174 k( 29) = ( 0.3684211 -0.0000000 -0.0000000), wk = 0.0027174 k( 30) = ( 0.3815789 -0.0000000 -0.0000000), wk = 0.0027174 k( 31) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0027174 k( 32) = ( 0.4078947 -0.0000000 -0.0000000), wk = 0.0027174 k( 33) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0027174 k( 34) = ( 0.4342105 -0.0000000 -0.0000000), wk = 0.0027174 k( 35) = ( 0.4473684 -0.0000000 -0.0000000), wk = 0.0027174 k( 36) = ( 0.4605263 -0.0000000 -0.0000000), wk = 0.0027174 k( 37) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0027174 k( 38) = ( 0.4868421 -0.0000000 -0.0000000), wk = 0.0027174 k( 39) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027174 k( 40) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027174 k( 41) = ( 0.5000000 0.0129438 -0.0000000), wk = 0.0027174 k( 42) = ( 0.5000000 0.0258876 -0.0000000), wk = 0.0027174 k( 43) = ( 0.5000000 0.0388314 -0.0000000), wk = 0.0027174 k( 44) = ( 0.5000000 0.0517751 -0.0000000), wk = 0.0027174 k( 45) = ( 0.5000000 0.0647189 -0.0000000), wk = 0.0027174 k( 46) = ( 0.5000000 0.0776627 -0.0000000), wk = 0.0027174 k( 47) = ( 0.5000000 0.0906065 -0.0000000), wk = 0.0027174 k( 48) = ( 0.5000000 0.1035503 -0.0000000), wk = 0.0027174 k( 49) = ( 0.5000000 0.1164941 -0.0000000), wk = 0.0027174 k( 50) = ( 0.5000000 0.1294379 -0.0000000), wk = 0.0027174 k( 51) = ( 0.5000000 0.1423817 -0.0000000), wk = 0.0027174 k( 52) = ( 0.5000000 0.1553254 -0.0000000), wk = 0.0027174 k( 53) = ( 0.5000000 0.1682692 -0.0000000), wk = 0.0027174 k( 54) = ( 0.5000000 0.1812130 -0.0000000), wk = 0.0027174 k( 55) = ( 0.5000000 0.1941568 -0.0000000), wk = 0.0027174 k( 56) = ( 0.5000000 0.2071006 -0.0000000), wk = 0.0027174 k( 57) = ( 0.5000000 0.2200444 -0.0000000), wk = 0.0027174 k( 58) = ( 0.5000000 0.2329882 -0.0000000), wk = 0.0027174 k( 59) = ( 0.5000000 0.2459320 -0.0000000), wk = 0.0027174 k( 60) = ( 0.5000000 0.2588757 -0.0000000), wk = 0.0027174 k( 61) = ( 0.5000000 0.2718195 -0.0000000), wk = 0.0027174 k( 62) = ( 0.5000000 0.2847633 -0.0000000), wk = 0.0027174 k( 63) = ( 0.5000000 0.2977071 -0.0000000), wk = 0.0027174 k( 64) = ( 0.5000000 0.3106509 -0.0000000), wk = 0.0027174 k( 65) = ( 0.5000000 0.3235947 -0.0000000), wk = 0.0027174 k( 66) = ( 0.5000000 0.3365385 -0.0000000), wk = 0.0027174 k( 67) = ( 0.5000000 0.3365385 -0.0000000), wk = 0.0027174 k( 68) = ( 0.4868421 0.3365385 -0.0000000), wk = 0.0027174 k( 69) = ( 0.4736842 0.3365385 -0.0000000), wk = 0.0027174 k( 70) = ( 0.4605263 0.3365385 -0.0000000), wk = 0.0027174 k( 71) = ( 0.4473684 0.3365385 -0.0000000), wk = 0.0027174 k( 72) = ( 0.4342105 0.3365385 -0.0000000), wk = 0.0027174 k( 73) = ( 0.4210526 0.3365385 -0.0000000), wk = 0.0027174 k( 74) = ( 0.4078947 0.3365385 -0.0000000), wk = 0.0027174 k( 75) = ( 0.3947368 0.3365385 -0.0000000), wk = 0.0027174 k( 76) = ( 0.3815789 0.3365385 -0.0000000), wk = 0.0027174 k( 77) = ( 0.3684211 0.3365385 -0.0000000), wk = 0.0027174 k( 78) = ( 0.3552632 0.3365385 -0.0000000), wk = 0.0027174 k( 79) = ( 0.3421053 0.3365385 -0.0000000), wk = 0.0027174 k( 80) = ( 0.3289474 0.3365385 -0.0000000), wk = 0.0027174 k( 81) = ( 0.3157895 0.3365385 -0.0000000), wk = 0.0027174 k( 82) = ( 0.3026316 0.3365385 -0.0000000), wk = 0.0027174 k( 83) = ( 0.2894737 0.3365385 -0.0000000), wk = 0.0027174 k( 84) = ( 0.2763158 0.3365385 -0.0000000), wk = 0.0027174 k( 85) = ( 0.2631579 0.3365385 -0.0000000), wk = 0.0027174 k( 86) = ( 0.2500000 0.3365385 -0.0000000), wk = 0.0027174 k( 87) = ( 0.2368421 0.3365385 -0.0000000), wk = 0.0027174 k( 88) = ( 0.2236842 0.3365385 -0.0000000), wk = 0.0027174 k( 89) = ( 0.2105263 0.3365385 -0.0000000), wk = 0.0027174 k( 90) = ( 0.1973684 0.3365385 -0.0000000), wk = 0.0027174 k( 91) = ( 0.1842105 0.3365385 -0.0000000), wk = 0.0027174 k( 92) = ( 0.1710526 0.3365385 -0.0000000), wk = 0.0027174 k( 93) = ( 0.1578947 0.3365385 -0.0000000), wk = 0.0027174 k( 94) = ( 0.1447368 0.3365385 -0.0000000), wk = 0.0027174 k( 95) = ( 0.1315790 0.3365385 -0.0000000), wk = 0.0027174 k( 96) = ( 0.1184210 0.3365385 -0.0000000), wk = 0.0027174 k( 97) = ( 0.1052632 0.3365385 -0.0000000), wk = 0.0027174 k( 98) = ( 0.0921053 0.3365385 -0.0000000), wk = 0.0027174 k( 99) = ( 0.0789474 0.3365385 -0.0000000), wk = 0.0027174 k( 100) = ( 0.0657895 0.3365385 -0.0000000), wk = 0.0027174 k( 101) = ( 0.0526316 0.3365385 -0.0000000), wk = 0.0027174 k( 102) = ( 0.0394737 0.3365385 -0.0000000), wk = 0.0027174 k( 103) = ( 0.0263158 0.3365385 -0.0000000), wk = 0.0027174 k( 104) = ( 0.0131579 0.3365385 -0.0000000), wk = 0.0027174 k( 105) = ( 0.0000000 0.3365385 -0.0000000), wk = 0.0027174 k( 106) = ( 0.0000000 0.3365385 -0.0000000), wk = 0.0027174 k( 107) = ( 0.0000000 0.3235947 -0.0000000), wk = 0.0027174 k( 108) = ( 0.0000000 0.3106509 -0.0000000), wk = 0.0027174 k( 109) = ( 0.0000000 0.2977071 -0.0000000), wk = 0.0027174 k( 110) = ( 0.0000000 0.2847633 -0.0000000), wk = 0.0027174 k( 111) = ( 0.0000000 0.2718195 -0.0000000), wk = 0.0027174 k( 112) = ( 0.0000000 0.2588757 -0.0000000), wk = 0.0027174 k( 113) = ( 0.0000000 0.2459320 -0.0000000), wk = 0.0027174 k( 114) = ( 0.0000000 0.2329882 -0.0000000), wk = 0.0027174 k( 115) = ( 0.0000000 0.2200444 -0.0000000), wk = 0.0027174 k( 116) = ( 0.0000000 0.2071006 -0.0000000), wk = 0.0027174 k( 117) = ( 0.0000000 0.1941568 -0.0000000), wk = 0.0027174 k( 118) = ( 0.0000000 0.1812130 -0.0000000), wk = 0.0027174 k( 119) = ( 0.0000000 0.1682692 -0.0000000), wk = 0.0027174 k( 120) = ( 0.0000000 0.1553254 -0.0000000), wk = 0.0027174 k( 121) = ( 0.0000000 0.1423817 -0.0000000), wk = 0.0027174 k( 122) = ( 0.0000000 0.1294379 -0.0000000), wk = 0.0027174 k( 123) = ( 0.0000000 0.1164941 -0.0000000), wk = 0.0027174 k( 124) = ( 0.0000000 0.1035503 -0.0000000), wk = 0.0027174 k( 125) = ( 0.0000000 0.0906065 -0.0000000), wk = 0.0027174 k( 126) = ( 0.0000000 0.0776627 -0.0000000), wk = 0.0027174 k( 127) = ( 0.0000000 0.0647189 -0.0000000), wk = 0.0027174 k( 128) = ( 0.0000000 0.0517751 -0.0000000), wk = 0.0027174 k( 129) = ( 0.0000000 0.0388314 -0.0000000), wk = 0.0027174 k( 130) = ( 0.0000000 0.0258876 -0.0000000), wk = 0.0027174 k( 131) = ( 0.0000000 0.0129438 -0.0000000), wk = 0.0027174 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 134) = ( 0.0000000 0.0000000 0.0130638), wk = 0.0027174 k( 135) = ( 0.0000000 0.0000000 0.0261275), wk = 0.0027174 k( 136) = ( 0.0000000 0.0000000 0.0391913), wk = 0.0027174 k( 137) = ( 0.0000000 0.0000000 0.0522551), wk = 0.0027174 k( 138) = ( 0.0000000 0.0000000 0.0653188), wk = 0.0027174 k( 139) = ( 0.0000000 0.0000000 0.0783826), wk = 0.0027174 k( 140) = ( 0.0000000 0.0000000 0.0914463), wk = 0.0027174 k( 141) = ( 0.0000000 0.0000000 0.1045101), wk = 0.0027174 k( 142) = ( 0.0000000 0.0000000 0.1175739), wk = 0.0027174 k( 143) = ( 0.0000000 0.0000000 0.1306376), wk = 0.0027174 k( 144) = ( 0.0000000 0.0000000 0.1437014), wk = 0.0027174 k( 145) = ( 0.0000000 0.0000000 0.1567652), wk = 0.0027174 k( 146) = ( 0.0000000 0.0000000 0.1698289), wk = 0.0027174 k( 147) = ( 0.0000000 0.0000000 0.1828927), wk = 0.0027174 k( 148) = ( 0.0000000 0.0000000 0.1959565), wk = 0.0027174 k( 149) = ( 0.0000000 0.0000000 0.2090202), wk = 0.0027174 k( 150) = ( 0.0000000 0.0000000 0.2220840), wk = 0.0027174 k( 151) = ( 0.0000000 0.0000000 0.2351477), wk = 0.0027174 k( 152) = ( 0.0000000 0.0000000 0.2482115), wk = 0.0027174 k( 153) = ( 0.0000000 0.0000000 0.2612753), wk = 0.0027174 k( 154) = ( 0.0000000 0.0000000 0.2743390), wk = 0.0027174 k( 155) = ( 0.0000000 0.0000000 0.2874028), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.3004666), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.3135303), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.3265941), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.3265941), wk = 0.0027174 k( 160) = ( 0.0131579 -0.0000000 0.3265941), wk = 0.0027174 k( 161) = ( 0.0263158 -0.0000000 0.3265941), wk = 0.0027174 k( 162) = ( 0.0394737 -0.0000000 0.3265941), wk = 0.0027174 k( 163) = ( 0.0526316 -0.0000000 0.3265941), wk = 0.0027174 k( 164) = ( 0.0657895 -0.0000000 0.3265941), wk = 0.0027174 k( 165) = ( 0.0789474 -0.0000000 0.3265941), wk = 0.0027174 k( 166) = ( 0.0921053 -0.0000000 0.3265941), wk = 0.0027174 k( 167) = ( 0.1052632 -0.0000000 0.3265941), wk = 0.0027174 k( 168) = ( 0.1184210 -0.0000000 0.3265941), wk = 0.0027174 k( 169) = ( 0.1315790 -0.0000000 0.3265941), wk = 0.0027174 k( 170) = ( 0.1447368 -0.0000000 0.3265941), wk = 0.0027174 k( 171) = ( 0.1578947 -0.0000000 0.3265941), wk = 0.0027174 k( 172) = ( 0.1710526 -0.0000000 0.3265941), wk = 0.0027174 k( 173) = ( 0.1842105 -0.0000000 0.3265941), wk = 0.0027174 k( 174) = ( 0.1973684 -0.0000000 0.3265941), wk = 0.0027174 k( 175) = ( 0.2105263 -0.0000000 0.3265941), wk = 0.0027174 k( 176) = ( 0.2236842 -0.0000000 0.3265941), wk = 0.0027174 k( 177) = ( 0.2368421 -0.0000000 0.3265941), wk = 0.0027174 k( 178) = ( 0.2500000 -0.0000000 0.3265941), wk = 0.0027174 k( 179) = ( 0.2631579 -0.0000000 0.3265941), wk = 0.0027174 k( 180) = ( 0.2763158 -0.0000000 0.3265941), wk = 0.0027174 k( 181) = ( 0.2894737 -0.0000000 0.3265941), wk = 0.0027174 k( 182) = ( 0.3026316 -0.0000000 0.3265941), wk = 0.0027174 k( 183) = ( 0.3157895 -0.0000000 0.3265941), wk = 0.0027174 k( 184) = ( 0.3289474 -0.0000000 0.3265941), wk = 0.0027174 k( 185) = ( 0.3421053 -0.0000000 0.3265941), wk = 0.0027174 k( 186) = ( 0.3552632 -0.0000000 0.3265941), wk = 0.0027174 k( 187) = ( 0.3684211 -0.0000000 0.3265941), wk = 0.0027174 k( 188) = ( 0.3815789 -0.0000000 0.3265941), wk = 0.0027174 k( 189) = ( 0.3947368 -0.0000000 0.3265941), wk = 0.0027174 k( 190) = ( 0.4078947 -0.0000000 0.3265941), wk = 0.0027174 k( 191) = ( 0.4210526 -0.0000000 0.3265941), wk = 0.0027174 k( 192) = ( 0.4342105 -0.0000000 0.3265941), wk = 0.0027174 k( 193) = ( 0.4473684 -0.0000000 0.3265941), wk = 0.0027174 k( 194) = ( 0.4605263 -0.0000000 0.3265941), wk = 0.0027174 k( 195) = ( 0.4736842 -0.0000000 0.3265941), wk = 0.0027174 k( 196) = ( 0.4868421 -0.0000000 0.3265941), wk = 0.0027174 k( 197) = ( 0.5000000 -0.0000000 0.3265941), wk = 0.0027174 k( 198) = ( 0.5000000 -0.0000000 0.3265941), wk = 0.0027174 k( 199) = ( 0.5000000 0.0129438 0.3265941), wk = 0.0027174 k( 200) = ( 0.5000000 0.0258876 0.3265941), wk = 0.0027174 k( 201) = ( 0.5000000 0.0388314 0.3265941), wk = 0.0027174 k( 202) = ( 0.5000000 0.0517751 0.3265941), wk = 0.0027174 k( 203) = ( 0.5000000 0.0647189 0.3265941), wk = 0.0027174 k( 204) = ( 0.5000000 0.0776627 0.3265941), wk = 0.0027174 k( 205) = ( 0.5000000 0.0906065 0.3265941), wk = 0.0027174 k( 206) = ( 0.5000000 0.1035503 0.3265941), wk = 0.0027174 k( 207) = ( 0.5000000 0.1164941 0.3265941), wk = 0.0027174 k( 208) = ( 0.5000000 0.1294379 0.3265941), wk = 0.0027174 k( 209) = ( 0.5000000 0.1423817 0.3265941), wk = 0.0027174 k( 210) = ( 0.5000000 0.1553254 0.3265941), wk = 0.0027174 k( 211) = ( 0.5000000 0.1682692 0.3265941), wk = 0.0027174 k( 212) = ( 0.5000000 0.1812130 0.3265941), wk = 0.0027174 k( 213) = ( 0.5000000 0.1941568 0.3265941), wk = 0.0027174 k( 214) = ( 0.5000000 0.2071006 0.3265941), wk = 0.0027174 k( 215) = ( 0.5000000 0.2200444 0.3265941), wk = 0.0027174 k( 216) = ( 0.5000000 0.2329882 0.3265941), wk = 0.0027174 k( 217) = ( 0.5000000 0.2459320 0.3265941), wk = 0.0027174 k( 218) = ( 0.5000000 0.2588757 0.3265941), wk = 0.0027174 k( 219) = ( 0.5000000 0.2718195 0.3265941), wk = 0.0027174 k( 220) = ( 0.5000000 0.2847633 0.3265941), wk = 0.0027174 k( 221) = ( 0.5000000 0.2977071 0.3265941), wk = 0.0027174 k( 222) = ( 0.5000000 0.3106509 0.3265941), wk = 0.0027174 k( 223) = ( 0.5000000 0.3235947 0.3265941), wk = 0.0027174 k( 224) = ( 0.5000000 0.3365385 0.3265941), wk = 0.0027174 k( 225) = ( 0.5000000 0.3365385 0.3265941), wk = 0.0027174 k( 226) = ( 0.4868421 0.3365385 0.3265941), wk = 0.0027174 k( 227) = ( 0.4736842 0.3365385 0.3265941), wk = 0.0027174 k( 228) = ( 0.4605263 0.3365385 0.3265941), wk = 0.0027174 k( 229) = ( 0.4473684 0.3365385 0.3265941), wk = 0.0027174 k( 230) = ( 0.4342105 0.3365385 0.3265941), wk = 0.0027174 k( 231) = ( 0.4210526 0.3365385 0.3265941), wk = 0.0027174 k( 232) = ( 0.4078947 0.3365385 0.3265941), wk = 0.0027174 k( 233) = ( 0.3947368 0.3365385 0.3265941), wk = 0.0027174 k( 234) = ( 0.3815789 0.3365385 0.3265941), wk = 0.0027174 k( 235) = ( 0.3684211 0.3365385 0.3265941), wk = 0.0027174 k( 236) = ( 0.3552632 0.3365385 0.3265941), wk = 0.0027174 k( 237) = ( 0.3421053 0.3365385 0.3265941), wk = 0.0027174 k( 238) = ( 0.3289474 0.3365385 0.3265941), wk = 0.0027174 k( 239) = ( 0.3157895 0.3365385 0.3265941), wk = 0.0027174 k( 240) = ( 0.3026316 0.3365385 0.3265941), wk = 0.0027174 k( 241) = ( 0.2894737 0.3365385 0.3265941), wk = 0.0027174 k( 242) = ( 0.2763158 0.3365385 0.3265941), wk = 0.0027174 k( 243) = ( 0.2631579 0.3365385 0.3265941), wk = 0.0027174 k( 244) = ( 0.2500000 0.3365385 0.3265941), wk = 0.0027174 k( 245) = ( 0.2368421 0.3365385 0.3265941), wk = 0.0027174 k( 246) = ( 0.2236842 0.3365385 0.3265941), wk = 0.0027174 k( 247) = ( 0.2105263 0.3365385 0.3265941), wk = 0.0027174 k( 248) = ( 0.1973684 0.3365385 0.3265941), wk = 0.0027174 k( 249) = ( 0.1842105 0.3365385 0.3265941), wk = 0.0027174 k( 250) = ( 0.1710526 0.3365385 0.3265941), wk = 0.0027174 k( 251) = ( 0.1578947 0.3365385 0.3265941), wk = 0.0027174 k( 252) = ( 0.1447368 0.3365385 0.3265941), wk = 0.0027174 k( 253) = ( 0.1315790 0.3365385 0.3265941), wk = 0.0027174 k( 254) = ( 0.1184210 0.3365385 0.3265941), wk = 0.0027174 k( 255) = ( 0.1052632 0.3365385 0.3265941), wk = 0.0027174 k( 256) = ( 0.0921053 0.3365385 0.3265941), wk = 0.0027174 k( 257) = ( 0.0789474 0.3365385 0.3265941), wk = 0.0027174 k( 258) = ( 0.0657895 0.3365385 0.3265941), wk = 0.0027174 k( 259) = ( 0.0526316 0.3365385 0.3265941), wk = 0.0027174 k( 260) = ( 0.0394737 0.3365385 0.3265941), wk = 0.0027174 k( 261) = ( 0.0263158 0.3365385 0.3265941), wk = 0.0027174 k( 262) = ( 0.0131579 0.3365385 0.3265941), wk = 0.0027174 k( 263) = ( 0.0000000 0.3365385 0.3265941), wk = 0.0027174 k( 264) = ( 0.0000000 0.3365385 0.3265941), wk = 0.0027174 k( 265) = ( 0.0000000 0.3235947 0.3265941), wk = 0.0027174 k( 266) = ( 0.0000000 0.3106509 0.3265941), wk = 0.0027174 k( 267) = ( 0.0000000 0.2977071 0.3265941), wk = 0.0027174 k( 268) = ( 0.0000000 0.2847633 0.3265941), wk = 0.0027174 k( 269) = ( 0.0000000 0.2718195 0.3265941), wk = 0.0027174 k( 270) = ( 0.0000000 0.2588757 0.3265941), wk = 0.0027174 k( 271) = ( 0.0000000 0.2459320 0.3265941), wk = 0.0027174 k( 272) = ( 0.0000000 0.2329882 0.3265941), wk = 0.0027174 k( 273) = ( 0.0000000 0.2200444 0.3265941), wk = 0.0027174 k( 274) = ( 0.0000000 0.2071006 0.3265941), wk = 0.0027174 k( 275) = ( 0.0000000 0.1941568 0.3265941), wk = 0.0027174 k( 276) = ( 0.0000000 0.1812130 0.3265941), wk = 0.0027174 k( 277) = ( 0.0000000 0.1682692 0.3265941), wk = 0.0027174 k( 278) = ( 0.0000000 0.1553254 0.3265941), wk = 0.0027174 k( 279) = ( 0.0000000 0.1423817 0.3265941), wk = 0.0027174 k( 280) = ( 0.0000000 0.1294379 0.3265941), wk = 0.0027174 k( 281) = ( 0.0000000 0.1164941 0.3265941), wk = 0.0027174 k( 282) = ( 0.0000000 0.1035503 0.3265941), wk = 0.0027174 k( 283) = ( 0.0000000 0.0906065 0.3265941), wk = 0.0027174 k( 284) = ( 0.0000000 0.0776627 0.3265941), wk = 0.0027174 k( 285) = ( 0.0000000 0.0647189 0.3265941), wk = 0.0027174 k( 286) = ( 0.0000000 0.0517751 0.3265941), wk = 0.0027174 k( 287) = ( 0.0000000 0.0388314 0.3265941), wk = 0.0027174 k( 288) = ( 0.0000000 0.0258876 0.3265941), wk = 0.0027174 k( 289) = ( 0.0000000 0.0129438 0.3265941), wk = 0.0027174 k( 290) = ( 0.0000000 0.0000000 0.3265941), wk = 0.0027174 k( 291) = ( 0.0000000 0.3365385 -0.0000000), wk = 0.0027174 k( 292) = ( 0.0000000 0.3365385 0.0130638), wk = 0.0027174 k( 293) = ( 0.0000000 0.3365385 0.0261275), wk = 0.0027174 k( 294) = ( 0.0000000 0.3365385 0.0391913), wk = 0.0027174 k( 295) = ( 0.0000000 0.3365385 0.0522551), wk = 0.0027174 k( 296) = ( 0.0000000 0.3365385 0.0653188), wk = 0.0027174 k( 297) = ( 0.0000000 0.3365385 0.0783826), wk = 0.0027174 k( 298) = ( 0.0000000 0.3365385 0.0914463), wk = 0.0027174 k( 299) = ( 0.0000000 0.3365385 0.1045101), wk = 0.0027174 k( 300) = ( 0.0000000 0.3365385 0.1175739), wk = 0.0027174 k( 301) = ( 0.0000000 0.3365385 0.1306376), wk = 0.0027174 k( 302) = ( 0.0000000 0.3365385 0.1437014), wk = 0.0027174 k( 303) = ( 0.0000000 0.3365385 0.1567652), wk = 0.0027174 k( 304) = ( 0.0000000 0.3365385 0.1698289), wk = 0.0027174 k( 305) = ( 0.0000000 0.3365385 0.1828927), wk = 0.0027174 k( 306) = ( 0.0000000 0.3365385 0.1959565), wk = 0.0027174 k( 307) = ( 0.0000000 0.3365385 0.2090202), wk = 0.0027174 k( 308) = ( 0.0000000 0.3365385 0.2220840), wk = 0.0027174 k( 309) = ( 0.0000000 0.3365385 0.2351477), wk = 0.0027174 k( 310) = ( 0.0000000 0.3365385 0.2482115), wk = 0.0027174 k( 311) = ( 0.0000000 0.3365385 0.2612753), wk = 0.0027174 k( 312) = ( 0.0000000 0.3365385 0.2743390), wk = 0.0027174 k( 313) = ( 0.0000000 0.3365385 0.2874028), wk = 0.0027174 k( 314) = ( 0.0000000 0.3365385 0.3004666), wk = 0.0027174 k( 315) = ( 0.0000000 0.3365385 0.3135303), wk = 0.0027174 k( 316) = ( 0.0000000 0.3365385 0.3265941), wk = 0.0027174 k( 317) = ( 0.5000000 -0.0000000 0.3265941), wk = 0.0027174 k( 318) = ( 0.5000000 -0.0000000 0.3135303), wk = 0.0027174 k( 319) = ( 0.5000000 -0.0000000 0.3004666), wk = 0.0027174 k( 320) = ( 0.5000000 -0.0000000 0.2874028), wk = 0.0027174 k( 321) = ( 0.5000000 -0.0000000 0.2743390), wk = 0.0027174 k( 322) = ( 0.5000000 -0.0000000 0.2612753), wk = 0.0027174 k( 323) = ( 0.5000000 -0.0000000 0.2482115), wk = 0.0027174 k( 324) = ( 0.5000000 -0.0000000 0.2351477), wk = 0.0027174 k( 325) = ( 0.5000000 -0.0000000 0.2220840), wk = 0.0027174 k( 326) = ( 0.5000000 -0.0000000 0.2090202), wk = 0.0027174 k( 327) = ( 0.5000000 -0.0000000 0.1959565), wk = 0.0027174 k( 328) = ( 0.5000000 -0.0000000 0.1828927), wk = 0.0027174 k( 329) = ( 0.5000000 -0.0000000 0.1698289), wk = 0.0027174 k( 330) = ( 0.5000000 -0.0000000 0.1567652), wk = 0.0027174 k( 331) = ( 0.5000000 -0.0000000 0.1437014), wk = 0.0027174 k( 332) = ( 0.5000000 -0.0000000 0.1306376), wk = 0.0027174 k( 333) = ( 0.5000000 -0.0000000 0.1175739), wk = 0.0027174 k( 334) = ( 0.5000000 -0.0000000 0.1045101), wk = 0.0027174 k( 335) = ( 0.5000000 -0.0000000 0.0914463), wk = 0.0027174 k( 336) = ( 0.5000000 -0.0000000 0.0783826), wk = 0.0027174 k( 337) = ( 0.5000000 -0.0000000 0.0653188), wk = 0.0027174 k( 338) = ( 0.5000000 -0.0000000 0.0522551), wk = 0.0027174 k( 339) = ( 0.5000000 -0.0000000 0.0391913), wk = 0.0027174 k( 340) = ( 0.5000000 -0.0000000 0.0261275), wk = 0.0027174 k( 341) = ( 0.5000000 -0.0000000 0.0130638), wk = 0.0027174 k( 342) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027174 k( 343) = ( 0.5000000 0.3365385 -0.0000000), wk = 0.0027174 k( 344) = ( 0.5000000 0.3365385 0.0130638), wk = 0.0027174 k( 345) = ( 0.5000000 0.3365385 0.0261275), wk = 0.0027174 k( 346) = ( 0.5000000 0.3365385 0.0391913), wk = 0.0027174 k( 347) = ( 0.5000000 0.3365385 0.0522551), wk = 0.0027174 k( 348) = ( 0.5000000 0.3365385 0.0653188), wk = 0.0027174 k( 349) = ( 0.5000000 0.3365385 0.0783826), wk = 0.0027174 k( 350) = ( 0.5000000 0.3365385 0.0914463), wk = 0.0027174 k( 351) = ( 0.5000000 0.3365385 0.1045101), wk = 0.0027174 k( 352) = ( 0.5000000 0.3365385 0.1175739), wk = 0.0027174 k( 353) = ( 0.5000000 0.3365385 0.1306376), wk = 0.0027174 k( 354) = ( 0.5000000 0.3365385 0.1437014), wk = 0.0027174 k( 355) = ( 0.5000000 0.3365385 0.1567652), wk = 0.0027174 k( 356) = ( 0.5000000 0.3365385 0.1698289), wk = 0.0027174 k( 357) = ( 0.5000000 0.3365385 0.1828927), wk = 0.0027174 k( 358) = ( 0.5000000 0.3365385 0.1959565), wk = 0.0027174 k( 359) = ( 0.5000000 0.3365385 0.2090202), wk = 0.0027174 k( 360) = ( 0.5000000 0.3365385 0.2220840), wk = 0.0027174 k( 361) = ( 0.5000000 0.3365385 0.2351477), wk = 0.0027174 k( 362) = ( 0.5000000 0.3365385 0.2482115), wk = 0.0027174 k( 363) = ( 0.5000000 0.3365385 0.2612753), wk = 0.0027174 k( 364) = ( 0.5000000 0.3365385 0.2743390), wk = 0.0027174 k( 365) = ( 0.5000000 0.3365385 0.2874028), wk = 0.0027174 k( 366) = ( 0.5000000 0.3365385 0.3004666), wk = 0.0027174 k( 367) = ( 0.5000000 0.3365385 0.3135303), wk = 0.0027174 k( 368) = ( 0.5000000 0.3365385 0.3265941), wk = 0.0027174 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0131579 -0.0000000 -0.0000000), wk = 0.0027174 k( 3) = ( 0.0263158 0.0000000 -0.0000000), wk = 0.0027174 k( 4) = ( 0.0394737 -0.0000000 -0.0000000), wk = 0.0027174 k( 5) = ( 0.0526316 0.0000000 -0.0000000), wk = 0.0027174 k( 6) = ( 0.0657895 0.0000000 -0.0000000), wk = 0.0027174 k( 7) = ( 0.0789474 -0.0000000 -0.0000000), wk = 0.0027174 k( 8) = ( 0.0921053 0.0000000 -0.0000000), wk = 0.0027174 k( 9) = ( 0.1052632 0.0000000 -0.0000000), wk = 0.0027174 k( 10) = ( 0.1184210 -0.0000000 -0.0000000), wk = 0.0027174 k( 11) = ( 0.1315790 0.0000000 -0.0000000), wk = 0.0027174 k( 12) = ( 0.1447368 0.0000000 -0.0000000), wk = 0.0027174 k( 13) = ( 0.1578947 -0.0000000 -0.0000000), wk = 0.0027174 k( 14) = ( 0.1710526 -0.0000000 -0.0000000), wk = 0.0027174 k( 15) = ( 0.1842105 -0.0000000 0.0000000), wk = 0.0027174 k( 16) = ( 0.1973684 -0.0000000 -0.0000000), wk = 0.0027174 k( 17) = ( 0.2105263 0.0000000 -0.0000000), wk = 0.0027174 k( 18) = ( 0.2236842 -0.0000000 -0.0000000), wk = 0.0027174 k( 19) = ( 0.2368421 0.0000000 -0.0000000), wk = 0.0027174 k( 20) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0027174 k( 21) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0027174 k( 22) = ( 0.2763158 0.0000000 -0.0000000), wk = 0.0027174 k( 23) = ( 0.2894737 0.0000000 -0.0000000), wk = 0.0027174 k( 24) = ( 0.3026316 0.0000000 -0.0000000), wk = 0.0027174 k( 25) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0027174 k( 26) = ( 0.3289474 -0.0000000 -0.0000000), wk = 0.0027174 k( 27) = ( 0.3421053 -0.0000000 -0.0000000), wk = 0.0027174 k( 28) = ( 0.3552632 0.0000000 -0.0000000), wk = 0.0027174 k( 29) = ( 0.3684211 0.0000000 -0.0000000), wk = 0.0027174 k( 30) = ( 0.3815789 -0.0000000 -0.0000000), wk = 0.0027174 k( 31) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0027174 k( 32) = ( 0.4078947 0.0000000 -0.0000000), wk = 0.0027174 k( 33) = ( 0.4210526 0.0000000 -0.0000000), wk = 0.0027174 k( 34) = ( 0.4342105 0.0000000 -0.0000000), wk = 0.0027174 k( 35) = ( 0.4473684 -0.0000000 -0.0000000), wk = 0.0027174 k( 36) = ( 0.4605263 -0.0000000 -0.0000000), wk = 0.0027174 k( 37) = ( 0.4736842 0.0000000 -0.0000000), wk = 0.0027174 k( 38) = ( 0.4868421 0.0000000 -0.0000000), wk = 0.0027174 k( 39) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027174 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027174 k( 41) = ( 0.5000000 0.0192308 -0.0000000), wk = 0.0027174 k( 42) = ( 0.5000000 0.0384615 -0.0000000), wk = 0.0027174 k( 43) = ( 0.5000000 0.0576923 -0.0000000), wk = 0.0027174 k( 44) = ( 0.5000000 0.0769231 -0.0000000), wk = 0.0027174 k( 45) = ( 0.5000000 0.0961538 -0.0000000), wk = 0.0027174 k( 46) = ( 0.5000000 0.1153846 -0.0000000), wk = 0.0027174 k( 47) = ( 0.5000000 0.1346154 -0.0000000), wk = 0.0027174 k( 48) = ( 0.5000000 0.1538461 -0.0000000), wk = 0.0027174 k( 49) = ( 0.5000000 0.1730769 -0.0000000), wk = 0.0027174 k( 50) = ( 0.5000000 0.1923077 -0.0000000), wk = 0.0027174 k( 51) = ( 0.5000000 0.2115385 -0.0000000), wk = 0.0027174 k( 52) = ( 0.5000000 0.2307692 -0.0000000), wk = 0.0027174 k( 53) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0027174 k( 54) = ( 0.5000000 0.2692308 -0.0000000), wk = 0.0027174 k( 55) = ( 0.5000000 0.2884615 -0.0000000), wk = 0.0027174 k( 56) = ( 0.5000000 0.3076923 -0.0000000), wk = 0.0027174 k( 57) = ( 0.5000000 0.3269231 -0.0000000), wk = 0.0027174 k( 58) = ( 0.5000000 0.3461538 -0.0000000), wk = 0.0027174 k( 59) = ( 0.5000000 0.3653846 -0.0000000), wk = 0.0027174 k( 60) = ( 0.5000000 0.3846154 -0.0000000), wk = 0.0027174 k( 61) = ( 0.5000000 0.4038462 -0.0000000), wk = 0.0027174 k( 62) = ( 0.5000000 0.4230769 -0.0000000), wk = 0.0027174 k( 63) = ( 0.5000000 0.4423077 -0.0000000), wk = 0.0027174 k( 64) = ( 0.5000000 0.4615385 -0.0000000), wk = 0.0027174 k( 65) = ( 0.5000000 0.4807692 -0.0000000), wk = 0.0027174 k( 66) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 68) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0027174 k( 69) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0027174 k( 70) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0027174 k( 71) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0027174 k( 72) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0027174 k( 73) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0027174 k( 74) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0027174 k( 75) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0027174 k( 76) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0027174 k( 77) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0027174 k( 78) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0027174 k( 79) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0027174 k( 80) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0027174 k( 81) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0027174 k( 82) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0027174 k( 83) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0027174 k( 84) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0027174 k( 85) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0027174 k( 86) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027174 k( 87) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0027174 k( 88) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0027174 k( 89) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0027174 k( 90) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0027174 k( 91) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0027174 k( 92) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0027174 k( 93) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0027174 k( 94) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0027174 k( 95) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0027174 k( 96) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0027174 k( 97) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0027174 k( 98) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0027174 k( 99) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0027174 k( 100) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0027174 k( 101) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0027174 k( 102) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0027174 k( 103) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0027174 k( 104) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0027174 k( 105) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 106) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 107) = ( 0.0000000 0.4807692 -0.0000000), wk = 0.0027174 k( 108) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0027174 k( 109) = ( 0.0000000 0.4423077 0.0000000), wk = 0.0027174 k( 110) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0027174 k( 111) = ( 0.0000000 0.4038462 -0.0000000), wk = 0.0027174 k( 112) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0027174 k( 113) = ( 0.0000000 0.3653846 0.0000000), wk = 0.0027174 k( 114) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0027174 k( 115) = ( 0.0000000 0.3269231 0.0000000), wk = 0.0027174 k( 116) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0027174 k( 117) = ( 0.0000000 0.2884615 -0.0000000), wk = 0.0027174 k( 118) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0027174 k( 119) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027174 k( 120) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0027174 k( 121) = ( 0.0000000 0.2115385 -0.0000000), wk = 0.0027174 k( 122) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0027174 k( 123) = ( 0.0000000 0.1730769 0.0000000), wk = 0.0027174 k( 124) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0027174 k( 125) = ( 0.0000000 0.1346154 0.0000000), wk = 0.0027174 k( 126) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0027174 k( 127) = ( 0.0000000 0.0961538 -0.0000000), wk = 0.0027174 k( 128) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0027174 k( 129) = ( 0.0000000 0.0576923 -0.0000000), wk = 0.0027174 k( 130) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0027174 k( 131) = ( 0.0000000 0.0192308 0.0000000), wk = 0.0027174 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 134) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0027174 k( 135) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0027174 k( 136) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0027174 k( 137) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0027174 k( 138) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027174 k( 139) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0027174 k( 140) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0027174 k( 141) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0027174 k( 142) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0027174 k( 143) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027174 k( 144) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0027174 k( 145) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0027174 k( 146) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0027174 k( 147) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0027174 k( 148) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027174 k( 149) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0027174 k( 150) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0027174 k( 151) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0027174 k( 152) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0027174 k( 153) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027174 k( 154) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0027174 k( 155) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 160) = ( 0.0131579 -0.0000000 0.5000000), wk = 0.0027174 k( 161) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0027174 k( 162) = ( 0.0394737 -0.0000000 0.5000000), wk = 0.0027174 k( 163) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0027174 k( 164) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0027174 k( 165) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0027174 k( 166) = ( 0.0921053 0.0000000 0.5000000), wk = 0.0027174 k( 167) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0027174 k( 168) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0027174 k( 169) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0027174 k( 170) = ( 0.1447368 0.0000000 0.5000000), wk = 0.0027174 k( 171) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0027174 k( 172) = ( 0.1710526 -0.0000000 0.5000000), wk = 0.0027174 k( 173) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0027174 k( 174) = ( 0.1973684 -0.0000000 0.5000000), wk = 0.0027174 k( 175) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0027174 k( 176) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0027174 k( 177) = ( 0.2368421 0.0000000 0.5000000), wk = 0.0027174 k( 178) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0027174 k( 179) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0027174 k( 180) = ( 0.2763158 0.0000000 0.5000000), wk = 0.0027174 k( 181) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0027174 k( 182) = ( 0.3026316 0.0000000 0.5000000), wk = 0.0027174 k( 183) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0027174 k( 184) = ( 0.3289474 -0.0000000 0.5000000), wk = 0.0027174 k( 185) = ( 0.3421053 -0.0000000 0.5000000), wk = 0.0027174 k( 186) = ( 0.3552632 0.0000000 0.5000000), wk = 0.0027174 k( 187) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0027174 k( 188) = ( 0.3815789 -0.0000000 0.5000000), wk = 0.0027174 k( 189) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0027174 k( 190) = ( 0.4078947 0.0000000 0.5000000), wk = 0.0027174 k( 191) = ( 0.4210526 0.0000000 0.5000000), wk = 0.0027174 k( 192) = ( 0.4342105 0.0000000 0.5000000), wk = 0.0027174 k( 193) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0027174 k( 194) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0027174 k( 195) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0027174 k( 196) = ( 0.4868421 0.0000000 0.5000000), wk = 0.0027174 k( 197) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027174 k( 198) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027174 k( 199) = ( 0.5000000 0.0192308 0.5000000), wk = 0.0027174 k( 200) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0027174 k( 201) = ( 0.5000000 0.0576923 0.5000000), wk = 0.0027174 k( 202) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0027174 k( 203) = ( 0.5000000 0.0961538 0.5000000), wk = 0.0027174 k( 204) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0027174 k( 205) = ( 0.5000000 0.1346154 0.5000000), wk = 0.0027174 k( 206) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0027174 k( 207) = ( 0.5000000 0.1730769 0.5000000), wk = 0.0027174 k( 208) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0027174 k( 209) = ( 0.5000000 0.2115385 0.5000000), wk = 0.0027174 k( 210) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0027174 k( 211) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0027174 k( 212) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0027174 k( 213) = ( 0.5000000 0.2884615 0.5000000), wk = 0.0027174 k( 214) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0027174 k( 215) = ( 0.5000000 0.3269231 0.5000000), wk = 0.0027174 k( 216) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0027174 k( 217) = ( 0.5000000 0.3653846 0.5000000), wk = 0.0027174 k( 218) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0027174 k( 219) = ( 0.5000000 0.4038462 0.5000000), wk = 0.0027174 k( 220) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0027174 k( 221) = ( 0.5000000 0.4423077 0.5000000), wk = 0.0027174 k( 222) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0027174 k( 223) = ( 0.5000000 0.4807692 0.5000000), wk = 0.0027174 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 226) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0027174 k( 227) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0027174 k( 228) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0027174 k( 229) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0027174 k( 230) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0027174 k( 231) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0027174 k( 232) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0027174 k( 233) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0027174 k( 234) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0027174 k( 235) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0027174 k( 236) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0027174 k( 237) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0027174 k( 238) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0027174 k( 239) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0027174 k( 240) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0027174 k( 241) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0027174 k( 242) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0027174 k( 243) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0027174 k( 244) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027174 k( 245) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0027174 k( 246) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0027174 k( 247) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0027174 k( 248) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0027174 k( 249) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0027174 k( 250) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0027174 k( 251) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0027174 k( 252) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0027174 k( 253) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0027174 k( 254) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0027174 k( 255) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0027174 k( 256) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0027174 k( 257) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0027174 k( 258) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0027174 k( 259) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0027174 k( 260) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0027174 k( 261) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0027174 k( 262) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0027174 k( 263) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 264) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 265) = ( 0.0000000 0.4807692 0.5000000), wk = 0.0027174 k( 266) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0027174 k( 267) = ( 0.0000000 0.4423077 0.5000000), wk = 0.0027174 k( 268) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0027174 k( 269) = ( 0.0000000 0.4038462 0.5000000), wk = 0.0027174 k( 270) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0027174 k( 271) = ( 0.0000000 0.3653846 0.5000000), wk = 0.0027174 k( 272) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0027174 k( 273) = ( 0.0000000 0.3269231 0.5000000), wk = 0.0027174 k( 274) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0027174 k( 275) = ( 0.0000000 0.2884615 0.5000000), wk = 0.0027174 k( 276) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0027174 k( 277) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027174 k( 278) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0027174 k( 279) = ( 0.0000000 0.2115385 0.5000000), wk = 0.0027174 k( 280) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0027174 k( 281) = ( 0.0000000 0.1730769 0.5000000), wk = 0.0027174 k( 282) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0027174 k( 283) = ( 0.0000000 0.1346154 0.5000000), wk = 0.0027174 k( 284) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0027174 k( 285) = ( 0.0000000 0.0961538 0.5000000), wk = 0.0027174 k( 286) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0027174 k( 287) = ( 0.0000000 0.0576923 0.5000000), wk = 0.0027174 k( 288) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0027174 k( 289) = ( 0.0000000 0.0192308 0.5000000), wk = 0.0027174 k( 290) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 291) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 292) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0027174 k( 293) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0027174 k( 294) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0027174 k( 295) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0027174 k( 296) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0027174 k( 297) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0027174 k( 298) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0027174 k( 299) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0027174 k( 300) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0027174 k( 301) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0027174 k( 302) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0027174 k( 303) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0027174 k( 304) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0027174 k( 305) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0027174 k( 306) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0027174 k( 307) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0027174 k( 308) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0027174 k( 309) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0027174 k( 310) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0027174 k( 311) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0027174 k( 312) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0027174 k( 313) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0027174 k( 314) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0027174 k( 315) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0027174 k( 316) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 317) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027174 k( 318) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0027174 k( 319) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0027174 k( 320) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0027174 k( 321) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0027174 k( 322) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0027174 k( 323) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0027174 k( 324) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0027174 k( 325) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0027174 k( 326) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0027174 k( 327) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0027174 k( 328) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0027174 k( 329) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0027174 k( 330) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0027174 k( 331) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0027174 k( 332) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0027174 k( 333) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0027174 k( 334) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0027174 k( 335) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0027174 k( 336) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0027174 k( 337) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0027174 k( 338) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0027174 k( 339) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0027174 k( 340) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0027174 k( 341) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0027174 k( 342) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027174 k( 343) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 344) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0027174 k( 345) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0027174 k( 346) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0027174 k( 347) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0027174 k( 348) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0027174 k( 349) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0027174 k( 350) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0027174 k( 351) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0027174 k( 352) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0027174 k( 353) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0027174 k( 354) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0027174 k( 355) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0027174 k( 356) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0027174 k( 357) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0027174 k( 358) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0027174 k( 359) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0027174 k( 360) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0027174 k( 361) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0027174 k( 362) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0027174 k( 363) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0027174 k( 364) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0027174 k( 365) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0027174 k( 366) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0027174 k( 367) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0027174 k( 368) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 Dense grid: 87047 G-vectors FFT dimensions: ( 45, 64, 72) Smooth grid: 47997 G-vectors FFT dimensions: ( 36, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 338, 58) NL pseudopotentials 0.53 Mb ( 169, 204) Each V/rho on FFT grid 0.09 Mb ( 5760) Each G-vector array 0.02 Mb ( 2419) G-vector shells 0.01 Mb ( 1238) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.20 Mb ( 338, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.36 Mb ( 204, 2, 58) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./CaCl2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 8.1 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 10.2 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.4 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 14.4 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.6 secs Computing kpt #: 8 total cpu time spent up to now is 17.8 secs Computing kpt #: 9 total cpu time spent up to now is 18.9 secs Computing kpt #: 10 total cpu time spent up to now is 20.1 secs Computing kpt #: 11 total cpu time spent up to now is 21.3 secs Computing kpt #: 12 total cpu time spent up to now is 22.5 secs Computing kpt #: 13 total cpu time spent up to now is 24.0 secs Computing kpt #: 14 total cpu time spent up to now is 25.5 secs Computing kpt #: 15 total cpu time spent up to now is 27.4 secs Computing kpt #: 16 total cpu time spent up to now is 28.6 secs Computing kpt #: 17 total cpu time spent up to now is 29.9 secs Computing kpt #: 18 total cpu time spent up to now is 31.2 secs Computing kpt #: 19 total cpu time spent up to now is 32.3 secs Computing kpt #: 20 total cpu time spent up to now is 33.4 secs Computing kpt #: 21 total cpu time spent up to now is 34.7 secs Computing kpt #: 22 total cpu time spent up to now is 35.8 secs Computing kpt #: 23 total cpu time spent up to now is 37.0 secs Computing kpt #: 24 total cpu time spent up to now is 38.2 secs Computing kpt #: 25 total cpu time spent up to now is 39.4 secs Computing kpt #: 26 total cpu time spent up to now is 40.8 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.9 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.0 secs Computing kpt #: 29 total cpu time spent up to now is 46.2 secs Computing kpt #: 30 total cpu time spent up to now is 47.4 secs Computing kpt #: 31 total cpu time spent up to now is 48.4 secs Computing kpt #: 32 total cpu time spent up to now is 49.6 secs Computing kpt #: 33 total cpu time spent up to now is 50.7 secs Computing kpt #: 34 total cpu time spent up to now is 51.9 secs Computing kpt #: 35 total cpu time spent up to now is 53.3 secs Computing kpt #: 36 total cpu time spent up to now is 54.9 secs Computing kpt #: 37 total cpu time spent up to now is 56.3 secs Computing kpt #: 38 total cpu time spent up to now is 57.9 secs Computing kpt #: 39 total cpu time spent up to now is 59.3 secs Computing kpt #: 40 total cpu time spent up to now is 60.3 secs Computing kpt #: 41 total cpu time spent up to now is 61.5 secs Computing kpt #: 42 total cpu time spent up to now is 63.2 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.3 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.4 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.5 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.7 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.8 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.9 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.0 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.1 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.2 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 84.4 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.5 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.6 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.6 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.7 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.7 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.9 secs Computing kpt #: 59 total cpu time spent up to now is 98.3 secs Computing kpt #: 60 total cpu time spent up to now is 99.6 secs Computing kpt #: 61 total cpu time spent up to now is 101.0 secs Computing kpt #: 62 total cpu time spent up to now is 102.1 secs Computing kpt #: 63 total cpu time spent up to now is 103.3 secs Computing kpt #: 64 total cpu time spent up to now is 104.5 secs Computing kpt #: 65 total cpu time spent up to now is 105.9 secs Computing kpt #: 66 total cpu time spent up to now is 107.3 secs Computing kpt #: 67 total cpu time spent up to now is 108.5 secs Computing kpt #: 68 total cpu time spent up to now is 109.9 secs Computing kpt #: 69 total cpu time spent up to now is 111.0 secs Computing kpt #: 70 total cpu time spent up to now is 112.2 secs Computing kpt #: 71 total cpu time spent up to now is 113.2 secs Computing kpt #: 72 total cpu time spent up to now is 114.3 secs Computing kpt #: 73 total cpu time spent up to now is 115.5 secs Computing kpt #: 74 total cpu time spent up to now is 116.7 secs Computing kpt #: 75 total cpu time spent up to now is 117.9 secs Computing kpt #: 76 total cpu time spent up to now is 119.3 secs Computing kpt #: 77 total cpu time spent up to now is 120.6 secs Computing kpt #: 78 total cpu time spent up to now is 122.0 secs Computing kpt #: 79 total cpu time spent up to now is 123.5 secs Computing kpt #: 80 total cpu time spent up to now is 125.3 secs Computing kpt #: 81 total cpu time spent up to now is 127.1 secs Computing kpt #: 82 total cpu time spent up to now is 128.9 secs Computing kpt #: 83 total cpu time spent up to now is 130.7 secs Computing kpt #: 84 total cpu time spent up to now is 132.5 secs Computing kpt #: 85 total cpu time spent up to now is 134.3 secs Computing kpt #: 86 total cpu time spent up to now is 136.1 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.2 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.3 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.4 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.5 secs Computing kpt #: 91 total cpu time spent up to now is 146.3 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.3 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.5 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.6 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.7 secs Computing kpt #: 96 total cpu time spent up to now is 156.5 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.6 secs Computing kpt #: 98 total cpu time spent up to now is 160.3 secs Computing kpt #: 99 total cpu time spent up to now is 162.1 secs Computing kpt #: 100 total cpu time spent up to now is 163.8 secs Computing kpt #: 101 total cpu time spent up to now is 165.4 secs Computing kpt #: 102 total cpu time spent up to now is 167.0 secs Computing kpt #: 103 total cpu time spent up to now is 168.7 secs Computing kpt #: 104 total cpu time spent up to now is 170.4 secs Computing kpt #: 105 total cpu time spent up to now is 172.1 secs Computing kpt #: 106 total cpu time spent up to now is 173.7 secs Computing kpt #: 107 total cpu time spent up to now is 175.2 secs Computing kpt #: 108 total cpu time spent up to now is 176.4 secs Computing kpt #: 109 total cpu time spent up to now is 178.0 secs Computing kpt #: 110 total cpu time spent up to now is 179.4 secs Computing kpt #: 111 total cpu time spent up to now is 180.7 secs Computing kpt #: 112 total cpu time spent up to now is 181.9 secs Computing kpt #: 113 total cpu time spent up to now is 183.1 secs Computing kpt #: 114 total cpu time spent up to now is 184.2 secs Computing kpt #: 115 total cpu time spent up to now is 185.6 secs Computing kpt #: 116 total cpu time spent up to now is 187.5 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.6 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 191.8 secs Computing kpt #: 119 total cpu time spent up to now is 193.5 secs Computing kpt #: 120 total cpu time spent up to now is 195.0 secs Computing kpt #: 121 total cpu time spent up to now is 196.6 secs Computing kpt #: 122 total cpu time spent up to now is 198.3 secs Computing kpt #: 123 total cpu time spent up to now is 199.9 secs Computing kpt #: 124 total cpu time spent up to now is 201.8 secs Computing kpt #: 125 total cpu time spent up to now is 203.2 secs Computing kpt #: 126 total cpu time spent up to now is 204.5 secs Computing kpt #: 127 total cpu time spent up to now is 206.0 secs Computing kpt #: 128 total cpu time spent up to now is 207.6 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 209.7 secs Computing kpt #: 130 total cpu time spent up to now is 211.0 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.1 secs Computing kpt #: 132 total cpu time spent up to now is 215.2 secs Computing kpt #: 133 total cpu time spent up to now is 216.5 secs Computing kpt #: 134 total cpu time spent up to now is 217.9 secs Computing kpt #: 135 total cpu time spent up to now is 219.8 secs Computing kpt #: 136 total cpu time spent up to now is 221.0 secs Computing kpt #: 137 total cpu time spent up to now is 222.2 secs Computing kpt #: 138 total cpu time spent up to now is 224.0 secs Computing kpt #: 139 total cpu time spent up to now is 225.6 secs Computing kpt #: 140 total cpu time spent up to now is 227.2 secs Computing kpt #: 141 total cpu time spent up to now is 228.9 secs Computing kpt #: 142 total cpu time spent up to now is 230.9 secs Computing kpt #: 143 total cpu time spent up to now is 232.5 secs Computing kpt #: 144 total cpu time spent up to now is 234.4 secs Computing kpt #: 145 total cpu time spent up to now is 236.1 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.2 secs Computing kpt #: 147 total cpu time spent up to now is 239.7 secs Computing kpt #: 148 total cpu time spent up to now is 241.3 secs Computing kpt #: 149 total cpu time spent up to now is 242.4 secs Computing kpt #: 150 total cpu time spent up to now is 243.8 secs Computing kpt #: 151 total cpu time spent up to now is 245.0 secs Computing kpt #: 152 total cpu time spent up to now is 246.2 secs Computing kpt #: 153 total cpu time spent up to now is 247.4 secs Computing kpt #: 154 total cpu time spent up to now is 248.7 secs Computing kpt #: 155 total cpu time spent up to now is 250.2 secs Computing kpt #: 156 total cpu time spent up to now is 252.4 secs Computing kpt #: 157 total cpu time spent up to now is 253.7 secs Computing kpt #: 158 total cpu time spent up to now is 254.9 secs Computing kpt #: 159 total cpu time spent up to now is 256.0 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 258.2 secs Computing kpt #: 161 total cpu time spent up to now is 259.9 secs Computing kpt #: 162 total cpu time spent up to now is 261.7 secs Computing kpt #: 163 total cpu time spent up to now is 263.4 secs Computing kpt #: 164 total cpu time spent up to now is 265.2 secs Computing kpt #: 165 total cpu time spent up to now is 267.0 secs Computing kpt #: 166 total cpu time spent up to now is 268.8 secs Computing kpt #: 167 total cpu time spent up to now is 270.5 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 272.6 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.7 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.9 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.1 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.2 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.3 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.5 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.6 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.6 secs Computing kpt #: 177 total cpu time spent up to now is 291.5 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.5 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 295.7 secs Computing kpt #: 180 total cpu time spent up to now is 297.4 secs Computing kpt #: 181 total cpu time spent up to now is 299.0 secs Computing kpt #: 182 total cpu time spent up to now is 300.7 secs Computing kpt #: 183 total cpu time spent up to now is 301.9 secs Computing kpt #: 184 total cpu time spent up to now is 303.1 secs Computing kpt #: 185 total cpu time spent up to now is 304.3 secs Computing kpt #: 186 total cpu time spent up to now is 305.7 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.9 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.0 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.1 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.2 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.3 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.4 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.6 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 322.6 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 324.7 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 326.9 secs Computing kpt #: 197 total cpu time spent up to now is 328.1 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.2 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 332.3 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 334.3 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.3 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.4 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 340.5 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.7 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 344.7 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 346.8 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.9 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.0 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 353.1 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.2 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 357.4 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 359.5 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 361.7 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.7 secs Computing kpt #: 215 total cpu time spent up to now is 365.0 secs Computing kpt #: 216 total cpu time spent up to now is 366.2 secs Computing kpt #: 217 total cpu time spent up to now is 367.6 secs Computing kpt #: 218 total cpu time spent up to now is 368.6 secs Computing kpt #: 219 total cpu time spent up to now is 369.8 secs Computing kpt #: 220 total cpu time spent up to now is 370.9 secs Computing kpt #: 221 total cpu time spent up to now is 372.1 secs Computing kpt #: 222 total cpu time spent up to now is 373.3 secs Computing kpt #: 223 total cpu time spent up to now is 374.3 secs Computing kpt #: 224 total cpu time spent up to now is 375.4 secs Computing kpt #: 225 total cpu time spent up to now is 376.6 secs Computing kpt #: 226 total cpu time spent up to now is 377.7 secs Computing kpt #: 227 total cpu time spent up to now is 378.8 secs Computing kpt #: 228 total cpu time spent up to now is 379.8 secs Computing kpt #: 229 total cpu time spent up to now is 380.9 secs Computing kpt #: 230 total cpu time spent up to now is 382.0 secs Computing kpt #: 231 total cpu time spent up to now is 383.0 secs Computing kpt #: 232 total cpu time spent up to now is 384.2 secs Computing kpt #: 233 total cpu time spent up to now is 385.4 secs Computing kpt #: 234 total cpu time spent up to now is 386.5 secs Computing kpt #: 235 total cpu time spent up to now is 387.6 secs Computing kpt #: 236 total cpu time spent up to now is 388.7 secs Computing kpt #: 237 total cpu time spent up to now is 390.0 secs Computing kpt #: 238 total cpu time spent up to now is 391.4 secs Computing kpt #: 239 total cpu time spent up to now is 392.6 secs Computing kpt #: 240 total cpu time spent up to now is 394.1 secs Computing kpt #: 241 total cpu time spent up to now is 395.5 secs Computing kpt #: 242 total cpu time spent up to now is 396.8 secs Computing kpt #: 243 total cpu time spent up to now is 398.0 secs Computing kpt #: 244 total cpu time spent up to now is 399.2 secs Computing kpt #: 245 total cpu time spent up to now is 400.4 secs Computing kpt #: 246 total cpu time spent up to now is 401.7 secs Computing kpt #: 247 total cpu time spent up to now is 403.0 secs Computing kpt #: 248 total cpu time spent up to now is 404.2 secs Computing kpt #: 249 total cpu time spent up to now is 405.6 secs Computing kpt #: 250 total cpu time spent up to now is 407.0 secs Computing kpt #: 251 total cpu time spent up to now is 408.3 secs Computing kpt #: 252 total cpu time spent up to now is 409.6 secs Computing kpt #: 253 total cpu time spent up to now is 410.8 secs Computing kpt #: 254 total cpu time spent up to now is 411.9 secs Computing kpt #: 255 total cpu time spent up to now is 413.1 secs Computing kpt #: 256 total cpu time spent up to now is 414.1 secs Computing kpt #: 257 total cpu time spent up to now is 415.3 secs Computing kpt #: 258 total cpu time spent up to now is 416.5 secs Computing kpt #: 259 total cpu time spent up to now is 417.7 secs Computing kpt #: 260 total cpu time spent up to now is 418.9 secs Computing kpt #: 261 total cpu time spent up to now is 420.1 secs Computing kpt #: 262 total cpu time spent up to now is 421.3 secs Computing kpt #: 263 total cpu time spent up to now is 422.3 secs Computing kpt #: 264 total cpu time spent up to now is 423.6 secs Computing kpt #: 265 total cpu time spent up to now is 424.9 secs Computing kpt #: 266 total cpu time spent up to now is 426.2 secs Computing kpt #: 267 total cpu time spent up to now is 427.5 secs Computing kpt #: 268 total cpu time spent up to now is 428.7 secs Computing kpt #: 269 total cpu time spent up to now is 429.7 secs Computing kpt #: 270 total cpu time spent up to now is 431.0 secs Computing kpt #: 271 total cpu time spent up to now is 432.3 secs Computing kpt #: 272 total cpu time spent up to now is 433.6 secs Computing kpt #: 273 total cpu time spent up to now is 434.8 secs Computing kpt #: 274 total cpu time spent up to now is 435.9 secs Computing kpt #: 275 total cpu time spent up to now is 437.0 secs Computing kpt #: 276 total cpu time spent up to now is 438.5 secs Computing kpt #: 277 total cpu time spent up to now is 439.8 secs Computing kpt #: 278 total cpu time spent up to now is 441.3 secs Computing kpt #: 279 total cpu time spent up to now is 442.8 secs Computing kpt #: 280 total cpu time spent up to now is 444.4 secs Computing kpt #: 281 total cpu time spent up to now is 445.9 secs Computing kpt #: 282 total cpu time spent up to now is 447.7 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 449.9 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 452.1 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 454.2 secs Computing kpt #: 286 total cpu time spent up to now is 456.0 secs Computing kpt #: 287 total cpu time spent up to now is 457.3 secs Computing kpt #: 288 total cpu time spent up to now is 458.4 secs Computing kpt #: 289 total cpu time spent up to now is 459.5 secs Computing kpt #: 290 total cpu time spent up to now is 460.8 secs Computing kpt #: 291 total cpu time spent up to now is 462.4 secs Computing kpt #: 292 total cpu time spent up to now is 463.9 secs Computing kpt #: 293 total cpu time spent up to now is 465.9 secs Computing kpt #: 294 total cpu time spent up to now is 467.4 secs Computing kpt #: 295 total cpu time spent up to now is 469.0 secs Computing kpt #: 296 total cpu time spent up to now is 471.1 secs Computing kpt #: 297 total cpu time spent up to now is 473.2 secs Computing kpt #: 298 total cpu time spent up to now is 475.1 secs Computing kpt #: 299 total cpu time spent up to now is 476.6 secs Computing kpt #: 300 total cpu time spent up to now is 478.1 secs Computing kpt #: 301 total cpu time spent up to now is 479.5 secs Computing kpt #: 302 total cpu time spent up to now is 481.4 secs Computing kpt #: 303 total cpu time spent up to now is 482.9 secs Computing kpt #: 304 total cpu time spent up to now is 484.2 secs Computing kpt #: 305 total cpu time spent up to now is 485.4 secs Computing kpt #: 306 total cpu time spent up to now is 486.7 secs Computing kpt #: 307 total cpu time spent up to now is 488.1 secs Computing kpt #: 308 total cpu time spent up to now is 489.3 secs Computing kpt #: 309 total cpu time spent up to now is 490.4 secs Computing kpt #: 310 total cpu time spent up to now is 491.7 secs Computing kpt #: 311 total cpu time spent up to now is 492.8 secs Computing kpt #: 312 total cpu time spent up to now is 494.1 secs Computing kpt #: 313 total cpu time spent up to now is 495.2 secs Computing kpt #: 314 total cpu time spent up to now is 496.5 secs Computing kpt #: 315 total cpu time spent up to now is 497.6 secs Computing kpt #: 316 total cpu time spent up to now is 498.7 secs Computing kpt #: 317 total cpu time spent up to now is 499.9 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 502.0 secs Computing kpt #: 319 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.0 secs Computing kpt #: 320 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 506.1 secs Computing kpt #: 321 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 508.1 secs Computing kpt #: 322 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 510.2 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 512.4 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 514.4 secs Computing kpt #: 325 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 516.7 secs Computing kpt #: 326 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 518.7 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 520.9 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 523.0 secs Computing kpt #: 329 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 525.2 secs Computing kpt #: 330 total cpu time spent up to now is 527.0 secs Computing kpt #: 331 total cpu time spent up to now is 529.0 secs Computing kpt #: 332 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 531.4 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 533.5 secs Computing kpt #: 334 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 535.7 secs Computing kpt #: 335 total cpu time spent up to now is 537.4 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 539.6 secs Computing kpt #: 337 total cpu time spent up to now is 541.4 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 543.5 secs Computing kpt #: 339 total cpu time spent up to now is 545.3 secs Computing kpt #: 340 total cpu time spent up to now is 546.9 secs Computing kpt #: 341 total cpu time spent up to now is 548.1 secs Computing kpt #: 342 total cpu time spent up to now is 549.3 secs Computing kpt #: 343 total cpu time spent up to now is 550.6 secs Computing kpt #: 344 total cpu time spent up to now is 551.8 secs Computing kpt #: 345 total cpu time spent up to now is 553.2 secs Computing kpt #: 346 total cpu time spent up to now is 554.2 secs Computing kpt #: 347 total cpu time spent up to now is 555.4 secs Computing kpt #: 348 total cpu time spent up to now is 556.5 secs Computing kpt #: 349 total cpu time spent up to now is 557.7 secs Computing kpt #: 350 total cpu time spent up to now is 558.7 secs Computing kpt #: 351 total cpu time spent up to now is 559.8 secs Computing kpt #: 352 total cpu time spent up to now is 560.9 secs Computing kpt #: 353 total cpu time spent up to now is 562.1 secs Computing kpt #: 354 total cpu time spent up to now is 563.1 secs Computing kpt #: 355 total cpu time spent up to now is 564.2 secs Computing kpt #: 356 total cpu time spent up to now is 565.4 secs Computing kpt #: 357 total cpu time spent up to now is 566.4 secs Computing kpt #: 358 total cpu time spent up to now is 567.6 secs Computing kpt #: 359 total cpu time spent up to now is 568.7 secs Computing kpt #: 360 total cpu time spent up to now is 569.7 secs Computing kpt #: 361 total cpu time spent up to now is 570.8 secs Computing kpt #: 362 total cpu time spent up to now is 572.0 secs Computing kpt #: 363 total cpu time spent up to now is 573.2 secs Computing kpt #: 364 total cpu time spent up to now is 574.3 secs Computing kpt #: 365 total cpu time spent up to now is 575.3 secs Computing kpt #: 366 total cpu time spent up to now is 576.4 secs Computing kpt #: 367 total cpu time spent up to now is 577.5 secs Computing kpt #: 368 total cpu time spent up to now is 578.6 secs ethr = 2.08E-08, avg # of iterations = 73.9 total cpu time spent up to now is 578.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6015 PWs) bands (ev): -36.6577 -36.6577 -36.6563 -36.6563 -17.9535 -17.9535 -17.9196 -17.9196 -17.6009 -17.6009 -17.5535 -17.5535 -17.5494 -17.5494 -17.5337 -17.5337 -11.3156 -11.3156 -10.9226 -10.9226 -10.8102 -10.8102 -10.7961 -10.7961 -0.9415 -0.9415 -0.0305 -0.0305 0.0485 0.0485 0.3474 0.3474 0.5760 0.5760 0.5801 0.5801 0.6145 0.6145 0.6670 0.6670 1.3152 1.3152 1.5792 1.5792 1.6499 1.6499 1.7511 1.7511 7.1459 7.1459 7.3384 7.3384 7.7576 7.7576 8.0080 8.0080 8.1415 8.1415 k = 0.0132-0.0000-0.0000 ( 6015 PWs) bands (ev): -36.6577 -36.6577 -36.6563 -36.6563 -17.9535 -17.9535 -17.9196 -17.9196 -17.6009 -17.6009 -17.5535 -17.5535 -17.5495 -17.5495 -17.5338 -17.5338 -11.3152 -11.3152 -10.9225 -10.9225 -10.8103 -10.8103 -10.7962 -10.7962 -0.9406 -0.9406 -0.0301 -0.0301 0.0491 0.0491 0.3462 0.3462 0.5729 0.5729 0.5825 0.5825 0.6115 0.6115 0.6704 0.6704 1.3129 1.3129 1.5785 1.5785 1.6493 1.6493 1.7505 1.7505 7.1481 7.1481 7.3422 7.3422 7.7589 7.7589 8.0067 8.0067 8.1410 8.1411 k = 0.0263-0.0000-0.0000 ( 6015 PWs) bands (ev): -36.6577 -36.6577 -36.6563 -36.6563 -17.9535 -17.9535 -17.9197 -17.9197 -17.6007 -17.6007 -17.5538 -17.5538 -17.5495 -17.5495 -17.5341 -17.5341 -11.3138 -11.3138 -10.9221 -10.9221 -10.8106 -10.8106 -10.7965 -10.7965 -0.9381 -0.9381 -0.0292 -0.0292 0.0509 0.0509 0.3427 0.3427 0.5664 0.5664 0.5869 0.5869 0.6042 0.6042 0.6790 0.6790 1.3058 1.3058 1.5761 1.5761 1.6472 1.6472 1.7488 1.7488 7.1546 7.1546 7.3536 7.3536 7.7628 7.7628 8.0028 8.0028 8.1398 8.1400 k = 0.0395-0.0000-0.0000 ( 6007 PWs) bands (ev): -36.6577 -36.6577 -36.6563 -36.6563 -17.9535 -17.9535 -17.9199 -17.9199 -17.6005 -17.6005 -17.5541 -17.5541 -17.5495 -17.5495 -17.5346 -17.5346 -11.3116 -11.3116 -10.9214 -10.9214 -10.8110 -10.8110 -10.7970 -10.7970 -0.9339 -0.9339 -0.0275 -0.0275 0.0540 0.0540 0.3373 0.3373 0.5573 0.5573 0.5907 0.5907 0.5970 0.5970 0.6900 0.6900 1.2941 1.2941 1.5722 1.5722 1.6438 1.6438 1.7458 1.7458 7.1654 7.1654 7.3723 7.3723 7.7694 7.7694 7.9967 7.9967 8.1378 8.1399 k = 0.0526-0.0000-0.0000 ( 6007 PWs) bands (ev): -36.6576 -36.6576 -36.6563 -36.6563 -17.9535 -17.9535 -17.9201 -17.9201 -17.6001 -17.6001 -17.5547 -17.5547 -17.5496 -17.5496 -17.5353 -17.5353 -11.3085 -11.3085 -10.9205 -10.9205 -10.8117 -10.8117 -10.7978 -10.7978 -0.9281 -0.9281 -0.0254 -0.0254 0.0584 0.0584 0.3301 0.3301 0.5460 0.5460 0.5820 0.5820 0.6024 0.6024 0.7021 0.7021 1.2779 1.2779 1.5669 1.5669 1.6390 1.6390 1.7416 1.7416 7.1804 7.1804 7.3981 7.3981 7.7787 7.7787 7.9887 7.9887 8.1349 8.1411 k = 0.0658-0.0000-0.0000 ( 6001 PWs) bands (ev): -36.6576 -36.6576 -36.6563 -36.6563 -17.9535 -17.9535 -17.9205 -17.9205 -17.5997 -17.5997 -17.5554 -17.5554 -17.5496 -17.5496 -17.5361 -17.5361 -11.3045 -11.3045 -10.9194 -10.9194 -10.8125 -10.8125 -10.7987 -10.7987 -0.9207 -0.9207 -0.0226 -0.0226 0.0640 0.0640 0.3217 0.3217 0.5330 0.5330 0.5697 0.5697 0.6115 0.6115 0.7144 0.7144 1.2573 1.2573 1.5601 1.5601 1.6330 1.6330 1.7363 1.7363 7.1993 7.1993 7.4307 7.4307 7.7908 7.7908 7.9794 7.9794 8.1310 8.1332 k = 0.0789-0.0000-0.0000 ( 6009 PWs) bands (ev): -36.6575 -36.6575 -36.6562 -36.6562 -17.9535 -17.9535 -17.9209 -17.9209 -17.5992 -17.5992 -17.5563 -17.5563 -17.5497 -17.5497 -17.5372 -17.5372 -11.2997 -11.2997 -10.9180 -10.9180 -10.8135 -10.8135 -10.7999 -10.7999 -0.9116 -0.9116 -0.0195 -0.0195 0.0710 0.0710 0.3124 0.3124 0.5187 0.5187 0.5560 0.5560 0.6219 0.6219 0.7267 0.7267 1.2325 1.2325 1.5520 1.5520 1.6256 1.6256 1.7297 1.7297 7.2220 7.2220 7.4694 7.4694 7.8057 7.8057 7.9692 7.9692 8.1224 8.1229 k = 0.0921-0.0000-0.0000 ( 6003 PWs) bands (ev): -36.6575 -36.6575 -36.6562 -36.6562 -17.9535 -17.9535 -17.9214 -17.9214 -17.5985 -17.5985 -17.5573 -17.5573 -17.5497 -17.5497 -17.5385 -17.5385 -11.2941 -11.2941 -10.9164 -10.9164 -10.8147 -10.8147 -10.8012 -10.8012 -0.9010 -0.9010 -0.0160 -0.0160 0.0794 0.0794 0.3025 0.3025 0.5033 0.5033 0.5412 0.5412 0.6331 0.6331 0.7386 0.7386 1.2038 1.2038 1.5427 1.5427 1.6170 1.6170 1.7219 1.7219 7.2482 7.2482 7.5137 7.5137 7.8237 7.8237 7.9588 7.9588 8.1113 8.1114 k = 0.1053-0.0000-0.0000 ( 6007 PWs) bands (ev): -36.6574 -36.6574 -36.6561 -36.6561 -17.9536 -17.9536 -17.9219 -17.9219 -17.5978 -17.5978 -17.5585 -17.5585 -17.5496 -17.5496 -17.5399 -17.5399 -11.2877 -11.2877 -10.9147 -10.9147 -10.8161 -10.8161 -10.8027 -10.8027 -0.8889 -0.8889 -0.0122 -0.0122 0.0891 0.0891 0.2923 0.2923 0.4867 0.4867 0.5259 0.5259 0.6449 0.6449 0.7500 0.7500 1.1715 1.1715 1.5322 1.5322 1.6071 1.6071 1.7129 1.7129 7.2777 7.2777 7.5625 7.5625 7.8452 7.8452 7.9486 7.9486 8.0998 8.0999 k = 0.1184-0.0000-0.0000 ( 6019 PWs) bands (ev): -36.6573 -36.6573 -36.6561 -36.6561 -17.9536 -17.9536 -17.9226 -17.9226 -17.5971 -17.5971 -17.5599 -17.5599 -17.5496 -17.5496 -17.5415 -17.5415 -11.2805 -11.2805 -10.9128 -10.9128 -10.8175 -10.8175 -10.8044 -10.8044 -0.8752 -0.8752 -0.0082 -0.0082 0.1001 0.1001 0.2820 0.2820 0.4688 0.4688 0.5106 0.5106 0.6569 0.6569 0.7607 0.7607 1.1358 1.1358 1.5207 1.5207 1.5961 1.5961 1.7026 1.7026 7.3102 7.3102 7.6146 7.6146 7.8705 7.8705 7.9391 7.9391 8.0888 8.0888 k = 0.1316-0.0000-0.0000 ( 6001 PWs) bands (ev): -36.6573 -36.6573 -36.6560 -36.6560 -17.9537 -17.9537 -17.9233 -17.9233 -17.5962 -17.5962 -17.5613 -17.5613 -17.5496 -17.5496 -17.5432 -17.5432 -11.2725 -11.2725 -10.9107 -10.9107 -10.8192 -10.8192 -10.8062 -10.8062 -0.8601 -0.8601 -0.0040 -0.0040 0.1125 0.1125 0.2719 0.2719 0.4494 0.4494 0.4958 0.4958 0.6691 0.6691 0.7707 0.7707 1.0971 1.0971 1.5082 1.5082 1.5840 1.5840 1.6911 1.6911 7.3453 7.3453 7.6682 7.6682 7.9004 7.9004 7.9308 7.9308 8.0787 8.0787 k = 0.1447-0.0000-0.0000 ( 5987 PWs) bands (ev): -36.6572 -36.6572 -36.6559 -36.6559 -17.9537 -17.9537 -17.9240 -17.9240 -17.5952 -17.5952 -17.5629 -17.5629 -17.5495 -17.5495 -17.5450 -17.5450 -11.2639 -11.2639 -10.9086 -10.9086 -10.8209 -10.8209 -10.8082 -10.8082 -0.8436 -0.8436 0.0001 0.0001 0.1262 0.1262 0.2620 0.2620 0.4285 0.4285 0.4819 0.4819 0.6812 0.6812 0.7797 0.7797 1.0558 1.0558 1.4947 1.4947 1.5708 1.5708 1.6783 1.6783 7.3828 7.3828 7.7211 7.7211 7.9235 7.9235 7.9361 7.9361 8.0697 8.0698 k = 0.1579-0.0000-0.0000 ( 5993 PWs) bands (ev): -36.6571 -36.6571 -36.6559 -36.6559 -17.9538 -17.9538 -17.9248 -17.9248 -17.5942 -17.5942 -17.5646 -17.5646 -17.5495 -17.5495 -17.5469 -17.5469 -11.2546 -11.2546 -10.9064 -10.9064 -10.8228 -10.8228 -10.8104 -10.8104 -0.8258 -0.8258 0.0043 0.0043 0.1412 0.1412 0.2525 0.2525 0.4063 0.4063 0.4691 0.4691 0.6931 0.6931 0.7877 0.7877 1.0121 1.0121 1.4805 1.4805 1.5567 1.5567 1.6642 1.6642 7.4222 7.4222 7.7707 7.7707 7.9184 7.9184 7.9765 7.9765 8.0622 8.0622 k = 0.1711-0.0000-0.0000 ( 5987 PWs) bands (ev): -36.6570 -36.6570 -36.6558 -36.6558 -17.9538 -17.9538 -17.9257 -17.9257 -17.5931 -17.5931 -17.5663 -17.5663 -17.5498 -17.5498 -17.5486 -17.5486 -11.2447 -11.2447 -10.9042 -10.9042 -10.8247 -10.8247 -10.8126 -10.8126 -0.8067 -0.8067 0.0084 0.0084 0.1572 0.1572 0.2434 0.2434 0.3833 0.3833 0.4573 0.4573 0.7046 0.7046 0.7947 0.7947 0.9667 0.9667 1.4657 1.4657 1.5417 1.5417 1.6490 1.6490 7.4633 7.4633 7.8147 7.8147 7.9150 7.9150 8.0191 8.0192 8.0564 8.0564 k = 0.1842-0.0000-0.0000 ( 5983 PWs) bands (ev): -36.6569 -36.6569 -36.6557 -36.6557 -17.9539 -17.9539 -17.9267 -17.9267 -17.5919 -17.5919 -17.5681 -17.5681 -17.5514 -17.5514 -17.5491 -17.5491 -11.2343 -11.2343 -10.9020 -10.9020 -10.8268 -10.8268 -10.8150 -10.8150 -0.7863 -0.7863 0.0123 0.0123 0.1742 0.1742 0.2347 0.2347 0.3600 0.3600 0.4466 0.4466 0.7158 0.7158 0.8002 0.8002 0.9198 0.9198 1.4502 1.4502 1.5259 1.5259 1.6324 1.6324 7.5056 7.5056 7.8521 7.8521 7.9136 7.9136 8.0525 8.0525 8.0553 8.0553 k = 0.1974-0.0000-0.0000 ( 5999 PWs) bands (ev): -36.6568 -36.6568 -36.6557 -36.6557 -17.9540 -17.9540 -17.9277 -17.9277 -17.5908 -17.5908 -17.5700 -17.5700 -17.5535 -17.5535 -17.5492 -17.5492 -11.2233 -11.2233 -10.8998 -10.8998 -10.8289 -10.8289 -10.8174 -10.8174 -0.7649 -0.7649 0.0159 0.0159 0.1915 0.1915 0.2265 0.2265 0.3374 0.3374 0.4370 0.4370 0.7264 0.7264 0.8040 0.8040 0.8722 0.8722 1.4344 1.4344 1.5094 1.5094 1.6146 1.6146 7.5489 7.5489 7.8824 7.8824 7.9141 7.9141 8.0503 8.0503 8.0806 8.0806 k = 0.2105-0.0000-0.0000 ( 6007 PWs) bands (ev): -36.6567 -36.6567 -36.6556 -36.6556 -17.9542 -17.9542 -17.9288 -17.9288 -17.5895 -17.5895 -17.5719 -17.5719 -17.5558 -17.5558 -17.5492 -17.5492 -11.2118 -11.2118 -10.8978 -10.8978 -10.8311 -10.8311 -10.8200 -10.8200 -0.7424 -0.7424 0.0193 0.0193 0.2080 0.2080 0.2185 0.2185 0.3172 0.3172 0.4285 0.4285 0.7364 0.7364 0.8017 0.8017 0.8286 0.8286 1.4183 1.4183 1.4924 1.4924 1.5956 1.5956 7.5930 7.5930 7.9058 7.9058 7.9168 7.9168 8.0502 8.0502 8.1020 8.1020 k = 0.2237-0.0000-0.0000 ( 6005 PWs) bands (ev): -36.6566 -36.6566 -36.6555 -36.6555 -17.9543 -17.9543 -17.9299 -17.9299 -17.5883 -17.5883 -17.5738 -17.5738 -17.5580 -17.5580 -17.5492 -17.5492 -11.1999 -11.1999 -10.8958 -10.8958 -10.8333 -10.8333 -10.8226 -10.8226 -0.7189 -0.7189 0.0223 0.0223 0.2093 0.2093 0.2221 0.2221 0.3027 0.3027 0.4209 0.4209 0.7454 0.7454 0.7672 0.7672 0.8154 0.8154 1.4021 1.4021 1.4749 1.4749 1.5754 1.5754 7.6375 7.6375 7.9213 7.9213 7.9230 7.9230 8.0519 8.0519 8.1255 8.1255 k = 0.2368-0.0000-0.0000 ( 5995 PWs) bands (ev): -36.6564 -36.6564 -36.6554 -36.6554 -17.9544 -17.9544 -17.9310 -17.9310 -17.5869 -17.5869 -17.5757 -17.5757 -17.5603 -17.5603 -17.5492 -17.5492 -11.1876 -11.1876 -10.8941 -10.8941 -10.8355 -10.8355 -10.8252 -10.8252 -0.6945 -0.6945 0.0249 0.0249 0.1989 0.1989 0.2279 0.2279 0.3001 0.3001 0.4145 0.4145 0.7180 0.7180 0.7543 0.7543 0.8145 0.8145 1.3859 1.3859 1.4572 1.4572 1.5539 1.5539 7.6822 7.6822 7.9279 7.9279 7.9347 7.9347 8.0554 8.0554 8.1531 8.1531 k = 0.2500-0.0000-0.0000 ( 5993 PWs) bands (ev): -36.6563 -36.6563 -36.6553 -36.6553 -17.9545 -17.9545 -17.9322 -17.9322 -17.5856 -17.5856 -17.5775 -17.5775 -17.5626 -17.5626 -17.5492 -17.5492 -11.1751 -11.1751 -10.8925 -10.8925 -10.8378 -10.8378 -10.8279 -10.8279 -0.6693 -0.6693 0.0270 0.0270 0.1852 0.1852 0.2258 0.2258 0.3110 0.3110 0.4092 0.4092 0.6682 0.6682 0.7615 0.7615 0.8135 0.8135 1.3699 1.3699 1.4393 1.4393 1.5313 1.5313 7.7267 7.7267 7.9363 7.9363 7.9426 7.9426 8.0606 8.0606 8.1849 8.1849 k = 0.2632-0.0000-0.0000 ( 5989 PWs) bands (ev): -36.6562 -36.6562 -36.6552 -36.6552 -17.9546 -17.9546 -17.9334 -17.9334 -17.5843 -17.5843 -17.5793 -17.5793 -17.5648 -17.5648 -17.5492 -17.5492 -11.1622 -11.1622 -10.8913 -10.8913 -10.8400 -10.8400 -10.8306 -10.8306 -0.6433 -0.6433 0.0285 0.0285 0.1680 0.1680 0.2219 0.2219 0.3298 0.3298 0.4053 0.4053 0.6182 0.6182 0.7677 0.7677 0.8115 0.8115 1.3543 1.3543 1.4215 1.4215 1.5075 1.5075 7.7710 7.7710 7.9460 7.9460 7.9483 7.9483 8.0674 8.0674 8.2200 8.2200 k = 0.2763-0.0000-0.0000 ( 5997 PWs) bands (ev): -36.6561 -36.6561 -36.6552 -36.6552 -17.9548 -17.9548 -17.9347 -17.9347 -17.5832 -17.5832 -17.5809 -17.5809 -17.5670 -17.5670 -17.5493 -17.5493 -11.1492 -11.1492 -10.8903 -10.8903 -10.8423 -10.8423 -10.8332 -10.8332 -0.6168 -0.6168 0.0294 0.0294 0.1486 0.1486 0.2191 0.2191 0.3517 0.3517 0.4033 0.4033 0.5686 0.5686 0.7726 0.7726 0.8085 0.8085 1.3392 1.3392 1.4038 1.4038 1.4825 1.4825 7.8149 7.8149 7.9517 7.9517 7.9583 7.9583 8.0754 8.0754 8.2576 8.2576 k = 0.2895-0.0000-0.0000 ( 5997 PWs) bands (ev): -36.6560 -36.6560 -36.6551 -36.6551 -17.9549 -17.9549 -17.9360 -17.9360 -17.5834 -17.5834 -17.5813 -17.5813 -17.5690 -17.5690 -17.5495 -17.5495 -11.1360 -11.1360 -10.8896 -10.8896 -10.8444 -10.8444 -10.8359 -10.8359 -0.5897 -0.5897 0.0296 0.0296 0.1283 0.1283 0.2179 0.2179 0.3720 0.3720 0.4061 0.4061 0.5196 0.5196 0.7756 0.7756 0.8049 0.8049 1.3247 1.3247 1.3865 1.3865 1.4565 1.4565 7.8581 7.8581 7.9554 7.9554 7.9712 7.9712 8.0845 8.0845 8.2970 8.2970 k = 0.3026-0.0000-0.0000 ( 5991 PWs) bands (ev): -36.6559 -36.6559 -36.6550 -36.6550 -17.9550 -17.9550 -17.9372 -17.9372 -17.5848 -17.5848 -17.5805 -17.5805 -17.5708 -17.5708 -17.5496 -17.5496 -11.1227 -11.1227 -10.8893 -10.8893 -10.8466 -10.8466 -10.8385 -10.8385 -0.5622 -0.5622 0.0290 0.0290 0.1083 0.1083 0.2183 0.2183 0.3827 0.3827 0.4208 0.4208 0.4717 0.4717 0.7763 0.7763 0.8012 0.8012 1.3110 1.3110 1.3697 1.3697 1.4295 1.4295 7.9007 7.9007 7.9591 7.9591 7.9853 7.9853 8.0946 8.0946 8.3375 8.3375 k = 0.3158-0.0000-0.0000 ( 5985 PWs) bands (ev): -36.6558 -36.6558 -36.6549 -36.6549 -17.9551 -17.9551 -17.9385 -17.9385 -17.5863 -17.5863 -17.5799 -17.5799 -17.5721 -17.5721 -17.5498 -17.5498 -11.1094 -11.1094 -10.8894 -10.8894 -10.8486 -10.8486 -10.8410 -10.8410 -0.5343 -0.5343 0.0275 0.0275 0.0891 0.0891 0.2200 0.2200 0.3849 0.3849 0.4250 0.4250 0.4458 0.4458 0.7740 0.7740 0.7980 0.7980 1.2982 1.2982 1.3536 1.3536 1.4015 1.4015 7.9423 7.9423 7.9634 7.9634 8.0005 8.0005 8.1052 8.1052 8.3784 8.3784 k = 0.3289-0.0000-0.0000 ( 5983 PWs) bands (ev): -36.6557 -36.6557 -36.6549 -36.6549 -17.9552 -17.9552 -17.9398 -17.9398 -17.5877 -17.5877 -17.5800 -17.5800 -17.5726 -17.5726 -17.5500 -17.5500 -11.0961 -11.0961 -10.8900 -10.8900 -10.8506 -10.8506 -10.8435 -10.8435 -0.5061 -0.5061 0.0252 0.0252 0.0710 0.0710 0.2230 0.2230 0.3755 0.3755 0.3892 0.3892 0.4745 0.4745 0.7687 0.7687 0.7955 0.7955 1.2863 1.2863 1.3381 1.3381 1.3727 1.3727 7.9684 7.9684 7.9829 7.9829 8.0165 8.0165 8.1163 8.1163 8.4189 8.4189 k = 0.3421-0.0000-0.0000 ( 5989 PWs) bands (ev): -36.6556 -36.6556 -36.6548 -36.6548 -17.9553 -17.9553 -17.9410 -17.9410 -17.5891 -17.5891 -17.5809 -17.5809 -17.5723 -17.5723 -17.5503 -17.5503 -11.0829 -11.0829 -10.8910 -10.8910 -10.8525 -10.8525 -10.8459 -10.8459 -0.4778 -0.4778 0.0219 0.0219 0.0544 0.0544 0.2272 0.2272 0.3338 0.3338 0.3868 0.3868 0.5051 0.5051 0.7613 0.7613 0.7930 0.7930 1.2754 1.2754 1.3227 1.3227 1.3438 1.3438 7.9747 7.9747 8.0214 8.0214 8.0339 8.0339 8.1274 8.1274 8.4579 8.4579 k = 0.3553-0.0000-0.0000 ( 5989 PWs) bands (ev): -36.6555 -36.6555 -36.6547 -36.6547 -17.9554 -17.9554 -17.9423 -17.9423 -17.5903 -17.5903 -17.5822 -17.5822 -17.5714 -17.5714 -17.5507 -17.5507 -11.0698 -11.0698 -10.8926 -10.8926 -10.8542 -10.8542 -10.8481 -10.8481 -0.4494 -0.4494 0.0174 0.0174 0.0395 0.0395 0.2323 0.2323 0.2918 0.2918 0.3865 0.3865 0.5369 0.5369 0.7527 0.7527 0.7899 0.7899 1.2656 1.2656 1.3039 1.3039 1.3184 1.3184 7.9821 7.9821 8.0471 8.0471 8.0633 8.0633 8.1384 8.1384 8.4939 8.4940 k = 0.3684-0.0000-0.0000 ( 5985 PWs) bands (ev): -36.6554 -36.6554 -36.6547 -36.6547 -17.9554 -17.9554 -17.9435 -17.9435 -17.5915 -17.5915 -17.5837 -17.5837 -17.5703 -17.5703 -17.5511 -17.5511 -11.0569 -11.0569 -10.8946 -10.8946 -10.8559 -10.8559 -10.8503 -10.8503 -0.4210 -0.4210 0.0119 0.0119 0.0264 0.0264 0.2367 0.2367 0.2533 0.2533 0.3862 0.3862 0.5697 0.5697 0.7436 0.7436 0.7859 0.7859 1.2569 1.2569 1.2760 1.2760 1.3024 1.3024 7.9910 7.9910 8.0643 8.0643 8.0996 8.0996 8.1493 8.1493 8.4874 8.4875 k = 0.3816-0.0000-0.0000 ( 5989 PWs) bands (ev): -36.6553 -36.6553 -36.6546 -36.6546 -17.9553 -17.9553 -17.9447 -17.9447 -17.5924 -17.5924 -17.5853 -17.5853 -17.5690 -17.5690 -17.5515 -17.5515 -11.0443 -11.0443 -10.8973 -10.8973 -10.8574 -10.8574 -10.8523 -10.8523 -0.3927 -0.3927 0.0050 0.0050 0.0152 0.0152 0.2108 0.2108 0.2481 0.2481 0.3857 0.3857 0.6032 0.6032 0.7345 0.7345 0.7808 0.7808 1.2440 1.2440 1.2498 1.2498 1.2905 1.2905 8.0013 8.0013 8.0807 8.0807 8.1341 8.1341 8.1602 8.1602 8.4573 8.4574 k = 0.3947-0.0000-0.0000 ( 5991 PWs) bands (ev): -36.6552 -36.6552 -36.6546 -36.6546 -17.9553 -17.9553 -17.9458 -17.9458 -17.5933 -17.5933 -17.5868 -17.5868 -17.5677 -17.5677 -17.5520 -17.5520 -11.0319 -11.0319 -10.9004 -10.9004 -10.8587 -10.8587 -10.8542 -10.8542 -0.3645 -0.3645 -0.0033 -0.0033 0.0059 0.0059 0.1752 0.1752 0.2559 0.2559 0.3848 0.3848 0.6373 0.6373 0.7259 0.7259 0.7748 0.7748 1.2111 1.2111 1.2434 1.2434 1.2803 1.2803 8.0131 8.0131 8.0965 8.0965 8.1606 8.1606 8.1762 8.1762 8.4284 8.4284 k = 0.4079-0.0000-0.0000 ( 5987 PWs) bands (ev): -36.6551 -36.6551 -36.6545 -36.6545 -17.9552 -17.9552 -17.9469 -17.9469 -17.5940 -17.5940 -17.5882 -17.5882 -17.5664 -17.5664 -17.5526 -17.5526 -11.0198 -11.0198 -10.9042 -10.9042 -10.8599 -10.8599 -10.8559 -10.8559 -0.3365 -0.3365 -0.0132 -0.0132 -0.0014 -0.0014 0.1418 0.1418 0.2650 0.2650 0.3832 0.3832 0.6718 0.6718 0.7182 0.7182 0.7680 0.7680 1.1773 1.1773 1.2383 1.2383 1.2712 1.2712 8.0265 8.0265 8.1116 8.1116 8.1722 8.1722 8.2029 8.2029 8.4023 8.4023 k = 0.4211-0.0000-0.0000 ( 5987 PWs) bands (ev): -36.6551 -36.6551 -36.6545 -36.6545 -17.9550 -17.9550 -17.9479 -17.9479 -17.5945 -17.5945 -17.5895 -17.5895 -17.5651 -17.5651 -17.5532 -17.5532 -11.0082 -11.0082 -10.9086 -10.9086 -10.8609 -10.8609 -10.8575 -10.8575 -0.3087 -0.3087 -0.0252 -0.0252 -0.0066 -0.0066 0.1114 0.1114 0.2748 0.2748 0.3806 0.3806 0.7060 0.7060 0.7123 0.7123 0.7609 0.7609 1.1427 1.1427 1.2345 1.2345 1.2632 1.2632 8.0414 8.0414 8.1259 8.1259 8.1793 8.1793 8.2271 8.2271 8.3816 8.3816 k = 0.4342-0.0000-0.0000 ( 5984 PWs) bands (ev): -36.6550 -36.6550 -36.6545 -36.6545 -17.9548 -17.9548 -17.9489 -17.9489 -17.5950 -17.5950 -17.5907 -17.5907 -17.5639 -17.5639 -17.5538 -17.5538 -10.9969 -10.9969 -10.9136 -10.9136 -10.8617 -10.8617 -10.8589 -10.8589 -0.2812 -0.2812 -0.0397 -0.0397 -0.0097 -0.0097 0.0846 0.0846 0.2853 0.2853 0.3769 0.3769 0.7069 0.7069 0.7374 0.7374 0.7577 0.7577 1.1077 1.1077 1.2318 1.2318 1.2562 1.2562 8.0578 8.0578 8.1391 8.1391 8.1844 8.1844 8.2411 8.2411 8.3714 8.3714 k = 0.4474-0.0000-0.0000 ( 5974 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9545 -17.9545 -17.9498 -17.9498 -17.5952 -17.5952 -17.5917 -17.5917 -17.5626 -17.5626 -17.5546 -17.5546 -10.9861 -10.9861 -10.9193 -10.9193 -10.8623 -10.8623 -10.8601 -10.8601 -0.2539 -0.2539 -0.0569 -0.0569 -0.0107 -0.0107 0.0617 0.0617 0.2962 0.2962 0.3719 0.3719 0.7041 0.7041 0.7401 0.7401 0.7825 0.7825 1.0721 1.0721 1.2301 1.2301 1.2500 1.2500 8.0756 8.0756 8.1510 8.1510 8.1877 8.1877 8.2401 8.2401 8.3767 8.3767 k = 0.4605-0.0000-0.0000 ( 5970 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9542 -17.9542 -17.9506 -17.9506 -17.5952 -17.5952 -17.5927 -17.5927 -17.5614 -17.5614 -17.5554 -17.5554 -10.9758 -10.9758 -10.9255 -10.9255 -10.8628 -10.8628 -10.8611 -10.8611 -0.2269 -0.2269 -0.0768 -0.0768 -0.0097 -0.0097 0.0428 0.0428 0.3072 0.3072 0.3656 0.3656 0.7033 0.7033 0.7328 0.7328 0.8177 0.8177 1.0362 1.0362 1.2296 1.2296 1.2447 1.2447 8.0949 8.0949 8.1616 8.1616 8.1891 8.1891 8.2266 8.2266 8.3946 8.3946 k = 0.4737-0.0000-0.0000 ( 5962 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9538 -17.9538 -17.9513 -17.9513 -17.5952 -17.5952 -17.5934 -17.5934 -17.5603 -17.5603 -17.5562 -17.5562 -10.9659 -10.9659 -10.9324 -10.9324 -10.8630 -10.8630 -10.8618 -10.8618 -0.2002 -0.2002 -0.0991 -0.0991 -0.0066 -0.0066 0.0275 0.0275 0.3183 0.3183 0.3580 0.3580 0.7044 0.7044 0.7252 0.7252 0.8539 0.8539 1.0000 1.0000 1.2299 1.2299 1.2401 1.2401 8.1153 8.1153 8.1704 8.1704 8.1882 8.1882 8.2074 8.2074 8.4190 8.4190 k = 0.4868-0.0000-0.0000 ( 5962 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9533 -17.9533 -17.9520 -17.9520 -17.5950 -17.5950 -17.5940 -17.5940 -17.5592 -17.5592 -17.5571 -17.5571 -10.9567 -10.9567 -10.9399 -10.9399 -10.8630 -10.8630 -10.8624 -10.8624 -0.1739 -0.1739 -0.1230 -0.1230 -0.0014 -0.0014 0.0154 0.0154 0.3292 0.3292 0.3493 0.3493 0.7074 0.7074 0.7182 0.7182 0.8904 0.8904 0.9635 0.9635 1.2312 1.2312 1.2363 1.2363 8.1368 8.1368 8.1756 8.1756 8.1824 8.1824 8.1912 8.1912 8.4458 8.4458 k = 0.5000-0.0000-0.0000 ( 5966 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9529 -17.9529 -17.9525 -17.9525 -17.5949 -17.5949 -17.5944 -17.5944 -17.5584 -17.5584 -17.5579 -17.5579 -10.9480 -10.9480 -10.9479 -10.9479 -10.8629 -10.8629 -10.8628 -10.8628 -0.1481 -0.1481 -0.1481 -0.1481 0.0057 0.0057 0.0059 0.0059 0.3396 0.3396 0.3397 0.3397 0.7121 0.7121 0.7121 0.7121 0.9270 0.9270 0.9270 0.9270 1.2334 1.2334 1.2334 1.2334 8.1585 8.1585 8.1588 8.1588 8.1849 8.1849 8.1852 8.1852 8.4731 8.4732 k = 0.5000-0.0000-0.0000 ( 5966 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9529 -17.9529 -17.9525 -17.9525 -17.5949 -17.5949 -17.5944 -17.5944 -17.5584 -17.5584 -17.5579 -17.5579 -10.9480 -10.9480 -10.9479 -10.9479 -10.8629 -10.8629 -10.8628 -10.8628 -0.1481 -0.1481 -0.1481 -0.1481 0.0057 0.0057 0.0059 0.0059 0.3396 0.3396 0.3397 0.3397 0.7121 0.7121 0.7121 0.7121 0.9270 0.9270 0.9270 0.9270 1.2334 1.2334 1.2334 1.2334 8.1585 8.1585 8.1588 8.1588 8.1849 8.1849 8.1852 8.1852 8.4730 8.4731 k = 0.5000 0.0129-0.0000 ( 5966 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9534 -17.9534 -17.9520 -17.9520 -17.5956 -17.5956 -17.5937 -17.5937 -17.5584 -17.5584 -17.5578 -17.5578 -10.9481 -10.9481 -10.9480 -10.9480 -10.8630 -10.8630 -10.8625 -10.8625 -0.1494 -0.1494 -0.1470 -0.1470 0.0051 0.0051 0.0057 0.0057 0.3369 0.3369 0.3419 0.3419 0.7098 0.7098 0.7133 0.7133 0.9254 0.9254 0.9313 0.9313 1.2333 1.2333 1.2338 1.2338 8.1433 8.1433 8.1509 8.1509 8.1898 8.1898 8.1991 8.1991 8.4746 8.4754 k = 0.5000 0.0259-0.0000 ( 5962 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9540 -17.9540 -17.9514 -17.9514 -17.5966 -17.5966 -17.5928 -17.5928 -17.5586 -17.5586 -17.5576 -17.5576 -10.9484 -10.9484 -10.9482 -10.9482 -10.8630 -10.8630 -10.8620 -10.8620 -0.1509 -0.1509 -0.1462 -0.1462 0.0038 0.0038 0.0049 0.0049 0.3337 0.3337 0.3436 0.3436 0.7065 0.7065 0.7135 0.7135 0.9267 0.9267 0.9381 0.9381 1.2337 1.2337 1.2347 1.2347 8.1219 8.1219 8.1296 8.1296 8.2043 8.2043 8.2151 8.2151 8.4811 8.4819 k = 0.5000 0.0388-0.0000 ( 5966 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9547 -17.9547 -17.9508 -17.9508 -17.5975 -17.5975 -17.5919 -17.5919 -17.5587 -17.5587 -17.5574 -17.5574 -10.9489 -10.9489 -10.9486 -10.9486 -10.8628 -10.8628 -10.8614 -10.8614 -0.1526 -0.1526 -0.1458 -0.1458 0.0018 0.0018 0.0034 0.0034 0.3303 0.3303 0.3447 0.3447 0.7022 0.7022 0.7125 0.7125 0.9305 0.9305 0.9471 0.9471 1.2345 1.2345 1.2362 1.2362 8.0979 8.0979 8.1050 8.1050 8.2184 8.2184 8.2297 8.2297 8.4916 8.4934 k = 0.5000 0.0518-0.0000 ( 5958 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9553 -17.9553 -17.9502 -17.9502 -17.5985 -17.5985 -17.5911 -17.5911 -17.5587 -17.5587 -17.5571 -17.5571 -10.9495 -10.9495 -10.9491 -10.9491 -10.8625 -10.8625 -10.8606 -10.8606 -0.1546 -0.1546 -0.1457 -0.1457 -0.0008 -0.0008 0.0012 0.0012 0.3269 0.3269 0.3454 0.3454 0.6972 0.6972 0.7107 0.7107 0.9366 0.9366 0.9578 0.9578 1.2359 1.2359 1.2382 1.2382 8.0723 8.0723 8.0786 8.0786 8.2315 8.2315 8.2429 8.2429 8.5059 8.5073 k = 0.5000 0.0647-0.0000 ( 5966 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9559 -17.9559 -17.9496 -17.9496 -17.5995 -17.5995 -17.5903 -17.5903 -17.5588 -17.5588 -17.5568 -17.5568 -10.9502 -10.9502 -10.9498 -10.9498 -10.8621 -10.8621 -10.8597 -10.8597 -0.1569 -0.1569 -0.1462 -0.1462 -0.0037 -0.0037 -0.0014 -0.0014 0.3235 0.3235 0.3459 0.3459 0.6914 0.6914 0.7079 0.7079 0.9445 0.9445 0.9698 0.9698 1.2380 1.2380 1.2411 1.2411 8.0455 8.0455 8.0510 8.0510 8.2436 8.2436 8.2548 8.2548 8.5231 8.5254 k = 0.5000 0.0777-0.0000 ( 5958 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9566 -17.9566 -17.9490 -17.9490 -17.6005 -17.6005 -17.5896 -17.5896 -17.5588 -17.5588 -17.5564 -17.5564 -10.9510 -10.9510 -10.9505 -10.9505 -10.8615 -10.8615 -10.8587 -10.8587 -0.1596 -0.1596 -0.1473 -0.1473 -0.0068 -0.0068 -0.0044 -0.0044 0.3206 0.3206 0.3461 0.3461 0.6851 0.6851 0.7045 0.7045 0.9538 0.9538 0.9823 0.9823 1.2409 1.2409 1.2450 1.2450 8.0177 8.0177 8.0225 8.0225 8.2551 8.2551 8.2659 8.2659 8.5429 8.5435 k = 0.5000 0.0906-0.0000 ( 5954 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9572 -17.9572 -17.9484 -17.9484 -17.6014 -17.6014 -17.5889 -17.5889 -17.5588 -17.5588 -17.5561 -17.5561 -10.9519 -10.9519 -10.9514 -10.9514 -10.8608 -10.8608 -10.8576 -10.8576 -0.1628 -0.1628 -0.1493 -0.1493 -0.0098 -0.0098 -0.0076 -0.0076 0.3181 0.3181 0.3464 0.3464 0.6782 0.6782 0.7004 0.7004 0.9637 0.9637 0.9949 0.9949 1.2448 1.2448 1.2500 1.2500 7.9894 7.9894 7.9936 7.9936 8.2660 8.2660 8.2765 8.2765 8.5632 8.5651 k = 0.5000 0.1036-0.0000 ( 5952 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9578 -17.9578 -17.9479 -17.9479 -17.6024 -17.6024 -17.5882 -17.5882 -17.5587 -17.5587 -17.5558 -17.5558 -10.9529 -10.9529 -10.9524 -10.9524 -10.8600 -10.8600 -10.8565 -10.8565 -0.1665 -0.1665 -0.1521 -0.1521 -0.0126 -0.0126 -0.0109 -0.0109 0.3162 0.3162 0.3469 0.3469 0.6707 0.6707 0.6958 0.6958 0.9739 0.9739 1.0070 1.0070 1.2498 1.2498 1.2565 1.2565 7.9608 7.9608 7.9643 7.9643 8.2767 8.2767 8.2867 8.2867 8.5850 8.5855 k = 0.5000 0.1165-0.0000 ( 5966 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9584 -17.9584 -17.9474 -17.9474 -17.6033 -17.6033 -17.5877 -17.5877 -17.5586 -17.5586 -17.5554 -17.5554 -10.9540 -10.9540 -10.9535 -10.9535 -10.8591 -10.8591 -10.8553 -10.8553 -0.1707 -0.1707 -0.1560 -0.1560 -0.0149 -0.0149 -0.0141 -0.0141 0.3151 0.3151 0.3477 0.3477 0.6628 0.6628 0.6906 0.6906 0.9837 0.9837 1.0182 1.0182 1.2562 1.2562 1.2646 1.2646 7.9320 7.9320 7.9351 7.9351 8.2871 8.2871 8.2967 8.2967 8.6070 8.6075 k = 0.5000 0.1294-0.0000 ( 5968 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9590 -17.9590 -17.9469 -17.9469 -17.6042 -17.6042 -17.5872 -17.5872 -17.5585 -17.5585 -17.5551 -17.5551 -10.9551 -10.9551 -10.9546 -10.9546 -10.8582 -10.8582 -10.8540 -10.8540 -0.1755 -0.1755 -0.1608 -0.1608 -0.0171 -0.0171 -0.0166 -0.0166 0.3149 0.3149 0.3489 0.3489 0.6544 0.6544 0.6850 0.6850 0.9929 0.9929 1.0281 1.0281 1.2639 1.2639 1.2744 1.2744 7.9035 7.9035 7.9060 7.9060 8.2975 8.2975 8.3067 8.3067 8.6292 8.6301 k = 0.5000 0.1424-0.0000 ( 5964 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9595 -17.9595 -17.9464 -17.9464 -17.6051 -17.6051 -17.5867 -17.5867 -17.5583 -17.5583 -17.5548 -17.5548 -10.9562 -10.9562 -10.9557 -10.9557 -10.8572 -10.8572 -10.8528 -10.8528 -0.1808 -0.1808 -0.1667 -0.1667 -0.0198 -0.0198 -0.0176 -0.0176 0.3155 0.3155 0.3507 0.3507 0.6456 0.6456 0.6789 0.6789 1.0010 1.0010 1.0364 1.0364 1.2731 1.2731 1.2858 1.2858 7.8753 7.8753 7.8774 7.8774 8.3078 8.3078 8.3165 8.3165 8.6514 8.6523 k = 0.5000 0.1553-0.0000 ( 5972 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9601 -17.9601 -17.9460 -17.9460 -17.6059 -17.6059 -17.5863 -17.5863 -17.5581 -17.5581 -17.5545 -17.5545 -10.9573 -10.9573 -10.9569 -10.9569 -10.8563 -10.8563 -10.8515 -10.8515 -0.1866 -0.1866 -0.1734 -0.1734 -0.0220 -0.0220 -0.0178 -0.0178 0.3170 0.3170 0.3531 0.3531 0.6364 0.6364 0.6724 0.6724 1.0079 1.0079 1.0431 1.0431 1.2836 1.2836 1.2987 1.2987 7.8477 7.8477 7.8494 7.8494 8.3180 8.3180 8.3263 8.3263 8.6721 8.6776 k = 0.5000 0.1683-0.0000 ( 5974 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9606 -17.9606 -17.9455 -17.9455 -17.6067 -17.6067 -17.5859 -17.5859 -17.5578 -17.5578 -17.5542 -17.5542 -10.9584 -10.9584 -10.9580 -10.9580 -10.8553 -10.8553 -10.8503 -10.8503 -0.1929 -0.1929 -0.1807 -0.1807 -0.0239 -0.0239 -0.0175 -0.0175 0.3194 0.3194 0.3560 0.3560 0.6268 0.6268 0.6655 0.6655 1.0135 1.0135 1.0482 1.0482 1.2953 1.2953 1.3127 1.3127 7.8210 7.8210 7.8223 7.8223 8.3280 8.3280 8.3359 8.3359 8.6922 8.6925 k = 0.5000 0.1812-0.0000 ( 5978 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9611 -17.9611 -17.9451 -17.9451 -17.6075 -17.6075 -17.5856 -17.5856 -17.5576 -17.5576 -17.5539 -17.5539 -10.9595 -10.9595 -10.9591 -10.9591 -10.8543 -10.8543 -10.8491 -10.8491 -0.1995 -0.1995 -0.1884 -0.1884 -0.0252 -0.0252 -0.0166 -0.0166 0.3226 0.3226 0.3596 0.3596 0.6168 0.6168 0.6582 0.6582 1.0179 1.0179 1.0520 1.0520 1.3078 1.3078 1.3276 1.3276 7.7952 7.7952 7.7962 7.7962 8.3377 8.3377 8.3454 8.3454 8.7112 8.7140 k = 0.5000 0.1942-0.0000 ( 5982 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9615 -17.9615 -17.9448 -17.9448 -17.6082 -17.6082 -17.5854 -17.5854 -17.5574 -17.5574 -17.5536 -17.5536 -10.9606 -10.9606 -10.9602 -10.9602 -10.8534 -10.8534 -10.8479 -10.8479 -0.2062 -0.2062 -0.1964 -0.1964 -0.0262 -0.0262 -0.0152 -0.0152 0.3267 0.3267 0.3638 0.3638 0.6066 0.6066 0.6506 0.6506 1.0211 1.0211 1.0546 1.0546 1.3209 1.3209 1.3429 1.3429 7.7706 7.7706 7.7712 7.7712 8.3471 8.3471 8.3545 8.3545 8.7291 8.7309 k = 0.5000 0.2071-0.0000 ( 5982 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9619 -17.9619 -17.9444 -17.9444 -17.6088 -17.6088 -17.5851 -17.5851 -17.5571 -17.5571 -17.5533 -17.5533 -10.9616 -10.9616 -10.9613 -10.9613 -10.8525 -10.8525 -10.8468 -10.8468 -0.2129 -0.2129 -0.2044 -0.2044 -0.0269 -0.0269 -0.0136 -0.0136 0.3315 0.3315 0.3684 0.3684 0.5961 0.5961 0.6428 0.6428 1.0234 1.0234 1.0562 1.0562 1.3342 1.3342 1.3583 1.3583 7.7475 7.7475 7.7477 7.7477 8.3561 8.3561 8.3632 8.3632 8.7456 8.7482 k = 0.5000 0.2200-0.0000 ( 5986 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9623 -17.9623 -17.9441 -17.9441 -17.6094 -17.6094 -17.5850 -17.5850 -17.5569 -17.5569 -17.5531 -17.5531 -10.9625 -10.9625 -10.9622 -10.9622 -10.8516 -10.8516 -10.8458 -10.8458 -0.2195 -0.2195 -0.2122 -0.2122 -0.0272 -0.0272 -0.0118 -0.0118 0.3369 0.3369 0.3735 0.3735 0.5855 0.5855 0.6349 0.6349 1.0249 1.0249 1.0570 1.0570 1.3474 1.3474 1.3733 1.3733 7.7258 7.7258 7.7259 7.7259 8.3646 8.3646 8.3715 8.3715 8.7607 8.7623 k = 0.5000 0.2330-0.0000 ( 5994 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9627 -17.9627 -17.9439 -17.9439 -17.6099 -17.6099 -17.5848 -17.5848 -17.5566 -17.5566 -17.5529 -17.5529 -10.9634 -10.9634 -10.9631 -10.9631 -10.8508 -10.8508 -10.8449 -10.8449 -0.2258 -0.2258 -0.2196 -0.2196 -0.0273 -0.0273 -0.0099 -0.0099 0.3429 0.3429 0.3790 0.3790 0.5748 0.5748 0.6269 0.6269 1.0258 1.0258 1.0574 1.0574 1.3601 1.3601 1.3876 1.3876 7.7057 7.7057 7.7060 7.7060 8.3724 8.3724 8.3791 8.3791 8.7743 8.7759 k = 0.5000 0.2459-0.0000 ( 5990 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9630 -17.9630 -17.9436 -17.9436 -17.6104 -17.6104 -17.5847 -17.5847 -17.5564 -17.5564 -17.5527 -17.5527 -10.9641 -10.9641 -10.9640 -10.9640 -10.8501 -10.8501 -10.8440 -10.8440 -0.2317 -0.2317 -0.2264 -0.2264 -0.0272 -0.0272 -0.0080 -0.0080 0.3494 0.3494 0.3846 0.3846 0.5643 0.5643 0.6190 0.6190 1.0263 1.0263 1.0573 1.0573 1.3721 1.3721 1.4010 1.4010 7.6875 7.6875 7.6880 7.6880 8.3796 8.3796 8.3862 8.3862 8.7859 8.7887 k = 0.5000 0.2589-0.0000 ( 5984 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9633 -17.9633 -17.9434 -17.9434 -17.6108 -17.6108 -17.5846 -17.5846 -17.5562 -17.5562 -17.5525 -17.5525 -10.9648 -10.9648 -10.9647 -10.9647 -10.8495 -10.8495 -10.8433 -10.8433 -0.2370 -0.2370 -0.2326 -0.2326 -0.0270 -0.0270 -0.0063 -0.0063 0.3560 0.3560 0.3902 0.3902 0.5541 0.5541 0.6114 0.6114 1.0264 1.0264 1.0570 1.0570 1.3830 1.3830 1.4131 1.4131 7.6714 7.6714 7.6722 7.6722 8.3860 8.3860 8.3924 8.3924 8.7959 8.7988 k = 0.5000 0.2718-0.0000 ( 5980 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9635 -17.9635 -17.9432 -17.9432 -17.6112 -17.6112 -17.5845 -17.5845 -17.5560 -17.5560 -17.5523 -17.5523 -10.9654 -10.9654 -10.9653 -10.9653 -10.8489 -10.8489 -10.8426 -10.8426 -0.2417 -0.2417 -0.2381 -0.2381 -0.0267 -0.0267 -0.0047 -0.0047 0.3627 0.3627 0.3956 0.3956 0.5444 0.5444 0.6043 0.6043 1.0263 1.0263 1.0565 1.0565 1.3926 1.3926 1.4237 1.4237 7.6575 7.6575 7.6585 7.6585 8.3916 8.3916 8.3979 8.3979 8.8045 8.8062 k = 0.5000 0.2848-0.0000 ( 5982 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9637 -17.9637 -17.9431 -17.9431 -17.6115 -17.6115 -17.5844 -17.5844 -17.5558 -17.5558 -17.5522 -17.5522 -10.9659 -10.9659 -10.9658 -10.9658 -10.8484 -10.8484 -10.8421 -10.8421 -0.2457 -0.2457 -0.2426 -0.2426 -0.0265 -0.0265 -0.0033 -0.0033 0.3691 0.3691 0.4007 0.4007 0.5355 0.5355 0.5980 0.5980 1.0261 1.0261 1.0560 1.0560 1.4007 1.4007 1.4326 1.4326 7.6460 7.6460 7.6471 7.6471 8.3963 8.3963 8.4024 8.4024 8.8115 8.8117 k = 0.5000 0.2977-0.0000 ( 5982 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9638 -17.9638 -17.9429 -17.9429 -17.6117 -17.6117 -17.5844 -17.5844 -17.5557 -17.5557 -17.5521 -17.5521 -10.9663 -10.9663 -10.9662 -10.9662 -10.8481 -10.8481 -10.8417 -10.8417 -0.2488 -0.2488 -0.2462 -0.2462 -0.0262 -0.0262 -0.0022 -0.0022 0.3749 0.3749 0.4050 0.4050 0.5279 0.5279 0.5926 0.5926 1.0258 1.0258 1.0556 1.0556 1.4072 1.4072 1.4397 1.4397 7.6369 7.6369 7.6381 7.6381 8.3999 8.3999 8.4060 8.4060 8.8170 8.8188 k = 0.5000 0.3107-0.0000 ( 5998 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9640 -17.9640 -17.9429 -17.9429 -17.6119 -17.6119 -17.5844 -17.5844 -17.5556 -17.5556 -17.5521 -17.5521 -10.9666 -10.9666 -10.9665 -10.9665 -10.8478 -10.8478 -10.8414 -10.8414 -0.2511 -0.2511 -0.2489 -0.2489 -0.0261 -0.0261 -0.0013 -0.0013 0.3795 0.3795 0.4083 0.4083 0.5219 0.5219 0.5885 0.5885 1.0256 1.0256 1.0552 1.0552 1.4119 1.4119 1.4448 1.4448 7.6303 7.6303 7.6316 7.6316 8.4025 8.4025 8.4086 8.4086 8.8209 8.8216 k = 0.5000 0.3236-0.0000 ( 6000 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9640 -17.9640 -17.9428 -17.9428 -17.6120 -17.6120 -17.5843 -17.5843 -17.5556 -17.5556 -17.5520 -17.5520 -10.9668 -10.9668 -10.9667 -10.9667 -10.8477 -10.8477 -10.8412 -10.8412 -0.2525 -0.2525 -0.2504 -0.2504 -0.0259 -0.0259 -0.0008 -0.0008 0.3825 0.3825 0.4104 0.4104 0.5180 0.5180 0.5859 0.5859 1.0255 1.0255 1.0550 1.0550 1.4148 1.4148 1.4480 1.4480 7.6264 7.6264 7.6277 7.6277 8.4042 8.4042 8.4102 8.4102 8.8230 8.8239 k = 0.5000 0.3365-0.0000 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9641 -17.9641 -17.9428 -17.9428 -17.6120 -17.6120 -17.5843 -17.5843 -17.5555 -17.5555 -17.5520 -17.5520 -10.9669 -10.9669 -10.9668 -10.9668 -10.8476 -10.8476 -10.8411 -10.8411 -0.2530 -0.2530 -0.2510 -0.2510 -0.0259 -0.0259 -0.0007 -0.0007 0.3835 0.3835 0.4112 0.4112 0.5167 0.5167 0.5850 0.5850 1.0254 1.0254 1.0549 1.0549 1.4158 1.4158 1.4490 1.4490 7.6250 7.6250 7.6264 7.6264 8.4047 8.4047 8.4107 8.4107 8.8237 8.8249 k = 0.5000 0.3365-0.0000 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9641 -17.9641 -17.9428 -17.9428 -17.6120 -17.6120 -17.5843 -17.5843 -17.5555 -17.5555 -17.5520 -17.5520 -10.9669 -10.9669 -10.9668 -10.9668 -10.8476 -10.8476 -10.8411 -10.8411 -0.2530 -0.2530 -0.2510 -0.2510 -0.0259 -0.0259 -0.0007 -0.0007 0.3835 0.3835 0.4112 0.4112 0.5167 0.5167 0.5850 0.5850 1.0254 1.0254 1.0549 1.0549 1.4158 1.4158 1.4490 1.4490 7.6250 7.6250 7.6264 7.6264 8.4047 8.4047 8.4107 8.4107 8.8236 8.8236 k = 0.4868 0.3365-0.0000 ( 5994 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9640 -17.9640 -17.9428 -17.9428 -17.6119 -17.6119 -17.5843 -17.5843 -17.5556 -17.5556 -17.5520 -17.5520 -10.9669 -10.9669 -10.9668 -10.9668 -10.8478 -10.8478 -10.8413 -10.8413 -0.2518 -0.2518 -0.2497 -0.2497 -0.0268 -0.0268 -0.0015 -0.0015 0.3846 0.3846 0.4121 0.4121 0.5157 0.5157 0.5838 0.5838 1.0263 1.0263 1.0558 1.0558 1.4159 1.4159 1.4491 1.4491 7.6261 7.6261 7.6275 7.6275 8.4049 8.4049 8.4109 8.4109 8.8221 8.8232 k = 0.4737 0.3365-0.0000 ( 6002 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9639 -17.9639 -17.9427 -17.9427 -17.6117 -17.6117 -17.5841 -17.5841 -17.5556 -17.5556 -17.5521 -17.5521 -10.9671 -10.9671 -10.9670 -10.9670 -10.8482 -10.8482 -10.8417 -10.8417 -0.2483 -0.2483 -0.2461 -0.2461 -0.0297 -0.0297 -0.0041 -0.0041 0.3877 0.3877 0.4148 0.4148 0.5127 0.5127 0.5802 0.5802 1.0287 1.0287 1.0583 1.0583 1.4164 1.4164 1.4494 1.4494 7.6292 7.6292 7.6306 7.6306 8.4054 8.4054 8.4114 8.4114 8.8149 8.8165 k = 0.4605 0.3365-0.0000 ( 5998 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9636 -17.9636 -17.9426 -17.9426 -17.6112 -17.6112 -17.5839 -17.5839 -17.5557 -17.5557 -17.5523 -17.5523 -10.9674 -10.9674 -10.9673 -10.9673 -10.8489 -10.8489 -10.8425 -10.8425 -0.2425 -0.2425 -0.2400 -0.2400 -0.0343 -0.0343 -0.0082 -0.0082 0.3928 0.3928 0.4192 0.4192 0.5079 0.5079 0.5744 0.5744 1.0325 1.0325 1.0622 1.0622 1.4172 1.4172 1.4498 1.4498 7.6345 7.6345 7.6359 7.6359 8.4063 8.4063 8.4123 8.4123 8.8047 8.8053 k = 0.4474 0.3365-0.0000 ( 5990 PWs) bands (ev): -36.6549 -36.6549 -36.6545 -36.6545 -17.9633 -17.9633 -17.9424 -17.9424 -17.6106 -17.6106 -17.5835 -17.5835 -17.5558 -17.5558 -17.5525 -17.5525 -10.9678 -10.9678 -10.9677 -10.9677 -10.8499 -10.8499 -10.8434 -10.8434 -0.2345 -0.2345 -0.2315 -0.2315 -0.0404 -0.0404 -0.0137 -0.0137 0.3996 0.3996 0.4249 0.4249 0.5017 0.5017 0.5666 0.5666 1.0375 1.0375 1.0673 1.0673 1.4184 1.4184 1.4506 1.4506 7.6418 7.6418 7.6432 7.6432 8.4075 8.4075 8.4134 8.4134 8.7891 8.7904 k = 0.4342 0.3365-0.0000 ( 5996 PWs) bands (ev): -36.6550 -36.6550 -36.6545 -36.6545 -17.9629 -17.9629 -17.9421 -17.9421 -17.6099 -17.6099 -17.5831 -17.5831 -17.5560 -17.5560 -17.5527 -17.5527 -10.9684 -10.9684 -10.9683 -10.9683 -10.8510 -10.8510 -10.8447 -10.8447 -0.2245 -0.2245 -0.2208 -0.2208 -0.0479 -0.0479 -0.0204 -0.0204 0.4080 0.4080 0.4316 0.4316 0.4946 0.4946 0.5573 0.5573 1.0434 1.0434 1.0731 1.0731 1.4202 1.4202 1.4517 1.4517 7.6511 7.6511 7.6526 7.6526 8.4089 8.4089 8.4149 8.4149 8.7705 8.7715 k = 0.4211 0.3365-0.0000 ( 5996 PWs) bands (ev): -36.6550 -36.6550 -36.6545 -36.6545 -17.9624 -17.9624 -17.9419 -17.9419 -17.6090 -17.6090 -17.5826 -17.5826 -17.5562 -17.5562 -17.5531 -17.5531 -10.9692 -10.9692 -10.9691 -10.9691 -10.8524 -10.8524 -10.8461 -10.8461 -0.2126 -0.2126 -0.2081 -0.2081 -0.0565 -0.0565 -0.0278 -0.0278 0.4177 0.4177 0.4384 0.4384 0.4876 0.4876 0.5468 0.5468 1.0498 1.0498 1.0793 1.0793 1.4225 1.4225 1.4531 1.4531 7.6624 7.6624 7.6639 7.6639 8.4106 8.4106 8.4165 8.4165 8.7482 8.7487 k = 0.4079 0.3365-0.0000 ( 5992 PWs) bands (ev): -36.6551 -36.6551 -36.6546 -36.6546 -17.9618 -17.9618 -17.9415 -17.9415 -17.6079 -17.6079 -17.5819 -17.5819 -17.5564 -17.5564 -17.5534 -17.5534 -10.9702 -10.9702 -10.9701 -10.9701 -10.8539 -10.8539 -10.8476 -10.8476 -0.1993 -0.1993 -0.1936 -0.1936 -0.0656 -0.0656 -0.0357 -0.0357 0.4285 0.4285 0.4434 0.4434 0.4827 0.4827 0.5355 0.5355 1.0564 1.0564 1.0855 1.0855 1.4256 1.4256 1.4551 1.4551 7.6756 7.6756 7.6771 7.6771 8.4123 8.4123 8.4182 8.4183 8.7229 8.7232 k = 0.3947 0.3365-0.0000 ( 5998 PWs) bands (ev): -36.6551 -36.6551 -36.6546 -36.6546 -17.9611 -17.9611 -17.9412 -17.9412 -17.6067 -17.6067 -17.5813 -17.5813 -17.5566 -17.5566 -17.5538 -17.5538 -10.9715 -10.9715 -10.9714 -10.9714 -10.8554 -10.8554 -10.8493 -10.8493 -0.1852 -0.1852 -0.1781 -0.1781 -0.0746 -0.0746 -0.0431 -0.0431 0.4400 0.4400 0.4437 0.4437 0.4829 0.4829 0.5237 0.5237 1.0629 1.0629 1.0912 1.0912 1.4295 1.4295 1.4576 1.4576 7.6906 7.6906 7.6921 7.6921 8.4140 8.4140 8.4199 8.4199 8.6953 8.6954 k = 0.3816 0.3365-0.0000 ( 5984 PWs) bands (ev): -36.6552 -36.6552 -36.6547 -36.6547 -17.9604 -17.9604 -17.9408 -17.9408 -17.6053 -17.6053 -17.5805 -17.5805 -17.5568 -17.5568 -17.5542 -17.5542 -10.9731 -10.9731 -10.9730 -10.9730 -10.8570 -10.8570 -10.8509 -10.8509 -0.1715 -0.1715 -0.1629 -0.1629 -0.0819 -0.0819 -0.0490 -0.0490 0.4387 0.4387 0.4519 0.4519 0.4889 0.4889 0.5120 0.5120 1.0689 1.0689 1.0961 1.0961 1.4343 1.4343 1.4608 1.4608 7.7073 7.7073 7.7089 7.7089 8.4154 8.4154 8.4212 8.4212 8.6651 8.6653 k = 0.3684 0.3365-0.0000 ( 5986 PWs) bands (ev): -36.6552 -36.6552 -36.6548 -36.6548 -17.9596 -17.9596 -17.9404 -17.9404 -17.6038 -17.6038 -17.5797 -17.5797 -17.5570 -17.5570 -17.5547 -17.5547 -10.9750 -10.9750 -10.9749 -10.9749 -10.8585 -10.8585 -10.8526 -10.8526 -0.1602 -0.1602 -0.1516 -0.1516 -0.0840 -0.0840 -0.0514 -0.0514 0.4309 0.4309 0.4637 0.4637 0.4984 0.4984 0.5010 0.5010 1.0742 1.0742 1.1000 1.1000 1.4401 1.4401 1.4646 1.4646 7.7257 7.7257 7.7273 7.7273 8.4159 8.4159 8.4217 8.4217 8.6343 8.6345 k = 0.3553 0.3365-0.0000 ( 5984 PWs) bands (ev): -36.6553 -36.6553 -36.6548 -36.6548 -17.9587 -17.9587 -17.9399 -17.9399 -17.6022 -17.6022 -17.5789 -17.5789 -17.5571 -17.5571 -17.5552 -17.5552 -10.9773 -10.9773 -10.9772 -10.9772 -10.8598 -10.8598 -10.8541 -10.8541 -0.1539 -0.1539 -0.1490 -0.1490 -0.0761 -0.0761 -0.0475 -0.0475 0.4224 0.4224 0.4732 0.4732 0.4931 0.4931 0.5094 0.5094 1.0786 1.0786 1.1027 1.1027 1.4467 1.4467 1.4691 1.4691 7.7456 7.7456 7.7472 7.7472 8.4147 8.4147 8.4204 8.4204 8.6034 8.6036 k = 0.3421 0.3365-0.0000 ( 5984 PWs) bands (ev): -36.6554 -36.6554 -36.6549 -36.6549 -17.9578 -17.9578 -17.9395 -17.9395 -17.6005 -17.6005 -17.5780 -17.5780 -17.5573 -17.5573 -17.5557 -17.5557 -10.9801 -10.9801 -10.9799 -10.9799 -10.8611 -10.8611 -10.8555 -10.8555 -0.1551 -0.1551 -0.1542 -0.1542 -0.0583 -0.0583 -0.0359 -0.0359 0.4140 0.4140 0.4720 0.4720 0.4964 0.4964 0.5211 0.5211 1.0819 1.0819 1.1042 1.1042 1.4543 1.4543 1.4744 1.4744 7.7669 7.7669 7.7685 7.7685 8.4105 8.4105 8.4159 8.4159 8.5745 8.5746 k = 0.3289 0.3365-0.0000 ( 5976 PWs) bands (ev): -36.6555 -36.6555 -36.6550 -36.6550 -17.9569 -17.9569 -17.9390 -17.9390 -17.5986 -17.5986 -17.5772 -17.5772 -17.5573 -17.5573 -17.5563 -17.5563 -10.9832 -10.9832 -10.9830 -10.9830 -10.8621 -10.8621 -10.8567 -10.8567 -0.1659 -0.1659 -0.1604 -0.1604 -0.0346 -0.0346 -0.0173 -0.0173 0.4062 0.4062 0.4641 0.4641 0.5074 0.5074 0.5330 0.5330 1.0841 1.0841 1.1042 1.1042 1.4626 1.4626 1.4804 1.4804 7.7894 7.7894 7.7911 7.7911 8.4010 8.4010 8.4058 8.4058 8.5498 8.5500 k = 0.3158 0.3365-0.0000 ( 5970 PWs) bands (ev): -36.6556 -36.6556 -36.6551 -36.6551 -17.9559 -17.9559 -17.9386 -17.9386 -17.5967 -17.5967 -17.5764 -17.5764 -17.5573 -17.5573 -17.5568 -17.5568 -10.9868 -10.9868 -10.9865 -10.9865 -10.8629 -10.8629 -10.8577 -10.8577 -0.1789 -0.1789 -0.1705 -0.1705 -0.0075 -0.0075 0.0061 0.0061 0.3993 0.3993 0.4558 0.4558 0.5195 0.5195 0.5448 0.5448 1.0852 1.0852 1.1030 1.1030 1.4716 1.4716 1.4869 1.4869 7.8131 7.8131 7.8149 7.8149 8.3839 8.3839 8.3879 8.3879 8.5314 8.5323 k = 0.3026 0.3365-0.0000 ( 5970 PWs) bands (ev): -36.6557 -36.6557 -36.6552 -36.6552 -17.9549 -17.9549 -17.9381 -17.9381 -17.5947 -17.5947 -17.5756 -17.5756 -17.5574 -17.5574 -17.5571 -17.5571 -10.9908 -10.9908 -10.9904 -10.9904 -10.8634 -10.8634 -10.8585 -10.8585 -0.1931 -0.1931 -0.1829 -0.1829 0.0218 0.0218 0.0327 0.0327 0.3936 0.3936 0.4483 0.4483 0.5317 0.5317 0.5565 0.5565 1.0851 1.0851 1.1005 1.1005 1.4812 1.4812 1.4940 1.4940 7.8378 7.8378 7.8396 7.8396 8.3587 8.3587 8.3616 8.3616 8.5206 8.5207 k = 0.2895 0.3365-0.0000 ( 5968 PWs) bands (ev): -36.6557 -36.6557 -36.6553 -36.6553 -17.9539 -17.9539 -17.9377 -17.9377 -17.5926 -17.5926 -17.5750 -17.5750 -17.5579 -17.5579 -17.5570 -17.5570 -10.9952 -10.9952 -10.9947 -10.9947 -10.8637 -10.8637 -10.8590 -10.8590 -0.2079 -0.2079 -0.1969 -0.1969 0.0527 0.0527 0.0616 0.0616 0.3893 0.3893 0.4420 0.4420 0.5436 0.5436 0.5678 0.5678 1.0839 1.0839 1.0969 1.0969 1.4910 1.4910 1.5015 1.5015 7.8632 7.8632 7.8651 7.8651 8.3266 8.3266 8.3286 8.3286 8.5160 8.5161 k = 0.2763 0.3365-0.0000 ( 5976 PWs) bands (ev): -36.6558 -36.6558 -36.6554 -36.6554 -17.9529 -17.9529 -17.9373 -17.9373 -17.5905 -17.5905 -17.5744 -17.5744 -17.5584 -17.5584 -17.5566 -17.5566 -10.9999 -10.9999 -10.9993 -10.9993 -10.8637 -10.8637 -10.8593 -10.8593 -0.2232 -0.2232 -0.2117 -0.2117 0.0847 0.0847 0.0920 0.0920 0.3863 0.3863 0.4369 0.4369 0.5551 0.5551 0.5787 0.5787 1.0817 1.0817 1.0923 1.0923 1.5011 1.5011 1.5093 1.5093 7.8892 7.8892 7.8912 7.8912 8.2901 8.2901 8.2914 8.2914 8.5151 8.5153 k = 0.2632 0.3365-0.0000 ( 5978 PWs) bands (ev): -36.6559 -36.6559 -36.6555 -36.6555 -17.9519 -17.9519 -17.9369 -17.9369 -17.5884 -17.5884 -17.5740 -17.5740 -17.5589 -17.5589 -17.5561 -17.5561 -11.0049 -11.0049 -11.0043 -11.0043 -10.8634 -10.8634 -10.8593 -10.8593 -0.2387 -0.2387 -0.2271 -0.2271 0.1175 0.1175 0.1233 0.1233 0.3849 0.3849 0.4334 0.4334 0.5661 0.5661 0.5891 0.5891 1.0786 1.0786 1.0869 1.0869 1.5112 1.5112 1.5172 1.5172 7.9154 7.9154 7.9175 7.9175 8.2510 8.2510 8.2515 8.2515 8.5164 8.5165 k = 0.2500 0.3365-0.0000 ( 5974 PWs) bands (ev): -36.6560 -36.6560 -36.6556 -36.6556 -17.9508 -17.9508 -17.9365 -17.9365 -17.5863 -17.5863 -17.5737 -17.5737 -17.5592 -17.5592 -17.5554 -17.5554 -11.0102 -11.0102 -11.0095 -11.0095 -10.8630 -10.8630 -10.8590 -10.8590 -0.2542 -0.2542 -0.2428 -0.2428 0.1508 0.1508 0.1552 0.1552 0.3851 0.3851 0.4313 0.4313 0.5765 0.5765 0.5988 0.5988 1.0748 1.0748 1.0809 1.0809 1.5211 1.5211 1.5251 1.5251 7.9414 7.9414 7.9437 7.9437 8.2104 8.2104 8.2107 8.2107 8.5186 8.5186 k = 0.2368 0.3365-0.0000 ( 5996 PWs) bands (ev): -36.6562 -36.6562 -36.6557 -36.6557 -17.9498 -17.9498 -17.9362 -17.9362 -17.5843 -17.5843 -17.5736 -17.5736 -17.5596 -17.5596 -17.5546 -17.5546 -11.0157 -11.0157 -11.0149 -11.0149 -10.8623 -10.8623 -10.8586 -10.8586 -0.2696 -0.2696 -0.2585 -0.2585 0.1842 0.1842 0.1872 0.1872 0.3870 0.3870 0.4307 0.4307 0.5863 0.5863 0.6079 0.6079 1.0704 1.0704 1.0743 1.0743 1.5307 1.5307 1.5329 1.5329 7.9661 7.9661 7.9687 7.9687 8.1696 8.1696 8.1704 8.1704 8.5207 8.5210 k = 0.2237 0.3365-0.0000 ( 5988 PWs) bands (ev): -36.6562 -36.6562 -36.6558 -36.6558 -17.9488 -17.9488 -17.9358 -17.9358 -17.5824 -17.5824 -17.5735 -17.5735 -17.5597 -17.5597 -17.5537 -17.5537 -11.0213 -11.0213 -11.0205 -11.0205 -10.8614 -10.8614 -10.8580 -10.8580 -0.2849 -0.2849 -0.2743 -0.2743 0.2173 0.2173 0.2188 0.2188 0.3907 0.3907 0.4316 0.4316 0.5954 0.5954 0.6164 0.6164 1.0655 1.0655 1.0674 1.0674 1.5399 1.5399 1.5405 1.5405 7.9875 7.9875 7.9906 7.9906 8.1315 8.1315 8.1331 8.1331 8.5222 8.5238 k = 0.2105 0.3365-0.0000 ( 5992 PWs) bands (ev): -36.6563 -36.6563 -36.6559 -36.6559 -17.9478 -17.9478 -17.9355 -17.9355 -17.5806 -17.5806 -17.5735 -17.5735 -17.5597 -17.5597 -17.5527 -17.5527 -11.0270 -11.0270 -11.0262 -11.0262 -10.8605 -10.8605 -10.8573 -10.8573 -0.2998 -0.2998 -0.2898 -0.2898 0.2495 0.2495 0.2499 0.2499 0.3962 0.3962 0.4341 0.4341 0.6039 0.6039 0.6241 0.6241 1.0603 1.0603 1.0604 1.0604 1.5477 1.5477 1.5487 1.5487 7.9988 7.9988 8.0025 8.0025 8.1031 8.1031 8.1055 8.1055 8.5227 8.5229 k = 0.1974 0.3365-0.0000 ( 5984 PWs) bands (ev): -36.6564 -36.6564 -36.6560 -36.6560 -17.9469 -17.9469 -17.9353 -17.9353 -17.5791 -17.5791 -17.5736 -17.5736 -17.5595 -17.5595 -17.5516 -17.5516 -11.0327 -11.0327 -11.0318 -11.0318 -10.8594 -10.8594 -10.8564 -10.8564 -0.3144 -0.3144 -0.3050 -0.3050 0.2789 0.2789 0.2815 0.2815 0.4038 0.4038 0.4381 0.4381 0.6118 0.6118 0.6312 0.6312 1.0531 1.0531 1.0551 1.0551 1.5546 1.5546 1.5568 1.5568 7.9884 7.9884 7.9915 7.9915 8.0974 8.0974 8.0996 8.0996 8.5218 8.5224 k = 0.1842 0.3365-0.0000 ( 5988 PWs) bands (ev): -36.6565 -36.6565 -36.6561 -36.6561 -17.9459 -17.9459 -17.9351 -17.9351 -17.5778 -17.5778 -17.5738 -17.5738 -17.5591 -17.5591 -17.5505 -17.5505 -11.0383 -11.0383 -11.0375 -11.0375 -10.8582 -10.8582 -10.8554 -10.8554 -0.3285 -0.3285 -0.3197 -0.3197 0.3063 0.3063 0.3116 0.3116 0.4135 0.4135 0.4437 0.4437 0.6191 0.6191 0.6376 0.6376 1.0461 1.0461 1.0498 1.0498 1.5609 1.5609 1.5642 1.5642 7.9585 7.9585 7.9606 7.9606 8.1119 8.1119 8.1133 8.1133 8.5196 8.5197 k = 0.1711 0.3365-0.0000 ( 5988 PWs) bands (ev): -36.6566 -36.6566 -36.6562 -36.6562 -17.9450 -17.9450 -17.9349 -17.9349 -17.5767 -17.5767 -17.5740 -17.5740 -17.5584 -17.5584 -17.5494 -17.5494 -11.0438 -11.0438 -11.0430 -11.0430 -10.8570 -10.8570 -10.8544 -10.8544 -0.3421 -0.3421 -0.3339 -0.3339 0.3311 0.3311 0.3399 0.3399 0.4255 0.4255 0.4508 0.4508 0.6257 0.6257 0.6433 0.6433 1.0395 1.0395 1.0447 1.0447 1.5667 1.5667 1.5709 1.5709 7.9211 7.9211 7.9225 7.9225 8.1338 8.1338 8.1347 8.1347 8.5165 8.5169 k = 0.1579 0.3365-0.0000 ( 5988 PWs) bands (ev): -36.6567 -36.6567 -36.6562 -36.6562 -17.9441 -17.9441 -17.9348 -17.9348 -17.5760 -17.5760 -17.5742 -17.5742 -17.5574 -17.5574 -17.5483 -17.5483 -11.0492 -11.0492 -11.0483 -11.0483 -10.8557 -10.8557 -10.8534 -10.8534 -0.3549 -0.3549 -0.3475 -0.3475 0.3532 0.3532 0.3659 0.3659 0.4396 0.4396 0.4593 0.4593 0.6319 0.6319 0.6483 0.6483 1.0333 1.0333 1.0399 1.0399 1.5720 1.5720 1.5769 1.5769 7.8818 7.8818 7.8827 7.8827 8.1579 8.1579 8.1586 8.1586 8.5125 8.5128 k = 0.1447 0.3365-0.0000 ( 5986 PWs) bands (ev): -36.6568 -36.6568 -36.6563 -36.6563 -17.9433 -17.9433 -17.9347 -17.9347 -17.5755 -17.5755 -17.5745 -17.5745 -17.5563 -17.5563 -17.5473 -17.5473 -11.0543 -11.0543 -11.0535 -11.0535 -10.8545 -10.8545 -10.8524 -10.8524 -0.3671 -0.3671 -0.3603 -0.3603 0.3725 0.3725 0.3892 0.3892 0.4552 0.4552 0.4691 0.4691 0.6375 0.6375 0.6527 0.6527 1.0278 1.0278 1.0356 1.0356 1.5766 1.5766 1.5820 1.5820 7.8428 7.8428 7.8434 7.8434 8.1823 8.1823 8.1830 8.1830 8.5080 8.5085 k = 0.1316 0.3365-0.0000 ( 5990 PWs) bands (ev): -36.6569 -36.6569 -36.6564 -36.6564 -17.9425 -17.9425 -17.9346 -17.9346 -17.5753 -17.5753 -17.5747 -17.5747 -17.5550 -17.5550 -17.5463 -17.5463 -11.0591 -11.0591 -11.0583 -11.0583 -10.8532 -10.8532 -10.8514 -10.8514 -0.3784 -0.3784 -0.3723 -0.3723 0.3896 0.3896 0.4099 0.4099 0.4714 0.4714 0.4797 0.4797 0.6427 0.6427 0.6565 0.6565 1.0231 1.0231 1.0318 1.0318 1.5806 1.5806 1.5864 1.5864 7.8049 7.8049 7.8054 7.8054 8.2064 8.2064 8.2072 8.2072 8.5029 8.5033 k = 0.1184 0.3365-0.0000 ( 5994 PWs) bands (ev): -36.6569 -36.6569 -36.6565 -36.6565 -17.9417 -17.9417 -17.9346 -17.9346 -17.5752 -17.5752 -17.5748 -17.5748 -17.5536 -17.5536 -17.5455 -17.5455 -11.0636 -11.0636 -11.0629 -11.0629 -10.8521 -10.8521 -10.8504 -10.8504 -0.3888 -0.3888 -0.3834 -0.3834 0.4050 0.4050 0.4281 0.4281 0.4873 0.4873 0.4906 0.4906 0.6475 0.6475 0.6597 0.6597 1.0194 1.0194 1.0288 1.0288 1.5841 1.5841 1.5901 1.5901 7.7691 7.7691 7.7694 7.7694 8.2298 8.2298 8.2308 8.2308 8.4976 8.4977 k = 0.1053 0.3365-0.0000 ( 5990 PWs) bands (ev): -36.6570 -36.6570 -36.6565 -36.6565 -17.9410 -17.9410 -17.9347 -17.9347 -17.5753 -17.5753 -17.5749 -17.5749 -17.5521 -17.5521 -17.5447 -17.5447 -11.0677 -11.0677 -11.0671 -11.0671 -10.8510 -10.8510 -10.8495 -10.8495 -0.3983 -0.3983 -0.3935 -0.3935 0.4193 0.4193 0.4441 0.4441 0.5009 0.5009 0.5018 0.5018 0.6518 0.6518 0.6623 0.6623 1.0167 1.0167 1.0264 1.0264 1.5871 1.5871 1.5930 1.5930 7.7356 7.7356 7.7359 7.7359 8.2522 8.2522 8.2534 8.2534 8.4921 8.4930 k = 0.0921 0.3365-0.0000 ( 5998 PWs) bands (ev): -36.6571 -36.6571 -36.6566 -36.6566 -17.9403 -17.9403 -17.9348 -17.9348 -17.5755 -17.5755 -17.5750 -17.5750 -17.5507 -17.5507 -17.5440 -17.5440 -11.0715 -11.0715 -11.0709 -11.0709 -10.8499 -10.8499 -10.8486 -10.8486 -0.4067 -0.4067 -0.4026 -0.4026 0.4329 0.4329 0.4584 0.4584 0.5100 0.5100 0.5144 0.5144 0.6557 0.6557 0.6644 0.6644 1.0151 1.0151 1.0248 1.0248 1.5895 1.5895 1.5952 1.5952 7.7050 7.7050 7.7053 7.7053 8.2734 8.2734 8.2748 8.2748 8.4862 8.4862 k = 0.0789 0.3365-0.0000 ( 5998 PWs) bands (ev): -36.6571 -36.6571 -36.6566 -36.6566 -17.9396 -17.9396 -17.9349 -17.9349 -17.5757 -17.5757 -17.5751 -17.5751 -17.5493 -17.5493 -17.5435 -17.5435 -11.0748 -11.0748 -11.0743 -11.0743 -10.8490 -10.8490 -10.8479 -10.8479 -0.4142 -0.4142 -0.4106 -0.4106 0.4458 0.4458 0.4713 0.4713 0.5172 0.5172 0.5247 0.5247 0.6590 0.6590 0.6660 0.6660 1.0145 1.0145 1.0238 1.0238 1.5915 1.5915 1.5968 1.5968 7.6777 7.6777 7.6780 7.6780 8.2932 8.2932 8.2949 8.2949 8.4801 8.4802 k = 0.0658 0.3365-0.0000 ( 6012 PWs) bands (ev): -36.6572 -36.6572 -36.6567 -36.6567 -17.9390 -17.9390 -17.9351 -17.9351 -17.5759 -17.5759 -17.5753 -17.5753 -17.5480 -17.5480 -17.5431 -17.5431 -11.0776 -11.0776 -11.0772 -11.0772 -10.8482 -10.8482 -10.8472 -10.8472 -0.4205 -0.4205 -0.4175 -0.4175 0.4580 0.4580 0.4831 0.4831 0.5223 0.5223 0.5324 0.5324 0.6618 0.6618 0.6671 0.6671 1.0148 1.0148 1.0233 1.0233 1.5932 1.5932 1.5979 1.5979 7.6541 7.6541 7.6543 7.6543 8.3115 8.3115 8.3134 8.3134 8.4739 8.4739 k = 0.0526 0.3365-0.0000 ( 6012 PWs) bands (ev): -36.6572 -36.6572 -36.6567 -36.6567 -17.9385 -17.9385 -17.9353 -17.9353 -17.5760 -17.5760 -17.5754 -17.5754 -17.5469 -17.5469 -17.5429 -17.5429 -11.0800 -11.0800 -11.0796 -11.0796 -10.8475 -10.8475 -10.8467 -10.8467 -0.4256 -0.4256 -0.4233 -0.4233 0.4696 0.4696 0.4935 0.4935 0.5255 0.5255 0.5375 0.5375 0.6641 0.6641 0.6679 0.6679 1.0158 1.0158 1.0231 1.0231 1.5945 1.5945 1.5985 1.5985 7.6343 7.6343 7.6344 7.6344 8.3280 8.3280 8.3300 8.3300 8.4676 8.4676 k = 0.0395 0.3365-0.0000 ( 6012 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9379 -17.9379 -17.9355 -17.9355 -17.5761 -17.5761 -17.5756 -17.5756 -17.5458 -17.5458 -17.5428 -17.5428 -11.0818 -11.0818 -11.0815 -11.0815 -10.8469 -10.8469 -10.8463 -10.8463 -0.4296 -0.4296 -0.4279 -0.4279 0.4804 0.4804 0.5021 0.5021 0.5271 0.5271 0.5400 0.5400 0.6658 0.6658 0.6683 0.6683 1.0172 1.0172 1.0229 1.0229 1.5957 1.5957 1.5988 1.5988 7.6186 7.6186 7.6188 7.6188 8.3423 8.3423 8.3443 8.3443 8.4616 8.4616 k = 0.0263 0.3365-0.0000 ( 6020 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9375 -17.9375 -17.9358 -17.9358 -17.5761 -17.5761 -17.5757 -17.5757 -17.5450 -17.5450 -17.5429 -17.5429 -11.0831 -11.0831 -11.0829 -11.0829 -10.8464 -10.8464 -10.8461 -10.8461 -0.4324 -0.4324 -0.4312 -0.4312 0.4901 0.4901 0.5075 0.5075 0.5285 0.5285 0.5402 0.5402 0.6670 0.6670 0.6685 0.6685 1.0187 1.0187 1.0227 1.0227 1.5966 1.5966 1.5987 1.5987 7.6073 7.6073 7.6074 7.6074 8.3538 8.3538 8.3555 8.3555 8.4565 8.4565 k = 0.0132 0.3365-0.0000 ( 6030 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9370 -17.9370 -17.9361 -17.9361 -17.5762 -17.5762 -17.5757 -17.5757 -17.5442 -17.5442 -17.5431 -17.5431 -11.0839 -11.0839 -11.0838 -11.0838 -10.8461 -10.8461 -10.8460 -10.8460 -0.4339 -0.4339 -0.4334 -0.4334 0.4984 0.4984 0.5083 0.5083 0.5313 0.5313 0.5384 0.5384 0.6678 0.6678 0.6685 0.6685 1.0202 1.0202 1.0222 1.0222 1.5973 1.5973 1.5984 1.5984 7.6004 7.6004 7.6006 7.6006 8.3617 8.3617 8.3627 8.3627 8.4531 8.4531 k = 0.0000 0.3365-0.0000 ( 6034 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9364 -17.9364 -17.5762 -17.5762 -17.5758 -17.5758 -17.5438 -17.5438 -17.5434 -17.5434 -11.0841 -11.0841 -11.0841 -11.0841 -10.8460 -10.8460 -10.8460 -10.8460 -0.4343 -0.4343 -0.4343 -0.4343 0.5047 0.5047 0.5048 0.5048 0.5351 0.5351 0.5351 0.5351 0.6683 0.6683 0.6683 0.6683 1.0213 1.0213 1.0214 1.0214 1.5980 1.5980 1.5980 1.5980 7.5981 7.5981 7.5983 7.5983 8.3647 8.3647 8.3650 8.3651 8.4523 8.4525 k = 0.0000 0.3365-0.0000 ( 6034 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9364 -17.9364 -17.5762 -17.5762 -17.5758 -17.5758 -17.5438 -17.5438 -17.5434 -17.5434 -11.0841 -11.0841 -11.0841 -11.0841 -10.8460 -10.8460 -10.8460 -10.8460 -0.4343 -0.4343 -0.4343 -0.4343 0.5047 0.5047 0.5048 0.5048 0.5351 0.5351 0.5351 0.5351 0.6683 0.6683 0.6683 0.6683 1.0213 1.0213 1.0214 1.0214 1.5980 1.5980 1.5980 1.5980 7.5981 7.5981 7.5983 7.5983 8.3647 8.3647 8.3650 8.3651 8.4523 8.4525 k = 0.0000 0.3236-0.0000 ( 6026 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9376 -17.9376 -17.9355 -17.9355 -17.5775 -17.5775 -17.5744 -17.5744 -17.5442 -17.5442 -17.5430 -17.5430 -11.0982 -11.0982 -11.0700 -11.0700 -10.8486 -10.8486 -10.8433 -10.8433 -0.4602 -0.4602 -0.4087 -0.4087 0.4848 0.4848 0.5072 0.5072 0.5190 0.5190 0.5628 0.5628 0.6607 0.6607 0.6830 0.6830 1.0023 1.0023 1.0404 1.0404 1.5885 1.5885 1.6080 1.6080 7.5860 7.5860 7.6081 7.6081 8.3529 8.3529 8.3743 8.3743 8.4318 8.4318 k = 0.0000 0.3107-0.0000 ( 6026 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9386 -17.9386 -17.9345 -17.9345 -17.5791 -17.5791 -17.5729 -17.5729 -17.5448 -17.5448 -17.5424 -17.5424 -11.1123 -11.1123 -11.0560 -11.0560 -10.8511 -10.8511 -10.8406 -10.8406 -0.4865 -0.4865 -0.3835 -0.3835 0.4488 0.4488 0.5063 0.5063 0.5180 0.5180 0.5798 0.5798 0.6624 0.6624 0.7057 0.7057 0.9832 0.9832 1.0593 1.0593 1.5797 1.5797 1.6184 1.6184 7.5716 7.5716 7.6156 7.6156 8.3386 8.3386 8.3808 8.3808 8.4114 8.4114 k = 0.0000 0.2977-0.0000 ( 6020 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9397 -17.9397 -17.9335 -17.9335 -17.5806 -17.5806 -17.5714 -17.5714 -17.5453 -17.5453 -17.5418 -17.5418 -11.1262 -11.1262 -11.0422 -11.0422 -10.8534 -10.8534 -10.8378 -10.8378 -0.5130 -0.5130 -0.3588 -0.3588 0.4107 0.4107 0.5049 0.5049 0.5193 0.5193 0.5813 0.5813 0.6716 0.6716 0.7386 0.7386 0.9641 0.9641 1.0780 1.0780 1.5718 1.5718 1.6291 1.6291 7.5552 7.5552 7.6206 7.6206 8.3223 8.3223 8.3840 8.3841 8.3911 8.3911 k = 0.0000 0.2848-0.0000 ( 6004 PWs) bands (ev): -36.6573 -36.6573 -36.6567 -36.6567 -17.9406 -17.9406 -17.9324 -17.9324 -17.5820 -17.5820 -17.5698 -17.5698 -17.5458 -17.5458 -17.5412 -17.5412 -11.1400 -11.1400 -11.0286 -11.0286 -10.8556 -10.8556 -10.8350 -10.8350 -0.5398 -0.5398 -0.3345 -0.3345 0.3734 0.3734 0.5036 0.5036 0.5209 0.5209 0.5743 0.5743 0.6820 0.6820 0.7801 0.7801 0.9450 0.9450 1.0966 1.0966 1.5649 1.5649 1.6398 1.6398 7.5369 7.5369 7.6232 7.6232 8.3046 8.3046 8.3706 8.3706 8.3846 8.3847 k = 0.0000 0.2718-0.0000 ( 6002 PWs) bands (ev): -36.6573 -36.6573 -36.6567 -36.6567 -17.9416 -17.9416 -17.9315 -17.9315 -17.5835 -17.5835 -17.5684 -17.5684 -17.5464 -17.5464 -17.5407 -17.5407 -11.1536 -11.1536 -11.0154 -11.0154 -10.8575 -10.8575 -10.8322 -10.8322 -0.5667 -0.5667 -0.3107 -0.3107 0.3377 0.3377 0.5022 0.5022 0.5220 0.5220 0.5644 0.5644 0.6909 0.6909 0.8266 0.8266 0.9261 0.9261 1.1150 1.1150 1.5592 1.5592 1.6503 1.6503 7.5170 7.5170 7.6233 7.6233 8.2858 8.2858 8.3506 8.3506 8.3818 8.3818 k = 0.0000 0.2589-0.0000 ( 6000 PWs) bands (ev): -36.6573 -36.6573 -36.6567 -36.6567 -17.9425 -17.9425 -17.9305 -17.9305 -17.5849 -17.5849 -17.5669 -17.5669 -17.5469 -17.5469 -17.5401 -17.5401 -11.1670 -11.1670 -11.0027 -11.0027 -10.8591 -10.8591 -10.8294 -10.8294 -0.5937 -0.5937 -0.2874 -0.2874 0.3039 0.3039 0.5007 0.5007 0.5215 0.5215 0.5552 0.5552 0.6981 0.6981 0.8756 0.8756 0.9077 0.9077 1.1332 1.1332 1.5548 1.5548 1.6607 1.6607 7.4956 7.4956 7.6209 7.6209 8.2661 8.2661 8.3305 8.3305 8.3762 8.3762 k = 0.0000 0.2459-0.0000 ( 6002 PWs) bands (ev): -36.6574 -36.6574 -36.6567 -36.6567 -17.9435 -17.9435 -17.9296 -17.9296 -17.5863 -17.5863 -17.5655 -17.5655 -17.5474 -17.5474 -17.5396 -17.5396 -11.1799 -11.1799 -10.9904 -10.9904 -10.8604 -10.8604 -10.8267 -10.8267 -0.6206 -0.6206 -0.2646 -0.2646 0.2722 0.2722 0.4985 0.4985 0.5183 0.5183 0.5491 0.5491 0.7035 0.7035 0.8881 0.8881 0.9270 0.9270 1.1512 1.1512 1.5517 1.5517 1.6707 1.6707 7.4731 7.4731 7.6162 7.6162 8.2460 8.2460 8.3104 8.3104 8.3679 8.3680 k = 0.0000 0.2330-0.0000 ( 5996 PWs) bands (ev): -36.6574 -36.6574 -36.6566 -36.6566 -17.9444 -17.9444 -17.9286 -17.9286 -17.5876 -17.5876 -17.5641 -17.5641 -17.5479 -17.5479 -17.5390 -17.5390 -11.1926 -11.1926 -10.9789 -10.9789 -10.8612 -10.8612 -10.8240 -10.8240 -0.6474 -0.6474 -0.2425 -0.2425 0.2428 0.2428 0.4941 0.4941 0.5135 0.5135 0.5471 0.5471 0.7072 0.7072 0.8700 0.8700 0.9776 0.9776 1.1693 1.1693 1.5500 1.5500 1.6803 1.6803 7.4496 7.4496 7.6093 7.6093 8.2257 8.2257 8.2900 8.2900 8.3575 8.3575 k = 0.0000 0.2200-0.0000 ( 6004 PWs) bands (ev): -36.6574 -36.6574 -36.6566 -36.6566 -17.9453 -17.9453 -17.9277 -17.9277 -17.5890 -17.5890 -17.5627 -17.5627 -17.5484 -17.5484 -17.5385 -17.5385 -11.2048 -11.2048 -10.9683 -10.9683 -10.8615 -10.8615 -10.8214 -10.8214 -0.6739 -0.6739 -0.2210 -0.2210 0.2157 0.2157 0.4857 0.4857 0.5103 0.5103 0.5478 0.5478 0.7093 0.7093 0.8520 0.8520 1.0279 1.0279 1.1875 1.1875 1.5496 1.5496 1.6893 1.6893 7.4254 7.4254 7.6002 7.6002 8.2055 8.2055 8.2689 8.2689 8.3453 8.3453 k = 0.0000 0.2071-0.0000 ( 5994 PWs) bands (ev): -36.6574 -36.6574 -36.6566 -36.6566 -17.9462 -17.9462 -17.9268 -17.9268 -17.5902 -17.5902 -17.5614 -17.5614 -17.5488 -17.5488 -17.5380 -17.5380 -11.2165 -11.2165 -10.9586 -10.9586 -10.8611 -10.8611 -10.8189 -10.8189 -0.6999 -0.6999 -0.2001 -0.2001 0.1908 0.1908 0.4745 0.4745 0.5095 0.5095 0.5497 0.5497 0.7099 0.7099 0.8342 0.8342 1.0767 1.0767 1.2065 1.2065 1.5506 1.5506 1.6978 1.6978 7.4008 7.4008 7.5891 7.5891 8.1856 8.1856 8.2460 8.2460 8.3316 8.3316 k = 0.0000 0.1942-0.0000 ( 5998 PWs) bands (ev): -36.6575 -36.6575 -36.6566 -36.6566 -17.9470 -17.9470 -17.9260 -17.9260 -17.5914 -17.5914 -17.5602 -17.5602 -17.5492 -17.5492 -17.5375 -17.5375 -11.2278 -11.2278 -10.9501 -10.9501 -10.8599 -10.8599 -10.8164 -10.8164 -0.7254 -0.7254 -0.1801 -0.1801 0.1682 0.1682 0.4621 0.4621 0.5101 0.5101 0.5522 0.5522 0.7090 0.7090 0.8168 0.8168 1.1223 1.1223 1.2273 1.2273 1.5527 1.5527 1.7056 1.7056 7.3761 7.3761 7.5761 7.5761 8.1662 8.1662 8.2192 8.2192 8.3169 8.3169 k = 0.0000 0.1812-0.0000 ( 6001 PWs) bands (ev): -36.6575 -36.6575 -36.6565 -36.6565 -17.9478 -17.9478 -17.9253 -17.9253 -17.5926 -17.5926 -17.5590 -17.5590 -17.5496 -17.5496 -17.5371 -17.5371 -11.2385 -11.2385 -10.9428 -10.9428 -10.8579 -10.8579 -10.8141 -10.8141 -0.7501 -0.7501 -0.1609 -0.1609 0.1478 0.1478 0.4494 0.4494 0.5115 0.5115 0.5549 0.5549 0.7069 0.7069 0.7999 0.7999 1.1626 1.1626 1.2517 1.2517 1.5560 1.5560 1.7127 1.7127 7.3515 7.3515 7.5613 7.5613 8.1474 8.1474 8.1851 8.1851 8.3012 8.3021 k = 0.0000 0.1683-0.0000 ( 6005 PWs) bands (ev): -36.6575 -36.6575 -36.6565 -36.6565 -17.9485 -17.9485 -17.9245 -17.9245 -17.5937 -17.5937 -17.5579 -17.5579 -17.5500 -17.5500 -17.5366 -17.5366 -11.2486 -11.2486 -10.9369 -10.9369 -10.8549 -10.8549 -10.8119 -10.8119 -0.7739 -0.7739 -0.1426 -0.1426 0.1296 0.1296 0.4369 0.4369 0.5136 0.5136 0.5577 0.5577 0.7036 0.7036 0.7834 0.7834 1.1950 1.1950 1.2818 1.2818 1.5603 1.5603 1.7192 1.7192 7.3274 7.3274 7.5449 7.5449 8.1295 8.1295 8.1416 8.1416 8.2720 8.2721 k = 0.0000 0.1553-0.0000 ( 5995 PWs) bands (ev): -36.6575 -36.6575 -36.6565 -36.6565 -17.9492 -17.9492 -17.9238 -17.9238 -17.5947 -17.5947 -17.5569 -17.5569 -17.5503 -17.5503 -17.5362 -17.5362 -11.2581 -11.2581 -10.9324 -10.9324 -10.8511 -10.8511 -10.8097 -10.8097 -0.7966 -0.7966 -0.1254 -0.1254 0.1134 0.1134 0.4249 0.4249 0.5163 0.5163 0.5605 0.5605 0.6993 0.6993 0.7675 0.7675 1.2194 1.2194 1.3174 1.3174 1.5655 1.5655 1.7249 1.7249 7.3038 7.3038 7.5271 7.5271 8.0916 8.0916 8.1126 8.1126 8.2446 8.2447 k = 0.0000 0.1424-0.0000 ( 6003 PWs) bands (ev): -36.6576 -36.6576 -36.6565 -36.6565 -17.9498 -17.9498 -17.9232 -17.9232 -17.5956 -17.5956 -17.5560 -17.5560 -17.5505 -17.5505 -17.5359 -17.5359 -11.2670 -11.2670 -10.9290 -10.9290 -10.8467 -10.8467 -10.8077 -10.8077 -0.8182 -0.8182 -0.1093 -0.1093 0.0993 0.0993 0.4134 0.4134 0.5196 0.5196 0.5632 0.5632 0.6942 0.6942 0.7523 0.7523 1.2379 1.2379 1.3556 1.3556 1.5713 1.5713 1.7299 1.7299 7.2812 7.2812 7.5080 7.5080 8.0400 8.0400 8.0966 8.0966 8.2241 8.2241 k = 0.0000 0.1294-0.0000 ( 5991 PWs) bands (ev): -36.6576 -36.6576 -36.6564 -36.6564 -17.9504 -17.9504 -17.9226 -17.9226 -17.5965 -17.5965 -17.5552 -17.5552 -17.5507 -17.5507 -17.5355 -17.5355 -11.2752 -11.2752 -10.9265 -10.9265 -10.8419 -10.8419 -10.8059 -10.8059 -0.8384 -0.8384 -0.0945 -0.0945 0.0871 0.0871 0.4027 0.4027 0.5234 0.5234 0.5658 0.5658 0.6883 0.6883 0.7378 0.7378 1.2529 1.2529 1.3939 1.3939 1.5778 1.5778 1.7343 1.7343 7.2597 7.2597 7.4878 7.4878 7.9904 7.9904 8.0818 8.0818 8.2078 8.2078 k = 0.0000 0.1165-0.0000 ( 5991 PWs) bands (ev): -36.6576 -36.6576 -36.6564 -36.6564 -17.9510 -17.9510 -17.9220 -17.9220 -17.5973 -17.5973 -17.5545 -17.5545 -17.5509 -17.5509 -17.5351 -17.5351 -11.2827 -11.2827 -10.9249 -10.9249 -10.8369 -10.8369 -10.8042 -10.8042 -0.8571 -0.8571 -0.0811 -0.0811 0.0768 0.0768 0.3927 0.3927 0.5277 0.5277 0.5683 0.5683 0.6818 0.6818 0.7242 0.7242 1.2654 1.2654 1.4305 1.4305 1.5847 1.5847 1.7381 1.7381 7.2396 7.2396 7.4669 7.4669 7.9447 7.9447 8.0682 8.0682 8.1941 8.1942 k = 0.0000 0.1036-0.0000 ( 5995 PWs) bands (ev): -36.6576 -36.6576 -36.6564 -36.6564 -17.9515 -17.9515 -17.9215 -17.9215 -17.5980 -17.5980 -17.5540 -17.5540 -17.5509 -17.5509 -17.5348 -17.5348 -11.2895 -11.2895 -10.9238 -10.9238 -10.8319 -10.8319 -10.8026 -10.8026 -0.8741 -0.8741 -0.0692 -0.0692 0.0683 0.0683 0.3836 0.3836 0.5326 0.5326 0.5706 0.5706 0.6747 0.6747 0.7117 0.7117 1.2762 1.2762 1.4642 1.4642 1.5922 1.5922 1.7413 1.7413 7.2210 7.2210 7.4457 7.4457 7.9037 7.9037 8.0558 8.0558 8.1825 8.1826 k = 0.0000 0.0906-0.0000 ( 6009 PWs) bands (ev): -36.6577 -36.6577 -36.6564 -36.6564 -17.9520 -17.9520 -17.9211 -17.9211 -17.5987 -17.5987 -17.5537 -17.5537 -17.5508 -17.5508 -17.5346 -17.5346 -11.2955 -11.2955 -10.9232 -10.9232 -10.8272 -10.8272 -10.8012 -10.8012 -0.8895 -0.8895 -0.0589 -0.0589 0.0615 0.0615 0.3753 0.3753 0.5379 0.5379 0.5727 0.5727 0.6669 0.6669 0.7006 0.7006 1.2855 1.2855 1.4943 1.4943 1.6001 1.6001 1.7439 1.7439 7.2041 7.2041 7.4248 7.4248 7.8680 7.8680 8.0447 8.0447 8.1726 8.1726 k = 0.0000 0.0777-0.0000 ( 6011 PWs) bands (ev): -36.6577 -36.6577 -36.6564 -36.6564 -17.9524 -17.9524 -17.9207 -17.9207 -17.5993 -17.5993 -17.5535 -17.5535 -17.5506 -17.5506 -17.5344 -17.5344 -11.3008 -11.3008 -10.9228 -10.9228 -10.8229 -10.8229 -10.7999 -10.7999 -0.9030 -0.9030 -0.0503 -0.0503 0.0565 0.0565 0.3681 0.3681 0.5437 0.5437 0.5746 0.5746 0.6585 0.6585 0.6911 0.6911 1.2934 1.2934 1.5199 1.5199 1.6087 1.6087 1.7460 1.7460 7.1891 7.1891 7.4047 7.4047 7.8375 7.8375 8.0351 8.0351 8.1642 8.1642 k = 0.0000 0.0647-0.0000 ( 6015 PWs) bands (ev): -36.6577 -36.6577 -36.6564 -36.6564 -17.9527 -17.9527 -17.9204 -17.9204 -17.5998 -17.5998 -17.5534 -17.5534 -17.5503 -17.5503 -17.5342 -17.5342 -11.3053 -11.3053 -10.9226 -10.9226 -10.8191 -10.8191 -10.7988 -10.7988 -0.9146 -0.9146 -0.0435 -0.0435 0.0529 0.0529 0.3619 0.3619 0.5498 0.5498 0.5762 0.5762 0.6494 0.6494 0.6834 0.6834 1.3001 1.3001 1.5405 1.5405 1.6178 1.6178 1.7477 1.7477 7.1762 7.1762 7.3862 7.3862 7.8124 7.8124 8.0269 8.0269 8.1572 8.1572 k = 0.0000 0.0518-0.0000 ( 6013 PWs) bands (ev): -36.6577 -36.6577 -36.6564 -36.6564 -17.9530 -17.9530 -17.9201 -17.9201 -17.6002 -17.6002 -17.5534 -17.5534 -17.5500 -17.5500 -17.5340 -17.5340 -11.3090 -11.3090 -10.9226 -10.9226 -10.8160 -10.8160 -10.7978 -10.7978 -0.9242 -0.9242 -0.0383 -0.0383 0.0506 0.0506 0.3567 0.3567 0.5563 0.5563 0.5776 0.5776 0.6402 0.6402 0.6773 0.6773 1.3056 1.3056 1.5561 1.5561 1.6273 1.6273 1.7490 1.7490 7.1654 7.1654 7.3700 7.3700 7.7922 7.7922 8.0201 8.0201 8.1515 8.1516 k = 0.0000 0.0388-0.0000 ( 6007 PWs) bands (ev): -36.6577 -36.6577 -36.6564 -36.6564 -17.9532 -17.9532 -17.9198 -17.9198 -17.6005 -17.6005 -17.5534 -17.5534 -17.5498 -17.5498 -17.5339 -17.5339 -11.3119 -11.3119 -10.9226 -10.9226 -10.8135 -10.8135 -10.7971 -10.7971 -0.9317 -0.9317 -0.0346 -0.0346 0.0493 0.0493 0.3526 0.3526 0.5629 0.5629 0.5787 0.5787 0.6312 0.6312 0.6727 0.6727 1.3098 1.3098 1.5670 1.5670 1.6362 1.6362 1.7500 1.7500 7.1570 7.1570 7.3566 7.3566 7.7769 7.7769 8.0149 8.0149 8.1471 8.1473 k = 0.0000 0.0259-0.0000 ( 6011 PWs) bands (ev): -36.6577 -36.6577 -36.6563 -36.6563 -17.9533 -17.9533 -17.9197 -17.9197 -17.6007 -17.6007 -17.5534 -17.5534 -17.5496 -17.5496 -17.5338 -17.5338 -11.3140 -11.3140 -10.9226 -10.9226 -10.8116 -10.8116 -10.7965 -10.7965 -0.9371 -0.9371 -0.0322 -0.0322 0.0487 0.0487 0.3497 0.3497 0.5691 0.5691 0.5794 0.5794 0.6231 0.6231 0.6695 0.6695 1.3128 1.3128 1.5740 1.5740 1.6435 1.6435 1.7506 1.7506 7.1508 7.1508 7.3467 7.3467 7.7661 7.7661 8.0111 8.0111 8.1440 8.1440 k = 0.0000 0.0129-0.0000 ( 6015 PWs) bands (ev): -36.6577 -36.6577 -36.6563 -36.6563 -17.9534 -17.9534 -17.9196 -17.9196 -17.6009 -17.6009 -17.5535 -17.5535 -17.5495 -17.5495 -17.5337 -17.5337 -11.3152 -11.3152 -10.9226 -10.9226 -10.8106 -10.8106 -10.7962 -10.7962 -0.9404 -0.9404 -0.0309 -0.0309 0.0485 0.0485 0.3479 0.3479 0.5740 0.5740 0.5799 0.5799 0.6169 0.6169 0.6676 0.6676 1.3146 1.3146 1.5780 1.5780 1.6483 1.6483 1.7510 1.7510 7.1472 7.1472 7.3405 7.3405 7.7597 7.7597 8.0088 8.0088 8.1421 8.1423 k = 0.0000 0.0000 0.0000 ( 6015 PWs) bands (ev): -36.6577 -36.6577 -36.6563 -36.6563 -17.9535 -17.9535 -17.9196 -17.9196 -17.6009 -17.6009 -17.5535 -17.5535 -17.5494 -17.5494 -17.5337 -17.5337 -11.3156 -11.3156 -10.9226 -10.9226 -10.8102 -10.8102 -10.7961 -10.7961 -0.9415 -0.9415 -0.0305 -0.0305 0.0485 0.0485 0.3474 0.3474 0.5760 0.5760 0.5801 0.5801 0.6145 0.6145 0.6670 0.6670 1.3152 1.3152 1.5792 1.5792 1.6499 1.6499 1.7511 1.7511 7.1459 7.1459 7.3384 7.3384 7.7576 7.7576 8.0080 8.0080 8.1415 8.1415 k = 0.0000 0.0000 0.0000 ( 6015 PWs) bands (ev): -36.6577 -36.6577 -36.6563 -36.6563 -17.9535 -17.9535 -17.9196 -17.9196 -17.6009 -17.6009 -17.5535 -17.5535 -17.5494 -17.5494 -17.5337 -17.5337 -11.3156 -11.3156 -10.9226 -10.9226 -10.8102 -10.8102 -10.7961 -10.7961 -0.9415 -0.9415 -0.0305 -0.0305 0.0485 0.0485 0.3474 0.3474 0.5760 0.5760 0.5801 0.5801 0.6145 0.6145 0.6670 0.6670 1.3152 1.3152 1.5792 1.5792 1.6499 1.6499 1.7511 1.7511 7.1459 7.1459 7.3384 7.3384 7.7576 7.7576 8.0080 8.0080 8.1415 8.1415 k = 0.0000 0.0000 0.0131 ( 6019 PWs) bands (ev): -36.6577 -36.6577 -36.6564 -36.6564 -17.9534 -17.9534 -17.9196 -17.9196 -17.6009 -17.6009 -17.5535 -17.5535 -17.5495 -17.5495 -17.5337 -17.5337 -11.3152 -11.3152 -10.9227 -10.9227 -10.8103 -10.8103 -10.7964 -10.7964 -0.9402 -0.9402 -0.0303 -0.0303 0.0491 0.0491 0.3478 0.3478 0.5706 0.5706 0.5859 0.5859 0.6144 0.6144 0.6667 0.6667 1.3145 1.3145 1.5776 1.5776 1.6485 1.6485 1.7503 1.7503 7.1472 7.1472 7.3406 7.3406 7.7594 7.7594 8.0093 8.0093 8.1415 8.1416 k = 0.0000 0.0000 0.0261 ( 6029 PWs) bands (ev): -36.6577 -36.6577 -36.6564 -36.6564 -17.9534 -17.9534 -17.9197 -17.9197 -17.6007 -17.6007 -17.5535 -17.5535 -17.5496 -17.5496 -17.5338 -17.5338 -11.3139 -11.3139 -10.9230 -10.9230 -10.8105 -10.8105 -10.7973 -10.7973 -0.9363 -0.9363 -0.0300 -0.0300 0.0510 0.0510 0.3491 0.3491 0.5640 0.5640 0.5937 0.5937 0.6138 0.6138 0.6659 0.6659 1.3122 1.3122 1.5727 1.5727 1.6445 1.6445 1.7478 1.7478 7.1511 7.1511 7.3469 7.3469 7.7647 7.7647 8.0132 8.0132 8.1418 8.1418 k = 0.0000 0.0000 0.0392 ( 6033 PWs) bands (ev): -36.6577 -36.6577 -36.6564 -36.6564 -17.9532 -17.9532 -17.9199 -17.9199 -17.6005 -17.6005 -17.5534 -17.5534 -17.5498 -17.5498 -17.5339 -17.5339 -11.3117 -11.3117 -10.9236 -10.9236 -10.8109 -10.8109 -10.7988 -10.7988 -0.9298 -0.9298 -0.0296 -0.0296 0.0543 0.0543 0.3513 0.3513 0.5580 0.5580 0.6017 0.6017 0.6129 0.6129 0.6649 0.6649 1.3084 1.3084 1.5641 1.5641 1.6382 1.6382 1.7437 1.7437 7.1574 7.1574 7.3570 7.3570 7.7737 7.7737 8.0197 8.0197 8.1423 8.1424 k = 0.0000 0.0000 0.0523 ( 6025 PWs) bands (ev): -36.6577 -36.6577 -36.6564 -36.6564 -17.9530 -17.9530 -17.9201 -17.9201 -17.6002 -17.6002 -17.5534 -17.5534 -17.5501 -17.5501 -17.5340 -17.5340 -11.3087 -11.3087 -10.9244 -10.9244 -10.8115 -10.8115 -10.8008 -10.8008 -0.9207 -0.9207 -0.0293 -0.0293 0.0591 0.0591 0.3543 0.3543 0.5525 0.5525 0.6090 0.6090 0.6119 0.6119 0.6641 0.6641 1.3031 1.3031 1.5513 1.5513 1.6304 1.6304 1.7380 1.7380 7.1663 7.1663 7.3706 7.3706 7.7865 7.7865 8.0286 8.0286 8.1436 8.1436 k = 0.0000 0.0000 0.0653 ( 6017 PWs) bands (ev): -36.6577 -36.6577 -36.6564 -36.6564 -17.9527 -17.9527 -17.9204 -17.9204 -17.5997 -17.5997 -17.5534 -17.5534 -17.5504 -17.5504 -17.5342 -17.5342 -11.3048 -11.3048 -10.9255 -10.9255 -10.8123 -10.8123 -10.8032 -10.8032 -0.9092 -0.9092 -0.0293 -0.0293 0.0656 0.0656 0.3582 0.3582 0.5476 0.5476 0.6097 0.6097 0.6158 0.6158 0.6645 0.6645 1.2964 1.2964 1.5341 1.5341 1.6217 1.6217 1.7307 1.7307 7.1775 7.1775 7.3870 7.3870 7.8033 7.8033 8.0400 8.0400 8.1457 8.1457 k = 0.0000 0.0000 0.0784 ( 6010 PWs) bands (ev): -36.6577 -36.6577 -36.6564 -36.6564 -17.9523 -17.9523 -17.9208 -17.9208 -17.5992 -17.5992 -17.5535 -17.5535 -17.5506 -17.5506 -17.5344 -17.5344 -11.3001 -11.3001 -10.9270 -10.9270 -10.8135 -10.8135 -10.8059 -10.8059 -0.8952 -0.8952 -0.0299 -0.0299 0.0738 0.0738 0.3629 0.3629 0.5433 0.5433 0.6076 0.6076 0.6196 0.6196 0.6673 0.6673 1.2881 1.2881 1.5124 1.5124 1.6125 1.6125 1.7220 1.7220 7.1909 7.1909 7.4054 7.4054 7.8244 7.8244 8.0538 8.0538 8.1491 8.1491 k = 0.0000 0.0000 0.0914 ( 6006 PWs) bands (ev): -36.6576 -36.6576 -36.6564 -36.6564 -17.9518 -17.9518 -17.9212 -17.9212 -17.5985 -17.5985 -17.5537 -17.5537 -17.5508 -17.5508 -17.5347 -17.5347 -11.2946 -11.2946 -10.9289 -10.9289 -10.8151 -10.8151 -10.8085 -10.8085 -0.8788 -0.8788 -0.0313 -0.0313 0.0839 0.0839 0.3684 0.3684 0.5396 0.5396 0.6050 0.6050 0.6205 0.6205 0.6734 0.6734 1.2784 1.2784 1.4862 1.4862 1.6031 1.6031 1.7120 1.7120 7.2064 7.2064 7.4249 7.4249 7.8498 7.8498 8.0697 8.0697 8.1544 8.1545 k = 0.0000 0.0000 0.1045 ( 6002 PWs) bands (ev): -36.6576 -36.6576 -36.6564 -36.6564 -17.9514 -17.9514 -17.9217 -17.9217 -17.5978 -17.5978 -17.5541 -17.5541 -17.5509 -17.5509 -17.5350 -17.5350 -11.2883 -11.2883 -10.9314 -10.9314 -10.8174 -10.8174 -10.8107 -10.8107 -0.8601 -0.8601 -0.0337 -0.0337 0.0959 0.0959 0.3747 0.3747 0.5365 0.5365 0.6017 0.6017 0.6187 0.6187 0.6826 0.6826 1.2672 1.2672 1.4561 1.4561 1.5935 1.5935 1.7007 1.7007 7.2237 7.2237 7.4448 7.4448 7.8795 7.8795 8.0877 8.0877 8.1623 8.1623 k = 0.0000 0.0000 0.1176 ( 6010 PWs) bands (ev): -36.6576 -36.6576 -36.6564 -36.6564 -17.9508 -17.9508 -17.9222 -17.9222 -17.5971 -17.5971 -17.5547 -17.5547 -17.5509 -17.5509 -17.5353 -17.5353 -11.2812 -11.2812 -10.9345 -10.9345 -10.8204 -10.8204 -10.8126 -10.8126 -0.8392 -0.8392 -0.0372 -0.0372 0.1099 0.1099 0.3817 0.3817 0.5339 0.5339 0.5976 0.5976 0.6153 0.6153 0.6940 0.6940 1.2544 1.2544 1.4226 1.4226 1.5837 1.5837 1.6883 1.6883 7.2426 7.2426 7.4642 7.4642 7.9131 7.9131 8.1076 8.1076 8.1736 8.1736 k = 0.0000 0.0000 0.1306 ( 6014 PWs) bands (ev): -36.6576 -36.6576 -36.6565 -36.6565 -17.9502 -17.9502 -17.9228 -17.9228 -17.5962 -17.5962 -17.5555 -17.5555 -17.5507 -17.5507 -17.5357 -17.5357 -11.2733 -11.2733 -10.9383 -10.9383 -10.8237 -10.8237 -10.8141 -10.8141 -0.8162 -0.8162 -0.0421 -0.0421 0.1257 0.1257 0.3894 0.3894 0.5319 0.5319 0.5927 0.5927 0.6113 0.6113 0.7069 0.7069 1.2399 1.2399 1.3863 1.3863 1.5738 1.5738 1.6750 1.6750 7.2630 7.2630 7.4826 7.4826 7.9495 7.9495 8.1292 8.1292 8.1894 8.1894 k = 0.0000 0.0000 0.1437 ( 6008 PWs) bands (ev): -36.6576 -36.6576 -36.6565 -36.6565 -17.9496 -17.9496 -17.9235 -17.9235 -17.5952 -17.5952 -17.5564 -17.5564 -17.5505 -17.5505 -17.5360 -17.5360 -11.2648 -11.2648 -10.9429 -10.9429 -10.8271 -10.8271 -10.8156 -10.8156 -0.7913 -0.7913 -0.0483 -0.0483 0.1433 0.1433 0.3978 0.3978 0.5305 0.5305 0.5869 0.5869 0.6071 0.6071 0.7211 0.7211 1.2234 1.2234 1.3481 1.3481 1.5639 1.5639 1.6609 1.6609 7.2845 7.2845 7.4995 7.4995 7.9875 7.9875 8.1523 8.1523 8.2112 8.2112 k = 0.0000 0.0000 0.1568 ( 6004 PWs) bands (ev): -36.6575 -36.6575 -36.6565 -36.6565 -17.9489 -17.9489 -17.9242 -17.9242 -17.5942 -17.5942 -17.5574 -17.5574 -17.5502 -17.5502 -17.5364 -17.5364 -11.2555 -11.2555 -10.9484 -10.9484 -10.8302 -10.8302 -10.8170 -10.8170 -0.7645 -0.7645 -0.0562 -0.0562 0.1628 0.1628 0.4067 0.4067 0.5295 0.5295 0.5805 0.5805 0.6031 0.6031 0.7361 0.7361 1.2044 1.2044 1.3090 1.3090 1.5540 1.5540 1.6463 1.6463 7.3069 7.3069 7.5146 7.5146 8.0248 8.0248 8.1765 8.1765 8.2405 8.2405 k = 0.0000 0.0000 0.1698 ( 6008 PWs) bands (ev): -36.6575 -36.6575 -36.6565 -36.6565 -17.9481 -17.9481 -17.9249 -17.9249 -17.5931 -17.5931 -17.5585 -17.5585 -17.5498 -17.5498 -17.5369 -17.5369 -11.2457 -11.2457 -10.9549 -10.9549 -10.8331 -10.8331 -10.8185 -10.8185 -0.7360 -0.7360 -0.0658 -0.0658 0.1838 0.1838 0.4163 0.4163 0.5289 0.5289 0.5736 0.5736 0.5991 0.5991 0.7520 0.7520 1.1816 1.1816 1.2707 1.2707 1.5442 1.5442 1.6312 1.6312 7.3299 7.3299 7.5278 7.5278 8.0597 8.0597 8.2017 8.2017 8.2735 8.2765 k = 0.0000 0.0000 0.1829 ( 6006 PWs) bands (ev): -36.6575 -36.6575 -36.6566 -36.6566 -17.9474 -17.9474 -17.9257 -17.9257 -17.5920 -17.5920 -17.5597 -17.5597 -17.5494 -17.5494 -17.5373 -17.5373 -11.2351 -11.2351 -10.9623 -10.9623 -10.8356 -10.8356 -10.8199 -10.8199 -0.7061 -0.7061 -0.0773 -0.0773 0.2064 0.2064 0.4265 0.4265 0.5287 0.5287 0.5667 0.5667 0.5952 0.5952 0.7686 0.7686 1.1535 1.1535 1.2354 1.2354 1.5346 1.5346 1.6160 1.6160 7.3532 7.3532 7.5392 7.5392 8.0912 8.0912 8.2275 8.2275 8.2893 8.2893 k = 0.0000 0.0000 0.1960 ( 6004 PWs) bands (ev): -36.6575 -36.6575 -36.6566 -36.6566 -17.9465 -17.9465 -17.9265 -17.9265 -17.5907 -17.5907 -17.5610 -17.5610 -17.5490 -17.5490 -17.5378 -17.5378 -11.2241 -11.2241 -10.9708 -10.9708 -10.8375 -10.8375 -10.8214 -10.8214 -0.6747 -0.6747 -0.0907 -0.0907 0.2304 0.2304 0.4372 0.4372 0.5284 0.5284 0.5603 0.5603 0.5914 0.5914 0.7859 0.7859 1.1189 1.1189 1.2047 1.2047 1.5255 1.5255 1.6007 1.6007 7.3764 7.3764 7.5487 7.5487 8.1195 8.1195 8.2534 8.2534 8.3053 8.3053 k = 0.0000 0.0000 0.2090 ( 6010 PWs) bands (ev): -36.6574 -36.6574 -36.6566 -36.6566 -17.9457 -17.9457 -17.9274 -17.9274 -17.5894 -17.5894 -17.5623 -17.5623 -17.5486 -17.5486 -17.5383 -17.5383 -11.2125 -11.2125 -10.9802 -10.9802 -10.8390 -10.8390 -10.8230 -10.8230 -0.6422 -0.6422 -0.1061 -0.1061 0.2556 0.2556 0.4484 0.4484 0.5276 0.5276 0.5551 0.5551 0.5876 0.5876 0.8037 0.8037 1.0784 1.0784 1.1782 1.1782 1.5170 1.5170 1.5857 1.5857 7.3993 7.3993 7.5565 7.5565 8.1454 8.1454 8.2791 8.2792 8.3215 8.3215 k = 0.0000 0.0000 0.2221 ( 6010 PWs) bands (ev): -36.6574 -36.6574 -36.6566 -36.6566 -17.9447 -17.9447 -17.9284 -17.9284 -17.5881 -17.5881 -17.5637 -17.5637 -17.5481 -17.5481 -17.5389 -17.5389 -11.2004 -11.2004 -10.9904 -10.9904 -10.8401 -10.8401 -10.8246 -10.8246 -0.6088 -0.6088 -0.1237 -0.1237 0.2816 0.2816 0.4603 0.4603 0.5254 0.5254 0.5521 0.5521 0.5838 0.5838 0.8221 0.8221 1.0343 1.0343 1.1545 1.1545 1.5093 1.5093 1.5711 1.5711 7.4215 7.4215 7.5626 7.5626 8.1701 8.1701 8.3042 8.3042 8.3376 8.3376 k = 0.0000 0.0000 0.2351 ( 6004 PWs) bands (ev): -36.6574 -36.6574 -36.6567 -36.6567 -17.9438 -17.9438 -17.9293 -17.9293 -17.5867 -17.5867 -17.5651 -17.5651 -17.5475 -17.5475 -17.5394 -17.5394 -11.1878 -11.1878 -11.0014 -11.0014 -10.8407 -10.8407 -10.8262 -10.8262 -0.5746 -0.5746 -0.1433 -0.1433 0.3081 0.3081 0.4726 0.4726 0.5211 0.5211 0.5522 0.5522 0.5800 0.5800 0.8409 0.8409 0.9881 0.9881 1.1322 1.1322 1.5024 1.5024 1.5572 1.5572 7.4429 7.4429 7.5670 7.5670 8.1942 8.1942 8.3280 8.3280 8.3534 8.3534 k = 0.0000 0.0000 0.2482 ( 5996 PWs) bands (ev): -36.6573 -36.6573 -36.6567 -36.6567 -17.9428 -17.9428 -17.9303 -17.9303 -17.5852 -17.5852 -17.5666 -17.5666 -17.5470 -17.5470 -17.5400 -17.5400 -11.1749 -11.1749 -11.0132 -11.0132 -10.8409 -10.8409 -10.8278 -10.8278 -0.5398 -0.5398 -0.1649 -0.1649 0.3346 0.3346 0.4854 0.4854 0.5152 0.5152 0.5552 0.5552 0.5765 0.5765 0.8601 0.8601 0.9414 0.9414 1.1105 1.1105 1.4967 1.4967 1.5440 1.5440 7.4631 7.4631 7.5697 7.5697 8.2183 8.2183 8.3500 8.3501 8.3685 8.3685 k = 0.0000 0.0000 0.2613 ( 6000 PWs) bands (ev): -36.6573 -36.6573 -36.6567 -36.6567 -17.9418 -17.9418 -17.9313 -17.9313 -17.5837 -17.5837 -17.5681 -17.5681 -17.5465 -17.5465 -17.5406 -17.5406 -11.1617 -11.1617 -11.0255 -11.0255 -10.8408 -10.8408 -10.8293 -10.8293 -0.5048 -0.5048 -0.1886 -0.1886 0.3604 0.3604 0.4977 0.4977 0.5089 0.5089 0.5602 0.5602 0.5743 0.5743 0.8782 0.8782 0.8960 0.8960 1.0891 1.0891 1.4921 1.4921 1.5319 1.5319 7.4819 7.4819 7.5708 7.5708 8.2427 8.2427 8.3698 8.3698 8.3825 8.3825 k = 0.0000 0.0000 0.2743 ( 5996 PWs) bands (ev): -36.6573 -36.6573 -36.6567 -36.6567 -17.9408 -17.9408 -17.9323 -17.9323 -17.5822 -17.5822 -17.5696 -17.5696 -17.5459 -17.5459 -17.5411 -17.5411 -11.1482 -11.1482 -11.0383 -11.0383 -10.8404 -10.8404 -10.8309 -10.8309 -0.4697 -0.4697 -0.2143 -0.2143 0.3847 0.3847 0.4985 0.4985 0.5126 0.5126 0.5626 0.5626 0.5790 0.5790 0.8472 0.8472 0.9008 0.9008 1.0678 1.0678 1.4890 1.4890 1.5210 1.5210 7.4991 7.4991 7.5702 7.5702 8.2675 8.2675 8.3867 8.3867 8.3949 8.3949 k = 0.0000 0.0000 0.2874 ( 6004 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9397 -17.9397 -17.9334 -17.9334 -17.5807 -17.5807 -17.5712 -17.5712 -17.5453 -17.5453 -17.5417 -17.5417 -11.1345 -11.1345 -11.0515 -11.0515 -10.8398 -10.8398 -10.8325 -10.8325 -0.4348 -0.4348 -0.2417 -0.2417 0.4068 0.4068 0.4903 0.4903 0.5230 0.5230 0.5599 0.5599 0.5942 0.5942 0.8024 0.8024 0.9208 0.9208 1.0466 1.0466 1.4873 1.4873 1.5115 1.5115 7.5146 7.5146 7.5678 7.5678 8.2929 8.2929 8.4002 8.4002 8.4053 8.4053 k = 0.0000 0.0000 0.3005 ( 6002 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9387 -17.9387 -17.9344 -17.9344 -17.5792 -17.5792 -17.5728 -17.5728 -17.5448 -17.5448 -17.5423 -17.5423 -11.1206 -11.1206 -11.0650 -11.0650 -10.8389 -10.8389 -10.8339 -10.8339 -0.4002 -0.4002 -0.2708 -0.2708 0.4263 0.4263 0.4807 0.4807 0.5320 0.5320 0.5557 0.5557 0.6170 0.6170 0.7591 0.7591 0.9414 0.9414 1.0253 1.0253 1.4872 1.4872 1.5034 1.5034 7.5282 7.5282 7.5637 7.5637 8.3190 8.3190 8.4098 8.4098 8.4131 8.4132 k = 0.0000 0.0000 0.3135 ( 6002 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9376 -17.9376 -17.9354 -17.9354 -17.5776 -17.5776 -17.5743 -17.5743 -17.5442 -17.5442 -17.5429 -17.5429 -11.1066 -11.1066 -11.0788 -11.0788 -10.8379 -10.8379 -10.8354 -10.8354 -0.3664 -0.3664 -0.3014 -0.3014 0.4431 0.4431 0.4699 0.4699 0.5393 0.5393 0.5508 0.5508 0.6461 0.6461 0.7181 0.7181 0.9621 0.9621 1.0042 1.0042 1.4887 1.4887 1.4968 1.4968 7.5400 7.5400 7.5577 7.5577 8.3459 8.3459 8.4013 8.4014 8.4176 8.4180 k = 0.0000 0.0000 0.3266 ( 6006 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9363 -17.9363 -17.5762 -17.5762 -17.5758 -17.5758 -17.5438 -17.5438 -17.5433 -17.5433 -11.0927 -11.0927 -11.0927 -11.0927 -10.8367 -10.8367 -10.8366 -10.8366 -0.3334 -0.3334 -0.3333 -0.3333 0.4574 0.4574 0.4575 0.4575 0.5454 0.5454 0.5455 0.5455 0.6801 0.6801 0.6801 0.6801 0.9830 0.9830 0.9832 0.9832 1.4919 1.4919 1.4919 1.4919 7.5497 7.5497 7.5498 7.5498 8.3733 8.3733 8.3736 8.3736 8.4195 8.4196 k = 0.0000 0.0000 0.3266 ( 6006 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9363 -17.9363 -17.5762 -17.5762 -17.5758 -17.5758 -17.5438 -17.5438 -17.5433 -17.5433 -11.0927 -11.0927 -11.0927 -11.0927 -10.8367 -10.8367 -10.8366 -10.8366 -0.3334 -0.3334 -0.3333 -0.3333 0.4574 0.4574 0.4575 0.4575 0.5454 0.5454 0.5455 0.5455 0.6801 0.6801 0.6801 0.6801 0.9830 0.9830 0.9832 0.9832 1.4919 1.4919 1.4919 1.4919 7.5497 7.5497 7.5498 7.5498 8.3733 8.3733 8.3736 8.3736 8.4194 8.4196 k = 0.0132-0.0000 0.3266 ( 6006 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9370 -17.9370 -17.9362 -17.9362 -17.5762 -17.5762 -17.5757 -17.5757 -17.5441 -17.5441 -17.5431 -17.5431 -11.0924 -11.0924 -11.0923 -11.0923 -10.8368 -10.8368 -10.8367 -10.8367 -0.3331 -0.3331 -0.3324 -0.3324 0.4545 0.4545 0.4578 0.4578 0.5429 0.5429 0.5465 0.5465 0.6778 0.6778 0.6818 0.6818 0.9812 0.9812 0.9856 0.9856 1.4908 1.4908 1.4935 1.4935 7.5521 7.5521 7.5522 7.5522 8.3655 8.3655 8.3697 8.3697 8.4213 8.4222 k = 0.0263-0.0000 0.3266 ( 6006 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9373 -17.9373 -17.9359 -17.9359 -17.5762 -17.5762 -17.5757 -17.5757 -17.5448 -17.5448 -17.5430 -17.5430 -11.0916 -11.0916 -11.0914 -11.0914 -10.8372 -10.8372 -10.8369 -10.8369 -0.3317 -0.3317 -0.3303 -0.3303 0.4491 0.4491 0.4556 0.4556 0.5391 0.5391 0.5461 0.5461 0.6748 0.6748 0.6828 0.6828 0.9801 0.9801 0.9886 0.9886 1.4900 1.4900 1.4953 1.4953 7.5591 7.5591 7.5594 7.5594 8.3507 8.3507 8.3565 8.3565 8.4296 8.4296 k = 0.0395-0.0000 0.3266 ( 6016 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9377 -17.9377 -17.9358 -17.9358 -17.5761 -17.5761 -17.5756 -17.5756 -17.5457 -17.5457 -17.5430 -17.5430 -11.0902 -11.0902 -11.0900 -11.0900 -10.8377 -10.8377 -10.8372 -10.8372 -0.3291 -0.3291 -0.3270 -0.3270 0.4411 0.4411 0.4508 0.4508 0.5340 0.5340 0.5442 0.5442 0.6713 0.6713 0.6831 0.6831 0.9798 0.9798 0.9920 0.9920 1.4896 1.4896 1.4974 1.4974 7.5708 7.5708 7.5712 7.5712 8.3323 8.3323 8.3384 8.3384 8.4396 8.4398 k = 0.0526-0.0000 0.3266 ( 6006 PWs) bands (ev): -36.6572 -36.6572 -36.6567 -36.6567 -17.9382 -17.9382 -17.9356 -17.9356 -17.5761 -17.5761 -17.5754 -17.5754 -17.5466 -17.5466 -17.5431 -17.5431 -11.0882 -11.0882 -11.0879 -11.0879 -10.8384 -10.8384 -10.8378 -10.8378 -0.3254 -0.3254 -0.3226 -0.3226 0.4307 0.4307 0.4432 0.4432 0.5278 0.5278 0.5409 0.5409 0.6673 0.6673 0.6827 0.6827 0.9804 0.9804 0.9960 0.9960 1.4895 1.4895 1.4997 1.4997 7.5870 7.5870 7.5874 7.5874 8.3113 8.3113 8.3174 8.3174 8.4496 8.4497 k = 0.0658-0.0000 0.3266 ( 6010 PWs) bands (ev): -36.6572 -36.6572 -36.6567 -36.6567 -17.9387 -17.9387 -17.9354 -17.9354 -17.5760 -17.5760 -17.5753 -17.5753 -17.5477 -17.5477 -17.5434 -17.5434 -11.0856 -11.0856 -11.0853 -11.0853 -10.8393 -10.8393 -10.8385 -10.8385 -0.3206 -0.3206 -0.3171 -0.3171 0.4178 0.4178 0.4329 0.4329 0.5206 0.5206 0.5362 0.5362 0.6630 0.6630 0.6816 0.6816 0.9821 0.9821 1.0004 1.0004 1.4896 1.4896 1.5019 1.5019 7.6074 7.6074 7.6079 7.6079 8.2880 8.2880 8.2940 8.2940 8.4592 8.4594 k = 0.0789-0.0000 0.3266 ( 6010 PWs) bands (ev): -36.6571 -36.6571 -36.6566 -36.6566 -17.9392 -17.9392 -17.9354 -17.9354 -17.5759 -17.5759 -17.5751 -17.5751 -17.5490 -17.5490 -17.5439 -17.5439 -11.0825 -11.0825 -11.0822 -11.0822 -10.8404 -10.8404 -10.8394 -10.8394 -0.3147 -0.3147 -0.3105 -0.3105 0.4024 0.4024 0.4196 0.4196 0.5125 0.5125 0.5303 0.5303 0.6586 0.6586 0.6801 0.6801 0.9850 0.9850 1.0053 1.0053 1.4898 1.4898 1.5040 1.5040 7.6318 7.6318 7.6324 7.6324 8.2628 8.2628 8.2685 8.2685 8.4683 8.4683 k = 0.0921-0.0000 0.3266 ( 6002 PWs) bands (ev): -36.6571 -36.6571 -36.6566 -36.6566 -17.9398 -17.9398 -17.9353 -17.9353 -17.5757 -17.5757 -17.5749 -17.5749 -17.5503 -17.5503 -17.5444 -17.5444 -11.0789 -11.0789 -11.0785 -11.0785 -10.8416 -10.8416 -10.8405 -10.8405 -0.3078 -0.3078 -0.3029 -0.3029 0.3846 0.3846 0.4034 0.4034 0.5037 0.5037 0.5233 0.5233 0.6543 0.6543 0.6781 0.6781 0.9889 0.9889 1.0107 1.0107 1.4899 1.4899 1.5058 1.5058 7.6598 7.6598 7.6606 7.6606 8.2358 8.2358 8.2412 8.2412 8.4768 8.4769 k = 0.1053-0.0000 0.3266 ( 6012 PWs) bands (ev): -36.6570 -36.6570 -36.6565 -36.6565 -17.9405 -17.9405 -17.9353 -17.9353 -17.5756 -17.5756 -17.5748 -17.5748 -17.5517 -17.5517 -17.5451 -17.5451 -11.0749 -11.0749 -11.0744 -11.0744 -10.8429 -10.8429 -10.8417 -10.8417 -0.2999 -0.2999 -0.2943 -0.2943 0.3645 0.3645 0.3843 0.3843 0.4943 0.4943 0.5156 0.5156 0.6503 0.6503 0.6759 0.6759 0.9938 0.9938 1.0167 1.0167 1.4899 1.4899 1.5072 1.5072 7.6910 7.6910 7.6919 7.6919 8.2070 8.2070 8.2122 8.2122 8.4848 8.4849 k = 0.1184-0.0000 0.3266 ( 6016 PWs) bands (ev): -36.6569 -36.6569 -36.6565 -36.6565 -17.9411 -17.9411 -17.9354 -17.9354 -17.5754 -17.5754 -17.5748 -17.5748 -17.5531 -17.5531 -17.5459 -17.5459 -11.0703 -11.0703 -11.0698 -11.0698 -10.8444 -10.8444 -10.8430 -10.8430 -0.2911 -0.2911 -0.2849 -0.2849 0.3421 0.3421 0.3622 0.3622 0.4846 0.4846 0.5075 0.5075 0.6466 0.6466 0.6734 0.6734 0.9996 0.9996 1.0230 1.0230 1.4897 1.4897 1.5081 1.5081 7.7250 7.7250 7.7261 7.7261 8.1769 8.1769 8.1819 8.1819 8.4924 8.4942 k = 0.1316-0.0000 0.3266 ( 6018 PWs) bands (ev): -36.6569 -36.6569 -36.6564 -36.6564 -17.9419 -17.9419 -17.9354 -17.9354 -17.5753 -17.5753 -17.5748 -17.5748 -17.5545 -17.5545 -17.5468 -17.5468 -11.0653 -11.0653 -11.0648 -11.0648 -10.8460 -10.8460 -10.8444 -10.8444 -0.2814 -0.2814 -0.2746 -0.2746 0.3176 0.3176 0.3373 0.3373 0.4748 0.4748 0.4993 0.4993 0.6431 0.6431 0.6709 0.6709 1.0061 1.0061 1.0298 1.0298 1.4891 1.4891 1.5084 1.5084 7.7611 7.7611 7.7624 7.7624 8.1458 8.1458 8.1505 8.1505 8.4998 8.5028 k = 0.1447-0.0000 0.3266 ( 6012 PWs) bands (ev): -36.6568 -36.6568 -36.6563 -36.6563 -17.9426 -17.9426 -17.9355 -17.9355 -17.5752 -17.5752 -17.5749 -17.5749 -17.5559 -17.5559 -17.5478 -17.5478 -11.0600 -11.0600 -11.0594 -11.0594 -10.8478 -10.8478 -10.8460 -10.8460 -0.2711 -0.2711 -0.2636 -0.2636 0.2910 0.2910 0.3100 0.3100 0.4651 0.4651 0.4913 0.4913 0.6400 0.6400 0.6683 0.6683 1.0132 1.0132 1.0369 1.0369 1.4879 1.4879 1.5080 1.5080 7.7985 7.7985 7.8000 7.8000 8.1141 8.1141 8.1187 8.1187 8.5071 8.5088 k = 0.1579-0.0000 0.3266 ( 6004 PWs) bands (ev): -36.6567 -36.6567 -36.6562 -36.6562 -17.9434 -17.9434 -17.9357 -17.9357 -17.5755 -17.5755 -17.5749 -17.5749 -17.5571 -17.5571 -17.5488 -17.5488 -11.0543 -11.0543 -11.0536 -11.0536 -10.8496 -10.8496 -10.8476 -10.8476 -0.2600 -0.2600 -0.2520 -0.2520 0.2628 0.2628 0.2805 0.2805 0.4558 0.4558 0.4837 0.4837 0.6370 0.6370 0.6656 0.6656 1.0208 1.0208 1.0442 1.0442 1.4862 1.4862 1.5069 1.5069 7.8360 7.8360 7.8377 7.8377 8.0830 8.0830 8.0874 8.0874 8.5139 8.5148 k = 0.1711-0.0000 0.3266 ( 5996 PWs) bands (ev): -36.6566 -36.6566 -36.6562 -36.6562 -17.9442 -17.9442 -17.9359 -17.9359 -17.5760 -17.5760 -17.5748 -17.5748 -17.5581 -17.5581 -17.5498 -17.5498 -11.0483 -11.0483 -11.0476 -11.0476 -10.8515 -10.8515 -10.8493 -10.8493 -0.2485 -0.2485 -0.2400 -0.2400 0.2331 0.2331 0.2492 0.2492 0.4470 0.4470 0.4767 0.4767 0.6341 0.6341 0.6628 0.6628 1.0287 1.0287 1.0517 1.0517 1.4839 1.4839 1.5050 1.5050 7.8711 7.8711 7.8728 7.8728 8.0548 8.0548 8.0589 8.0589 8.5209 8.5232 k = 0.1842-0.0000 0.3266 ( 5996 PWs) bands (ev): -36.6565 -36.6565 -36.6561 -36.6561 -17.9450 -17.9450 -17.9361 -17.9361 -17.5769 -17.5769 -17.5747 -17.5747 -17.5589 -17.5589 -17.5508 -17.5508 -11.0420 -11.0420 -11.0413 -11.0413 -10.8534 -10.8534 -10.8511 -10.8511 -0.2365 -0.2365 -0.2277 -0.2277 0.2023 0.2023 0.2165 0.2165 0.4389 0.4389 0.4705 0.4705 0.6311 0.6311 0.6599 0.6599 1.0369 1.0369 1.0594 1.0594 1.4808 1.4808 1.5022 1.5022 7.8976 7.8976 7.8991 7.8991 8.0356 8.0356 8.0390 8.0390 8.5277 8.5283 k = 0.1974-0.0000 0.3266 ( 6000 PWs) bands (ev): -36.6564 -36.6564 -36.6560 -36.6560 -17.9459 -17.9459 -17.9364 -17.9364 -17.5780 -17.5780 -17.5747 -17.5747 -17.5594 -17.5594 -17.5518 -17.5518 -11.0356 -11.0356 -11.0349 -11.0349 -10.8554 -10.8554 -10.8529 -10.8529 -0.2243 -0.2243 -0.2154 -0.2154 0.1709 0.1709 0.1829 0.1829 0.4316 0.4316 0.4651 0.4651 0.6280 0.6280 0.6568 0.6568 1.0453 1.0453 1.0672 1.0672 1.4771 1.4771 1.4987 1.4987 7.9045 7.9045 7.9046 7.9046 8.0371 8.0371 8.0387 8.0387 8.5340 8.5344 k = 0.2105-0.0000 0.3266 ( 5988 PWs) bands (ev): -36.6563 -36.6563 -36.6559 -36.6559 -17.9468 -17.9468 -17.9367 -17.9367 -17.5794 -17.5794 -17.5748 -17.5748 -17.5597 -17.5597 -17.5528 -17.5528 -11.0290 -11.0290 -11.0282 -11.0282 -10.8574 -10.8574 -10.8548 -10.8548 -0.2121 -0.2121 -0.2033 -0.2033 0.1393 0.1393 0.1488 0.1488 0.4253 0.4253 0.4608 0.4608 0.6247 0.6247 0.6533 0.6533 1.0538 1.0538 1.0750 1.0750 1.4726 1.4726 1.4943 1.4943 7.8874 7.8874 7.8886 7.8886 8.0607 8.0607 8.0611 8.0611 8.5405 8.5408 k = 0.2237-0.0000 0.3266 ( 5990 PWs) bands (ev): -36.6563 -36.6563 -36.6558 -36.6558 -17.9478 -17.9478 -17.9371 -17.9371 -17.5810 -17.5810 -17.5749 -17.5749 -17.5598 -17.5598 -17.5536 -17.5536 -11.0222 -11.0222 -11.0215 -11.0215 -10.8594 -10.8594 -10.8566 -10.8566 -0.2001 -0.2001 -0.1919 -0.1919 0.1081 0.1081 0.1148 0.1148 0.4201 0.4201 0.4575 0.4575 0.6210 0.6210 0.6496 0.6496 1.0623 1.0623 1.0828 1.0828 1.4673 1.4673 1.4890 1.4890 7.8586 7.8586 7.8605 7.8605 8.0944 8.0944 8.0960 8.0960 8.5470 8.5521 k = 0.2368-0.0000 0.3266 ( 5986 PWs) bands (ev): -36.6562 -36.6562 -36.6557 -36.6557 -17.9487 -17.9487 -17.9375 -17.9375 -17.5828 -17.5828 -17.5752 -17.5752 -17.5597 -17.5597 -17.5544 -17.5544 -11.0155 -11.0155 -11.0148 -11.0148 -10.8613 -10.8613 -10.8584 -10.8584 -0.1888 -0.1888 -0.1817 -0.1817 0.0781 0.0781 0.0814 0.0814 0.4159 0.4159 0.4552 0.4552 0.6170 0.6170 0.6455 0.6455 1.0709 1.0709 1.0907 1.0907 1.4613 1.4613 1.4830 1.4830 7.8255 7.8255 7.8276 7.8276 8.1320 8.1320 8.1346 8.1346 8.5535 8.5536 k = 0.2500-0.0000 0.3266 ( 5998 PWs) bands (ev): -36.6561 -36.6561 -36.6556 -36.6556 -17.9497 -17.9497 -17.9379 -17.9379 -17.5847 -17.5847 -17.5756 -17.5756 -17.5594 -17.5594 -17.5550 -17.5550 -11.0087 -11.0087 -11.0080 -11.0080 -10.8633 -10.8633 -10.8601 -10.8601 -0.1786 -0.1786 -0.1736 -0.1736 0.0494 0.0494 0.0504 0.0504 0.4130 0.4130 0.4541 0.4541 0.6125 0.6125 0.6409 0.6409 1.0794 1.0794 1.0986 1.0986 1.4545 1.4545 1.4761 1.4761 7.7906 7.7906 7.7929 7.7929 8.1704 8.1704 8.1738 8.1738 8.5605 8.5645 k = 0.2632-0.0000 0.3266 ( 5992 PWs) bands (ev): -36.6560 -36.6560 -36.6555 -36.6555 -17.9507 -17.9507 -17.9384 -17.9384 -17.5867 -17.5867 -17.5762 -17.5762 -17.5591 -17.5591 -17.5555 -17.5555 -11.0020 -11.0020 -11.0014 -11.0014 -10.8651 -10.8651 -10.8618 -10.8618 -0.1705 -0.1705 -0.1688 -0.1688 0.0200 0.0200 0.0263 0.0263 0.4112 0.4112 0.4541 0.4541 0.6075 0.6075 0.6359 0.6359 1.0880 1.0880 1.1065 1.1065 1.4470 1.4470 1.4685 1.4685 7.7554 7.7554 7.7578 7.7578 8.2079 8.2079 8.2122 8.2122 8.5682 8.5713 k = 0.2763-0.0000 0.3266 ( 5992 PWs) bands (ev): -36.6559 -36.6559 -36.6554 -36.6554 -17.9517 -17.9517 -17.9388 -17.9388 -17.5887 -17.5887 -17.5768 -17.5768 -17.5587 -17.5587 -17.5559 -17.5559 -10.9955 -10.9955 -10.9949 -10.9949 -10.8668 -10.8668 -10.8633 -10.8633 -0.1690 -0.1690 -0.1661 -0.1661 -0.0052 -0.0052 0.0075 0.0075 0.4106 0.4106 0.4551 0.4551 0.6021 0.6021 0.6304 0.6304 1.0965 1.0965 1.1144 1.1144 1.4389 1.4389 1.4602 1.4602 7.7204 7.7204 7.7228 7.7228 8.2434 8.2434 8.2488 8.2488 8.5767 8.5772 k = 0.2895-0.0000 0.3266 ( 6000 PWs) bands (ev): -36.6558 -36.6558 -36.6553 -36.6553 -17.9526 -17.9526 -17.9393 -17.9393 -17.5907 -17.5907 -17.5776 -17.5776 -17.5582 -17.5582 -17.5562 -17.5562 -10.9891 -10.9891 -10.9886 -10.9886 -10.8684 -10.8684 -10.8647 -10.8647 -0.1755 -0.1755 -0.1674 -0.1674 -0.0239 -0.0239 -0.0043 -0.0043 0.4111 0.4111 0.4572 0.4572 0.5962 0.5962 0.6244 0.6244 1.1050 1.1050 1.1223 1.1223 1.4301 1.4301 1.4513 1.4513 7.6860 7.6860 7.6883 7.6883 8.2763 8.2763 8.2827 8.2827 8.5866 8.5886 k = 0.3026-0.0000 0.3266 ( 5984 PWs) bands (ev): -36.6557 -36.6557 -36.6552 -36.6552 -17.9536 -17.9536 -17.9398 -17.9398 -17.5927 -17.5927 -17.5784 -17.5784 -17.5577 -17.5577 -17.5562 -17.5562 -10.9831 -10.9831 -10.9825 -10.9825 -10.8698 -10.8698 -10.8660 -10.8660 -0.1883 -0.1883 -0.1761 -0.1761 -0.0344 -0.0344 -0.0092 -0.0092 0.4128 0.4128 0.4602 0.4602 0.5899 0.5899 0.6180 0.6180 1.1134 1.1134 1.1302 1.1302 1.4208 1.4208 1.4418 1.4418 7.6525 7.6525 7.6549 7.6549 8.3057 8.3057 8.3132 8.3132 8.5988 8.5997 k = 0.3158-0.0000 0.3266 ( 5980 PWs) bands (ev): -36.6556 -36.6556 -36.6551 -36.6551 -17.9545 -17.9545 -17.9403 -17.9403 -17.5946 -17.5946 -17.5792 -17.5792 -17.5572 -17.5572 -17.5562 -17.5562 -10.9773 -10.9773 -10.9768 -10.9768 -10.8711 -10.8711 -10.8670 -10.8670 -0.2061 -0.2061 -0.1917 -0.1917 -0.0370 -0.0370 -0.0082 -0.0082 0.4155 0.4155 0.4640 0.4640 0.5833 0.5833 0.6111 0.6111 1.1218 1.1218 1.1381 1.1381 1.4109 1.4109 1.4317 1.4317 7.6202 7.6202 7.6225 7.6225 8.3311 8.3311 8.3396 8.3396 8.6136 8.6137 k = 0.3289-0.0000 0.3266 ( 5972 PWs) bands (ev): -36.6555 -36.6555 -36.6550 -36.6550 -17.9555 -17.9555 -17.9408 -17.9408 -17.5965 -17.5965 -17.5801 -17.5801 -17.5566 -17.5566 -17.5562 -17.5562 -10.9719 -10.9719 -10.9715 -10.9715 -10.8721 -10.8721 -10.8679 -10.8679 -0.2269 -0.2269 -0.2119 -0.2119 -0.0339 -0.0339 -0.0034 -0.0034 0.4192 0.4192 0.4685 0.4685 0.5765 0.5765 0.6039 0.6039 1.1302 1.1302 1.1461 1.1461 1.4006 1.4006 1.4213 1.4213 7.5892 7.5892 7.5916 7.5916 8.3521 8.3521 8.3616 8.3616 8.6306 8.6308 k = 0.3421-0.0000 0.3266 ( 5976 PWs) bands (ev): -36.6554 -36.6554 -36.6549 -36.6549 -17.9564 -17.9564 -17.9413 -17.9413 -17.5982 -17.5982 -17.5811 -17.5811 -17.5562 -17.5562 -17.5559 -17.5559 -10.9669 -10.9669 -10.9665 -10.9665 -10.8729 -10.8729 -10.8685 -10.8685 -0.2490 -0.2490 -0.2343 -0.2343 -0.0275 -0.0275 0.0037 0.0037 0.4238 0.4238 0.4735 0.4735 0.5695 0.5695 0.5963 0.5963 1.1385 1.1385 1.1540 1.1540 1.3899 1.3899 1.4104 1.4104 7.5598 7.5598 7.5622 7.5622 8.3688 8.3688 8.3791 8.3791 8.6500 8.6509 k = 0.3553-0.0000 0.3266 ( 5984 PWs) bands (ev): -36.6553 -36.6553 -36.6549 -36.6549 -17.9572 -17.9572 -17.9418 -17.9418 -17.5999 -17.5999 -17.5820 -17.5820 -17.5560 -17.5560 -17.5555 -17.5555 -10.9623 -10.9623 -10.9621 -10.9621 -10.8734 -10.8734 -10.8689 -10.8689 -0.2713 -0.2713 -0.2572 -0.2572 -0.0193 -0.0193 0.0120 0.0120 0.4290 0.4290 0.4786 0.4786 0.5627 0.5627 0.5886 0.5886 1.1467 1.1467 1.1620 1.1620 1.3789 1.3789 1.3993 1.3993 7.5322 7.5322 7.5345 7.5345 8.3816 8.3817 8.3925 8.3925 8.6713 8.6723 k = 0.3684-0.0000 0.3266 ( 5988 PWs) bands (ev): -36.6552 -36.6552 -36.6548 -36.6548 -17.9581 -17.9581 -17.9423 -17.9423 -17.6015 -17.6015 -17.5829 -17.5829 -17.5557 -17.5557 -17.5551 -17.5551 -10.9583 -10.9583 -10.9581 -10.9581 -10.8737 -10.8737 -10.8690 -10.8690 -0.2930 -0.2930 -0.2795 -0.2795 -0.0104 -0.0104 0.0208 0.0208 0.4349 0.4349 0.4837 0.4837 0.5563 0.5563 0.5808 0.5808 1.1548 1.1548 1.1700 1.1700 1.3677 1.3677 1.3880 1.3880 7.5064 7.5064 7.5087 7.5087 8.3911 8.3911 8.4023 8.4023 8.6949 8.6960 k = 0.3816-0.0000 0.3266 ( 5980 PWs) bands (ev): -36.6552 -36.6552 -36.6547 -36.6547 -17.9588 -17.9588 -17.9427 -17.9427 -17.6029 -17.6029 -17.5837 -17.5837 -17.5555 -17.5555 -17.5546 -17.5546 -10.9548 -10.9548 -10.9546 -10.9546 -10.8738 -10.8738 -10.8689 -10.8689 -0.3135 -0.3135 -0.3006 -0.3006 -0.0012 -0.0012 0.0297 0.0297 0.4411 0.4411 0.4882 0.4882 0.5506 0.5506 0.5729 0.5729 1.1628 1.1628 1.1780 1.1780 1.3563 1.3563 1.3767 1.3767 7.4827 7.4827 7.4850 7.4850 8.3980 8.3980 8.4094 8.4094 8.7175 8.7192 k = 0.3947-0.0000 0.3266 ( 5976 PWs) bands (ev): -36.6551 -36.6551 -36.6546 -36.6546 -17.9595 -17.9595 -17.9432 -17.9432 -17.6042 -17.6042 -17.5845 -17.5845 -17.5553 -17.5553 -17.5542 -17.5542 -10.9517 -10.9517 -10.9516 -10.9516 -10.8737 -10.8737 -10.8687 -10.8687 -0.3325 -0.3325 -0.3202 -0.3202 0.0077 0.0077 0.0383 0.0383 0.4474 0.4474 0.4917 0.4917 0.5462 0.5462 0.5652 0.5652 1.1707 1.1707 1.1861 1.1861 1.3449 1.3449 1.3655 1.3655 7.4611 7.4611 7.4634 7.4634 8.4028 8.4028 8.4143 8.4143 8.7404 8.7428 k = 0.4079-0.0000 0.3266 ( 5974 PWs) bands (ev): -36.6550 -36.6550 -36.6546 -36.6546 -17.9602 -17.9602 -17.9436 -17.9436 -17.6054 -17.6054 -17.5852 -17.5852 -17.5551 -17.5551 -17.5538 -17.5538 -10.9492 -10.9492 -10.9491 -10.9491 -10.8734 -10.8734 -10.8683 -10.8683 -0.3497 -0.3497 -0.3380 -0.3380 0.0162 0.0162 0.0464 0.0464 0.4538 0.4538 0.4935 0.4935 0.5436 0.5436 0.5578 0.5578 1.1785 1.1785 1.1942 1.1942 1.3335 1.3335 1.3545 1.3545 7.4418 7.4418 7.4441 7.4441 8.4061 8.4061 8.4176 8.4176 8.7625 8.7649 k = 0.4211-0.0000 0.3266 ( 5980 PWs) bands (ev): -36.6550 -36.6550 -36.6545 -36.6545 -17.9607 -17.9607 -17.9439 -17.9439 -17.6064 -17.6064 -17.5859 -17.5859 -17.5549 -17.5549 -17.5534 -17.5534 -10.9471 -10.9471 -10.9470 -10.9470 -10.8729 -10.8729 -10.8678 -10.8678 -0.3649 -0.3649 -0.3536 -0.3536 0.0240 0.0240 0.0537 0.0537 0.4600 0.4600 0.4936 0.4936 0.5430 0.5430 0.5507 0.5507 1.1859 1.1859 1.2024 1.2024 1.3222 1.3222 1.3439 1.3439 7.4249 7.4249 7.4271 7.4271 8.4082 8.4082 8.4198 8.4198 8.7815 8.7826 k = 0.4342-0.0000 0.3266 ( 5972 PWs) bands (ev): -36.6550 -36.6550 -36.6545 -36.6545 -17.9612 -17.9612 -17.9442 -17.9442 -17.6073 -17.6073 -17.5864 -17.5864 -17.5547 -17.5547 -17.5531 -17.5531 -10.9455 -10.9455 -10.9454 -10.9454 -10.8724 -10.8724 -10.8672 -10.8672 -0.3781 -0.3781 -0.3671 -0.3671 0.0309 0.0309 0.0602 0.0602 0.4659 0.4659 0.4921 0.4921 0.5439 0.5439 0.5443 0.5443 1.1931 1.1931 1.2107 1.2107 1.3111 1.3111 1.3339 1.3339 7.4104 7.4104 7.4126 7.4126 8.4097 8.4097 8.4212 8.4212 8.7993 8.8009 k = 0.4474-0.0000 0.3266 ( 5980 PWs) bands (ev): -36.6549 -36.6549 -36.6545 -36.6545 -17.9616 -17.9616 -17.9445 -17.9445 -17.6080 -17.6080 -17.5869 -17.5869 -17.5545 -17.5545 -17.5529 -17.5529 -10.9442 -10.9442 -10.9441 -10.9441 -10.8719 -10.8719 -10.8666 -10.8666 -0.3889 -0.3889 -0.3783 -0.3783 0.0368 0.0368 0.0657 0.0657 0.4711 0.4711 0.4898 0.4898 0.5385 0.5385 0.5457 0.5457 1.1997 1.1997 1.2190 1.2190 1.3003 1.3003 1.3248 1.3248 7.3985 7.3985 7.4007 7.4007 8.4105 8.4105 8.4220 8.4220 8.8137 8.8153 k = 0.4605-0.0000 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9620 -17.9620 -17.9447 -17.9447 -17.6086 -17.6086 -17.5873 -17.5873 -17.5544 -17.5544 -17.5527 -17.5527 -10.9432 -10.9432 -10.9432 -10.9432 -10.8715 -10.8715 -10.8662 -10.8662 -0.3975 -0.3975 -0.3871 -0.3871 0.0416 0.0416 0.0701 0.0701 0.4756 0.4756 0.4874 0.4874 0.5336 0.5336 0.5478 0.5478 1.2056 1.2056 1.2274 1.2274 1.2899 1.2899 1.3168 1.3168 7.3891 7.3891 7.3913 7.3913 8.4111 8.4111 8.4225 8.4225 8.8250 8.8296 k = 0.4737-0.0000 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9622 -17.9622 -17.9448 -17.9448 -17.6090 -17.6090 -17.5875 -17.5875 -17.5543 -17.5543 -17.5525 -17.5525 -10.9426 -10.9426 -10.9425 -10.9425 -10.8711 -10.8711 -10.8658 -10.8658 -0.4036 -0.4036 -0.3934 -0.3934 0.0450 0.0450 0.0734 0.0734 0.4792 0.4792 0.4854 0.4854 0.5299 0.5299 0.5495 0.5495 1.2103 1.2103 1.2357 1.2357 1.2802 1.2802 1.3106 1.3106 7.3824 7.3824 7.3846 7.3846 8.4113 8.4113 8.4228 8.4228 8.8348 8.8375 k = 0.4868-0.0000 0.3266 ( 5998 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9623 -17.9623 -17.9449 -17.9449 -17.6093 -17.6093 -17.5877 -17.5877 -17.5543 -17.5543 -17.5525 -17.5525 -10.9422 -10.9422 -10.9421 -10.9421 -10.8709 -10.8709 -10.8655 -10.8655 -0.4073 -0.4073 -0.3972 -0.3972 0.0472 0.0472 0.0753 0.0753 0.4814 0.4814 0.4840 0.4840 0.5275 0.5275 0.5507 0.5507 1.2134 1.2134 1.2430 1.2430 1.2719 1.2719 1.3065 1.3065 7.3783 7.3783 7.3805 7.3805 8.4115 8.4115 8.4229 8.4229 8.8390 8.8437 k = 0.5000-0.0000 0.3266 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9624 -17.9624 -17.9450 -17.9450 -17.6094 -17.6094 -17.5878 -17.5878 -17.5543 -17.5543 -17.5525 -17.5525 -10.9421 -10.9421 -10.9420 -10.9420 -10.8708 -10.8708 -10.8655 -10.8655 -0.4086 -0.4086 -0.3984 -0.3984 0.0479 0.0479 0.0760 0.0760 0.4822 0.4822 0.4835 0.4835 0.5266 0.5266 0.5511 0.5511 1.2145 1.2145 1.2467 1.2467 1.2680 1.2680 1.3051 1.3051 7.3770 7.3770 7.3792 7.3792 8.4115 8.4115 8.4229 8.4229 8.8400 8.8400 k = 0.5000-0.0000 0.3266 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9624 -17.9624 -17.9450 -17.9450 -17.6094 -17.6094 -17.5878 -17.5878 -17.5543 -17.5543 -17.5525 -17.5525 -10.9421 -10.9421 -10.9420 -10.9420 -10.8708 -10.8708 -10.8655 -10.8655 -0.4086 -0.4086 -0.3984 -0.3984 0.0479 0.0479 0.0760 0.0760 0.4822 0.4822 0.4835 0.4835 0.5266 0.5266 0.5511 0.5511 1.2145 1.2145 1.2467 1.2467 1.2680 1.2680 1.3051 1.3051 7.3770 7.3770 7.3792 7.3792 8.4115 8.4115 8.4229 8.4229 8.8403 8.8451 k = 0.5000 0.0129 0.3266 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9624 -17.9624 -17.9450 -17.9450 -17.6093 -17.6093 -17.5878 -17.5878 -17.5543 -17.5543 -17.5525 -17.5525 -10.9420 -10.9420 -10.9419 -10.9419 -10.8709 -10.8709 -10.8655 -10.8655 -0.4095 -0.4095 -0.3994 -0.3994 0.0474 0.0474 0.0756 0.0756 0.4798 0.4798 0.4837 0.4837 0.5298 0.5298 0.5518 0.5518 1.2147 1.2147 1.2460 1.2460 1.2698 1.2698 1.3061 1.3061 7.3781 7.3781 7.3803 7.3803 8.4110 8.4110 8.4224 8.4224 8.8394 8.8421 k = 0.5000 0.0259 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9623 -17.9623 -17.9450 -17.9450 -17.6093 -17.6093 -17.5878 -17.5878 -17.5543 -17.5543 -17.5525 -17.5525 -10.9418 -10.9418 -10.9417 -10.9417 -10.8710 -10.8710 -10.8657 -10.8657 -0.4123 -0.4123 -0.4022 -0.4022 0.0459 0.0459 0.0745 0.0745 0.4742 0.4742 0.4842 0.4842 0.5376 0.5376 0.5538 0.5538 1.2152 1.2152 1.2446 1.2446 1.2747 1.2747 1.3091 1.3091 7.3816 7.3816 7.3838 7.3838 8.4095 8.4095 8.4209 8.4209 8.8380 8.8406 k = 0.5000 0.0388 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9622 -17.9622 -17.9451 -17.9451 -17.6091 -17.6091 -17.5878 -17.5878 -17.5544 -17.5544 -17.5526 -17.5526 -10.9415 -10.9415 -10.9414 -10.9414 -10.8713 -10.8713 -10.8660 -10.8660 -0.4168 -0.4168 -0.4067 -0.4067 0.0433 0.0433 0.0724 0.0724 0.4680 0.4680 0.4854 0.4854 0.5477 0.5477 0.5569 0.5569 1.2162 1.2162 1.2434 1.2434 1.2816 1.2816 1.3140 1.3140 7.3873 7.3873 7.3896 7.3896 8.4070 8.4070 8.4183 8.4183 8.8351 8.8371 k = 0.5000 0.0518 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9621 -17.9621 -17.9452 -17.9452 -17.6089 -17.6089 -17.5878 -17.5878 -17.5546 -17.5546 -17.5527 -17.5527 -10.9411 -10.9411 -10.9409 -10.9409 -10.8717 -10.8717 -10.8664 -10.8664 -0.4228 -0.4228 -0.4129 -0.4129 0.0396 0.0396 0.0692 0.0692 0.4626 0.4626 0.4876 0.4876 0.5586 0.5586 0.5607 0.5607 1.2177 1.2177 1.2431 1.2431 1.2899 1.2899 1.3205 1.3205 7.3953 7.3953 7.3976 7.3976 8.4034 8.4034 8.4146 8.4146 8.8314 8.8333 k = 0.5000 0.0647 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9619 -17.9619 -17.9453 -17.9453 -17.6087 -17.6087 -17.5878 -17.5878 -17.5547 -17.5547 -17.5528 -17.5528 -10.9405 -10.9405 -10.9404 -10.9404 -10.8722 -10.8722 -10.8670 -10.8670 -0.4302 -0.4302 -0.4204 -0.4204 0.0345 0.0345 0.0646 0.0646 0.4588 0.4588 0.4910 0.4910 0.5649 0.5649 0.5698 0.5698 1.2198 1.2198 1.2438 1.2438 1.2991 1.2991 1.3283 1.3283 7.4056 7.4056 7.4079 7.4079 8.3990 8.3990 8.4100 8.4100 8.8270 8.8289 k = 0.5000 0.0777 0.3266 ( 5984 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9617 -17.9617 -17.9454 -17.9454 -17.6083 -17.6083 -17.5878 -17.5878 -17.5549 -17.5549 -17.5530 -17.5530 -10.9398 -10.9398 -10.9396 -10.9396 -10.8728 -10.8728 -10.8676 -10.8676 -0.4387 -0.4387 -0.4290 -0.4290 0.0280 0.0280 0.0584 0.0584 0.4569 0.4569 0.4959 0.4959 0.5693 0.5693 0.5808 0.5808 1.2228 1.2228 1.2456 1.2456 1.3092 1.3092 1.3372 1.3372 7.4180 7.4180 7.4204 7.4204 8.3935 8.3935 8.4044 8.4044 8.8217 8.8242 k = 0.5000 0.0906 0.3266 ( 5980 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9615 -17.9615 -17.9456 -17.9456 -17.6080 -17.6080 -17.5879 -17.5879 -17.5552 -17.5552 -17.5531 -17.5531 -10.9390 -10.9390 -10.9388 -10.9388 -10.8735 -10.8735 -10.8684 -10.8684 -0.4482 -0.4482 -0.4386 -0.4386 0.0202 0.0202 0.0505 0.0505 0.4572 0.4572 0.5022 0.5022 0.5737 0.5737 0.5915 0.5915 1.2265 1.2265 1.2484 1.2484 1.3198 1.3198 1.3471 1.3471 7.4327 7.4327 7.4351 7.4351 8.3871 8.3871 8.3978 8.3978 8.8144 8.8176 k = 0.5000 0.1036 0.3266 ( 5972 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9612 -17.9612 -17.9457 -17.9457 -17.6075 -17.6075 -17.5879 -17.5879 -17.5554 -17.5554 -17.5533 -17.5533 -10.9381 -10.9381 -10.9378 -10.9378 -10.8743 -10.8743 -10.8692 -10.8692 -0.4582 -0.4582 -0.4488 -0.4488 0.0111 0.0111 0.0411 0.0411 0.4594 0.4594 0.5098 0.5098 0.5783 0.5783 0.6019 0.6019 1.2310 1.2310 1.2523 1.2523 1.3309 1.3309 1.3575 1.3575 7.4494 7.4494 7.4519 7.4519 8.3797 8.3797 8.3903 8.3903 8.8074 8.8121 k = 0.5000 0.1165 0.3266 ( 5968 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9609 -17.9609 -17.9459 -17.9459 -17.6071 -17.6071 -17.5880 -17.5880 -17.5557 -17.5557 -17.5536 -17.5536 -10.9371 -10.9371 -10.9368 -10.9368 -10.8752 -10.8752 -10.8702 -10.8702 -0.4686 -0.4686 -0.4595 -0.4595 0.0008 0.0008 0.0301 0.0301 0.4634 0.4634 0.5182 0.5182 0.5831 0.5831 0.6119 0.6119 1.2363 1.2363 1.2572 1.2572 1.3422 1.3422 1.3683 1.3683 7.4682 7.4682 7.4708 7.4708 8.3714 8.3714 8.3817 8.3817 8.8007 8.8038 k = 0.5000 0.1294 0.3266 ( 5968 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9606 -17.9606 -17.9462 -17.9462 -17.6066 -17.6066 -17.5881 -17.5881 -17.5560 -17.5560 -17.5538 -17.5538 -10.9360 -10.9360 -10.9356 -10.9356 -10.8761 -10.8761 -10.8713 -10.8713 -0.4793 -0.4793 -0.4704 -0.4704 -0.0104 -0.0104 0.0179 0.0179 0.4688 0.4688 0.5270 0.5270 0.5885 0.5885 0.6217 0.6217 1.2423 1.2423 1.2629 1.2629 1.3536 1.3536 1.3793 1.3793 7.4890 7.4890 7.4917 7.4917 8.3620 8.3620 8.3721 8.3721 8.7905 8.7919 k = 0.5000 0.1424 0.3266 ( 5964 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9602 -17.9602 -17.9464 -17.9464 -17.6060 -17.6060 -17.5882 -17.5882 -17.5563 -17.5563 -17.5541 -17.5541 -10.9348 -10.9348 -10.9343 -10.9343 -10.8772 -10.8772 -10.8725 -10.8725 -0.4900 -0.4900 -0.4814 -0.4814 -0.0223 -0.0223 0.0047 0.0047 0.4752 0.4752 0.5353 0.5353 0.5948 0.5948 0.6312 0.6312 1.2490 1.2490 1.2693 1.2693 1.3650 1.3650 1.3902 1.3902 7.5118 7.5118 7.5145 7.5145 8.3516 8.3516 8.3614 8.3614 8.7813 8.7822 k = 0.5000 0.1553 0.3266 ( 5960 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9598 -17.9598 -17.9467 -17.9467 -17.6054 -17.6054 -17.5883 -17.5883 -17.5566 -17.5566 -17.5544 -17.5544 -10.9336 -10.9336 -10.9329 -10.9329 -10.8784 -10.8784 -10.8737 -10.8737 -0.5005 -0.5005 -0.4923 -0.4923 -0.0347 -0.0347 -0.0092 -0.0092 0.4822 0.4822 0.5425 0.5425 0.6025 0.6025 0.6405 0.6405 1.2562 1.2562 1.2763 1.2763 1.3761 1.3761 1.4009 1.4009 7.5364 7.5364 7.5392 7.5392 8.3400 8.3400 8.3495 8.3495 8.7728 8.7745 k = 0.5000 0.1683 0.3266 ( 5968 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9594 -17.9594 -17.9470 -17.9470 -17.6048 -17.6048 -17.5885 -17.5885 -17.5570 -17.5570 -17.5547 -17.5547 -10.9322 -10.9322 -10.9315 -10.9315 -10.8796 -10.8796 -10.8751 -10.8751 -0.5107 -0.5107 -0.5029 -0.5029 -0.0474 -0.0474 -0.0235 -0.0235 0.4894 0.4894 0.5481 0.5481 0.6120 0.6120 0.6499 0.6499 1.2639 1.2639 1.2837 1.2837 1.3869 1.3869 1.4112 1.4112 7.5627 7.5627 7.5657 7.5657 8.3271 8.3271 8.3363 8.3363 8.7632 8.7638 k = 0.5000 0.1812 0.3266 ( 5984 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9590 -17.9590 -17.9474 -17.9474 -17.6041 -17.6041 -17.5887 -17.5887 -17.5573 -17.5573 -17.5551 -17.5551 -10.9308 -10.9308 -10.9300 -10.9300 -10.8809 -10.8809 -10.8765 -10.8765 -0.5205 -0.5205 -0.5131 -0.5131 -0.0600 -0.0600 -0.0378 -0.0378 0.4964 0.4964 0.5519 0.5519 0.6229 0.6229 0.6591 0.6591 1.2719 1.2719 1.2915 1.2915 1.3973 1.3973 1.4209 1.4209 7.5907 7.5907 7.5938 7.5938 8.3128 8.3128 8.3217 8.3217 8.7538 8.7557 k = 0.5000 0.1942 0.3266 ( 5980 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9585 -17.9585 -17.9477 -17.9477 -17.6034 -17.6034 -17.5889 -17.5889 -17.5576 -17.5576 -17.5554 -17.5554 -10.9293 -10.9293 -10.9284 -10.9284 -10.8822 -10.8822 -10.8780 -10.8780 -0.5297 -0.5297 -0.5228 -0.5228 -0.0724 -0.0724 -0.0520 -0.0520 0.5031 0.5031 0.5543 0.5543 0.6349 0.6349 0.6683 0.6683 1.2802 1.2802 1.2993 1.2993 1.4071 1.4071 1.4300 1.4300 7.6202 7.6202 7.6234 7.6234 8.2970 8.2970 8.3055 8.3055 8.7449 8.7469 k = 0.5000 0.2071 0.3266 ( 5980 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9581 -17.9581 -17.9481 -17.9481 -17.6026 -17.6026 -17.5892 -17.5892 -17.5579 -17.5579 -17.5557 -17.5557 -10.9278 -10.9278 -10.9268 -10.9268 -10.8836 -10.8836 -10.8795 -10.8795 -0.5384 -0.5384 -0.5319 -0.5319 -0.0843 -0.0843 -0.0657 -0.0657 0.5093 0.5093 0.5554 0.5554 0.6474 0.6474 0.6775 0.6775 1.2886 1.2886 1.3072 1.3072 1.4162 1.4162 1.4383 1.4383 7.6512 7.6512 7.6545 7.6545 8.2795 8.2795 8.2876 8.2876 8.7372 8.7378 k = 0.5000 0.2200 0.3266 ( 5984 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9576 -17.9576 -17.9485 -17.9485 -17.6019 -17.6019 -17.5896 -17.5896 -17.5581 -17.5581 -17.5560 -17.5560 -10.9262 -10.9262 -10.9251 -10.9251 -10.8850 -10.8850 -10.8811 -10.8811 -0.5463 -0.5463 -0.5404 -0.5404 -0.0955 -0.0955 -0.0788 -0.0788 0.5149 0.5149 0.5557 0.5557 0.6600 0.6600 0.6863 0.6863 1.2969 1.2969 1.3148 1.3148 1.4247 1.4247 1.4456 1.4456 7.6834 7.6834 7.6869 7.6869 8.2601 8.2601 8.2679 8.2679 8.7284 8.7299 k = 0.5000 0.2330 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9571 -17.9571 -17.9489 -17.9489 -17.6011 -17.6011 -17.5900 -17.5900 -17.5583 -17.5583 -17.5564 -17.5564 -10.9246 -10.9246 -10.9235 -10.9235 -10.8864 -10.8864 -10.8827 -10.8827 -0.5535 -0.5535 -0.5481 -0.5481 -0.1060 -0.1060 -0.0911 -0.0911 0.5198 0.5198 0.5554 0.5554 0.6722 0.6722 0.6948 0.6948 1.3051 1.3051 1.3221 1.3221 1.4324 1.4324 1.4520 1.4520 7.7167 7.7167 7.7204 7.7204 8.2388 8.2388 8.2462 8.2462 8.7218 8.7235 k = 0.5000 0.2459 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9566 -17.9566 -17.9494 -17.9494 -17.6003 -17.6003 -17.5904 -17.5904 -17.5585 -17.5585 -17.5567 -17.5567 -10.9230 -10.9230 -10.9218 -10.9218 -10.8878 -10.8878 -10.8844 -10.8844 -0.5599 -0.5599 -0.5551 -0.5551 -0.1154 -0.1154 -0.1024 -0.1024 0.5242 0.5242 0.5546 0.5546 0.6836 0.6836 0.7028 0.7028 1.3130 1.3130 1.3288 1.3288 1.4393 1.4393 1.4574 1.4574 7.7510 7.7510 7.7548 7.7548 8.2154 8.2154 8.2225 8.2225 8.7167 8.7178 k = 0.5000 0.2589 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9561 -17.9561 -17.9498 -17.9498 -17.5995 -17.5995 -17.5909 -17.5909 -17.5586 -17.5586 -17.5570 -17.5570 -10.9215 -10.9215 -10.9202 -10.9202 -10.8891 -10.8891 -10.8860 -10.8860 -0.5655 -0.5655 -0.5613 -0.5613 -0.1237 -0.1237 -0.1126 -0.1126 0.5280 0.5280 0.5534 0.5534 0.6941 0.6941 0.7100 0.7100 1.3205 1.3205 1.3349 1.3349 1.4455 1.4455 1.4618 1.4618 7.7861 7.7861 7.7900 7.7900 8.1901 8.1901 8.1968 8.1968 8.7113 8.7127 k = 0.5000 0.2718 0.3266 ( 5992 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9555 -17.9555 -17.9503 -17.9503 -17.5987 -17.5987 -17.5914 -17.5914 -17.5587 -17.5587 -17.5573 -17.5573 -10.9200 -10.9200 -10.9188 -10.9188 -10.8904 -10.8904 -10.8876 -10.8876 -0.5701 -0.5701 -0.5666 -0.5666 -0.1308 -0.1308 -0.1216 -0.1216 0.5313 0.5313 0.5521 0.5521 0.7035 0.7035 0.7163 0.7163 1.3274 1.3274 1.3401 1.3401 1.4509 1.4509 1.4651 1.4651 7.8218 7.8218 7.8259 7.8259 8.1629 8.1629 8.1693 8.1693 8.7074 8.7079 k = 0.5000 0.2848 0.3266 ( 5992 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9550 -17.9550 -17.9508 -17.9508 -17.5979 -17.5979 -17.5920 -17.5920 -17.5588 -17.5588 -17.5576 -17.5576 -10.9186 -10.9186 -10.9174 -10.9174 -10.8915 -10.8915 -10.8891 -10.8891 -0.5739 -0.5739 -0.5711 -0.5711 -0.1366 -0.1366 -0.1292 -0.1292 0.5342 0.5342 0.5506 0.5506 0.7116 0.7116 0.7215 0.7215 1.3337 1.3337 1.3442 1.3442 1.4556 1.4556 1.4674 1.4674 7.8578 7.8578 7.8621 7.8621 8.1338 8.1338 8.1399 8.1399 8.7046 8.7053 k = 0.5000 0.2977 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9545 -17.9545 -17.9513 -17.9513 -17.5971 -17.5971 -17.5926 -17.5926 -17.5588 -17.5588 -17.5578 -17.5578 -10.9173 -10.9173 -10.9163 -10.9163 -10.8924 -10.8924 -10.8904 -10.8904 -0.5768 -0.5768 -0.5746 -0.5746 -0.1410 -0.1410 -0.1354 -0.1354 0.5368 0.5368 0.5489 0.5489 0.7182 0.7182 0.7254 0.7254 1.3390 1.3390 1.3472 1.3472 1.4596 1.4596 1.4688 1.4688 7.8940 7.8940 7.8984 7.8984 8.1031 8.1031 8.1088 8.1089 8.7029 8.7033 k = 0.5000 0.3107 0.3266 ( 5980 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9539 -17.9539 -17.9518 -17.9518 -17.5962 -17.5962 -17.5932 -17.5932 -17.5587 -17.5587 -17.5580 -17.5580 -10.9163 -10.9163 -10.9155 -10.9155 -10.8930 -10.8930 -10.8916 -10.8916 -0.5787 -0.5787 -0.5773 -0.5773 -0.1439 -0.1439 -0.1402 -0.1402 0.5392 0.5392 0.5472 0.5472 0.7233 0.7233 0.7280 0.7280 1.3434 1.3434 1.3490 1.3490 1.4630 1.4630 1.4692 1.4692 7.9300 7.9300 7.9346 7.9346 8.0710 8.0710 8.0765 8.0765 8.7014 8.7018 k = 0.5000 0.3236 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9534 -17.9534 -17.9523 -17.9523 -17.5955 -17.5955 -17.5939 -17.5939 -17.5587 -17.5587 -17.5582 -17.5582 -10.9155 -10.9155 -10.9151 -10.9151 -10.8932 -10.8932 -10.8925 -10.8925 -0.5798 -0.5798 -0.5790 -0.5790 -0.1452 -0.1452 -0.1434 -0.1434 0.5414 0.5414 0.5453 0.5453 0.7268 0.7268 0.7292 0.7292 1.3466 1.3466 1.3495 1.3495 1.4656 1.4656 1.4688 1.4688 7.9654 7.9654 7.9700 7.9700 8.0381 8.0381 8.0432 8.0432 8.7005 8.7007 k = 0.5000 0.3365 0.3266 ( 5992 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9531 -17.9531 -17.9526 -17.9526 -17.5949 -17.5949 -17.5945 -17.5945 -17.5587 -17.5587 -17.5582 -17.5582 -10.9152 -10.9152 -10.9151 -10.9151 -10.8931 -10.8931 -10.8930 -10.8930 -0.5799 -0.5799 -0.5798 -0.5798 -0.1451 -0.1451 -0.1451 -0.1451 0.5433 0.5433 0.5435 0.5435 0.7288 0.7288 0.7288 0.7288 1.3487 1.3487 1.3487 1.3487 1.4675 1.4675 1.4676 1.4676 7.9942 7.9942 7.9945 7.9945 8.0146 8.0146 8.0149 8.0149 8.7003 8.7005 k = 0.5000 0.3365 0.3266 ( 5992 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9531 -17.9531 -17.9526 -17.9526 -17.5949 -17.5949 -17.5945 -17.5945 -17.5587 -17.5587 -17.5582 -17.5582 -10.9152 -10.9152 -10.9151 -10.9151 -10.8931 -10.8931 -10.8930 -10.8930 -0.5799 -0.5799 -0.5798 -0.5798 -0.1451 -0.1451 -0.1451 -0.1451 0.5433 0.5433 0.5435 0.5435 0.7288 0.7288 0.7288 0.7288 1.3487 1.3487 1.3487 1.3487 1.4675 1.4675 1.4676 1.4676 7.9942 7.9942 7.9945 7.9945 8.0146 8.0146 8.0149 8.0149 8.7003 8.7004 k = 0.4868 0.3365 0.3266 ( 5980 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9530 -17.9530 -17.9526 -17.9526 -17.5948 -17.5948 -17.5944 -17.5944 -17.5587 -17.5587 -17.5582 -17.5582 -10.9155 -10.9155 -10.9154 -10.9154 -10.8930 -10.8930 -10.8929 -10.8929 -0.5794 -0.5794 -0.5794 -0.5794 -0.1448 -0.1448 -0.1447 -0.1447 0.5435 0.5435 0.5436 0.5436 0.7294 0.7294 0.7295 0.7295 1.3484 1.3484 1.3485 1.3485 1.4668 1.4668 1.4669 1.4669 7.9951 7.9951 7.9953 7.9953 8.0145 8.0145 8.0148 8.0148 8.6957 8.6958 k = 0.4737 0.3365 0.3266 ( 5976 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9529 -17.9529 -17.9525 -17.9525 -17.5946 -17.5946 -17.5942 -17.5942 -17.5587 -17.5587 -17.5583 -17.5583 -10.9164 -10.9164 -10.9163 -10.9163 -10.8927 -10.8927 -10.8926 -10.8926 -0.5780 -0.5780 -0.5780 -0.5780 -0.1436 -0.1436 -0.1436 -0.1436 0.5439 0.5439 0.5440 0.5440 0.7314 0.7314 0.7315 0.7315 1.3476 1.3476 1.3476 1.3476 1.4648 1.4648 1.4649 1.4649 7.9975 7.9975 7.9978 7.9978 8.0142 8.0142 8.0145 8.0145 8.6821 8.6822 k = 0.4605 0.3365 0.3266 ( 5980 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9527 -17.9527 -17.9523 -17.9523 -17.5943 -17.5943 -17.5939 -17.5939 -17.5588 -17.5588 -17.5584 -17.5584 -10.9179 -10.9179 -10.9178 -10.9178 -10.8922 -10.8922 -10.8921 -10.8921 -0.5757 -0.5757 -0.5757 -0.5757 -0.1418 -0.1418 -0.1417 -0.1417 0.5447 0.5447 0.5448 0.5448 0.7347 0.7347 0.7347 0.7347 1.3462 1.3462 1.3463 1.3463 1.4614 1.4614 1.4615 1.4615 8.0014 8.0014 8.0016 8.0016 8.0138 8.0138 8.0141 8.0141 8.6606 8.6607 k = 0.4474 0.3365 0.3266 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6545 -36.6545 -17.9525 -17.9525 -17.9521 -17.9521 -17.5939 -17.5939 -17.5935 -17.5935 -17.5589 -17.5589 -17.5585 -17.5585 -10.9200 -10.9200 -10.9199 -10.9199 -10.8916 -10.8916 -10.8915 -10.8915 -0.5726 -0.5726 -0.5725 -0.5725 -0.1392 -0.1392 -0.1391 -0.1391 0.5458 0.5458 0.5459 0.5459 0.7393 0.7393 0.7393 0.7393 1.3443 1.3443 1.3444 1.3444 1.4566 1.4566 1.4567 1.4567 8.0060 8.0060 8.0062 8.0062 8.0140 8.0140 8.0143 8.0143 8.6328 8.6328 k = 0.4342 0.3365 0.3266 ( 5976 PWs) bands (ev): -36.6550 -36.6550 -36.6545 -36.6545 -17.9522 -17.9522 -17.9517 -17.9517 -17.5934 -17.5934 -17.5929 -17.5929 -17.5590 -17.5590 -17.5586 -17.5586 -10.9226 -10.9226 -10.9225 -10.9225 -10.8908 -10.8908 -10.8906 -10.8906 -0.5687 -0.5687 -0.5686 -0.5686 -0.1357 -0.1357 -0.1357 -0.1357 0.5474 0.5474 0.5475 0.5475 0.7450 0.7450 0.7451 0.7451 1.3419 1.3419 1.3419 1.3419 1.4505 1.4505 1.4506 1.4506 8.0085 8.0085 8.0088 8.0088 8.0176 8.0176 8.0179 8.0179 8.5999 8.6001 k = 0.4211 0.3365 0.3266 ( 5984 PWs) bands (ev): -36.6550 -36.6550 -36.6545 -36.6545 -17.9518 -17.9518 -17.9514 -17.9514 -17.5927 -17.5927 -17.5923 -17.5923 -17.5592 -17.5592 -17.5587 -17.5587 -10.9259 -10.9259 -10.9258 -10.9258 -10.8897 -10.8897 -10.8896 -10.8896 -0.5641 -0.5641 -0.5640 -0.5640 -0.1315 -0.1315 -0.1314 -0.1314 0.5495 0.5495 0.5496 0.5496 0.7520 0.7520 0.7520 0.7520 1.3389 1.3389 1.3389 1.3389 1.4431 1.4431 1.4432 1.4432 8.0082 8.0082 8.0085 8.0085 8.0253 8.0253 8.0255 8.0255 8.5636 8.5637 k = 0.4079 0.3365 0.3266 ( 5988 PWs) bands (ev): -36.6551 -36.6551 -36.6546 -36.6546 -17.9514 -17.9514 -17.9510 -17.9510 -17.5920 -17.5920 -17.5915 -17.5915 -17.5593 -17.5593 -17.5589 -17.5589 -10.9297 -10.9297 -10.9295 -10.9295 -10.8885 -10.8885 -10.8884 -10.8884 -0.5590 -0.5590 -0.5589 -0.5589 -0.1264 -0.1264 -0.1264 -0.1264 0.5522 0.5522 0.5523 0.5523 0.7600 0.7600 0.7600 0.7600 1.3354 1.3354 1.3354 1.3354 1.4344 1.4344 1.4345 1.4345 8.0070 8.0070 8.0073 8.0073 8.0348 8.0348 8.0351 8.0351 8.5250 8.5251 k = 0.3947 0.3365 0.3266 ( 5984 PWs) bands (ev): -36.6551 -36.6551 -36.6546 -36.6546 -17.9510 -17.9510 -17.9505 -17.9505 -17.5911 -17.5911 -17.5907 -17.5907 -17.5594 -17.5594 -17.5590 -17.5590 -10.9339 -10.9339 -10.9338 -10.9338 -10.8872 -10.8872 -10.8871 -10.8871 -0.5533 -0.5533 -0.5533 -0.5533 -0.1205 -0.1205 -0.1204 -0.1204 0.5556 0.5556 0.5557 0.5557 0.7690 0.7690 0.7690 0.7690 1.3314 1.3314 1.3314 1.3314 1.4246 1.4246 1.4247 1.4247 8.0057 8.0057 8.0060 8.0060 8.0455 8.0455 8.0458 8.0458 8.4848 8.4850 k = 0.3816 0.3365 0.3266 ( 5988 PWs) bands (ev): -36.6552 -36.6552 -36.6547 -36.6547 -17.9504 -17.9504 -17.9500 -17.9500 -17.5902 -17.5902 -17.5898 -17.5898 -17.5596 -17.5596 -17.5592 -17.5592 -10.9387 -10.9387 -10.9386 -10.9386 -10.8857 -10.8857 -10.8856 -10.8856 -0.5474 -0.5474 -0.5474 -0.5474 -0.1136 -0.1136 -0.1136 -0.1136 0.5598 0.5598 0.5599 0.5599 0.7789 0.7789 0.7789 0.7789 1.3268 1.3268 1.3268 1.3268 1.4136 1.4136 1.4137 1.4137 8.0043 8.0043 8.0046 8.0046 8.0568 8.0568 8.0570 8.0570 8.4442 8.4443 k = 0.3684 0.3365 0.3266 ( 6004 PWs) bands (ev): -36.6552 -36.6552 -36.6548 -36.6548 -17.9499 -17.9499 -17.9495 -17.9495 -17.5892 -17.5892 -17.5888 -17.5888 -17.5597 -17.5597 -17.5593 -17.5593 -10.9439 -10.9439 -10.9438 -10.9438 -10.8840 -10.8840 -10.8839 -10.8839 -0.5414 -0.5414 -0.5413 -0.5413 -0.1058 -0.1058 -0.1058 -0.1058 0.5650 0.5650 0.5651 0.5651 0.7895 0.7895 0.7895 0.7895 1.3217 1.3217 1.3217 1.3217 1.4015 1.4015 1.4016 1.4016 8.0030 8.0030 8.0033 8.0033 8.0680 8.0680 8.0682 8.0682 8.4041 8.4042 k = 0.3553 0.3365 0.3266 ( 6008 PWs) bands (ev): -36.6553 -36.6553 -36.6549 -36.6549 -17.9493 -17.9493 -17.9489 -17.9489 -17.5881 -17.5881 -17.5877 -17.5877 -17.5598 -17.5598 -17.5595 -17.5595 -10.9495 -10.9495 -10.9494 -10.9494 -10.8822 -10.8822 -10.8821 -10.8821 -0.5353 -0.5353 -0.5352 -0.5352 -0.0971 -0.0971 -0.0970 -0.0970 0.5712 0.5712 0.5714 0.5714 0.8008 0.8008 0.8008 0.8008 1.3160 1.3160 1.3160 1.3160 1.3886 1.3886 1.3886 1.3886 8.0019 8.0019 8.0022 8.0022 8.0782 8.0782 8.0784 8.0784 8.3657 8.3658 k = 0.3421 0.3365 0.3266 ( 6016 PWs) bands (ev): -36.6554 -36.6554 -36.6549 -36.6549 -17.9487 -17.9487 -17.9483 -17.9483 -17.5870 -17.5870 -17.5867 -17.5867 -17.5599 -17.5599 -17.5595 -17.5595 -10.9555 -10.9555 -10.9554 -10.9554 -10.8803 -10.8803 -10.8802 -10.8802 -0.5293 -0.5293 -0.5292 -0.5292 -0.0873 -0.0873 -0.0872 -0.0872 0.5787 0.5787 0.5788 0.5788 0.8126 0.8126 0.8127 0.8127 1.3095 1.3095 1.3095 1.3095 1.3749 1.3749 1.3749 1.3749 8.0010 8.0010 8.0013 8.0013 8.0858 8.0858 8.0860 8.0860 8.3309 8.3309 k = 0.3289 0.3365 0.3266 ( 6008 PWs) bands (ev): -36.6555 -36.6555 -36.6550 -36.6550 -17.9481 -17.9481 -17.9476 -17.9476 -17.5859 -17.5859 -17.5855 -17.5855 -17.5599 -17.5599 -17.5595 -17.5595 -10.9618 -10.9618 -10.9617 -10.9617 -10.8783 -10.8783 -10.8782 -10.8782 -0.5236 -0.5236 -0.5235 -0.5235 -0.0764 -0.0764 -0.0763 -0.0763 0.5874 0.5874 0.5875 0.5875 0.8248 0.8248 0.8248 0.8248 1.3022 1.3022 1.3022 1.3022 1.3607 1.3607 1.3608 1.3608 8.0006 8.0006 8.0008 8.0008 8.0881 8.0881 8.0883 8.0883 8.3021 8.3021 k = 0.3158 0.3365 0.3266 ( 6004 PWs) bands (ev): -36.6556 -36.6556 -36.6551 -36.6551 -17.9474 -17.9474 -17.9470 -17.9470 -17.5848 -17.5848 -17.5844 -17.5844 -17.5598 -17.5598 -17.5595 -17.5595 -10.9685 -10.9685 -10.9683 -10.9683 -10.8762 -10.8762 -10.8761 -10.8761 -0.5182 -0.5182 -0.5182 -0.5182 -0.0645 -0.0645 -0.0644 -0.0644 0.5974 0.5974 0.5976 0.5976 0.8372 0.8372 0.8372 0.8372 1.2937 1.2937 1.2937 1.2937 1.3465 1.3465 1.3466 1.3466 8.0005 8.0005 8.0008 8.0008 8.0820 8.0820 8.0822 8.0822 8.2829 8.2830 k = 0.3026 0.3365 0.3266 ( 5996 PWs) bands (ev): -36.6557 -36.6557 -36.6552 -36.6552 -17.9468 -17.9468 -17.9463 -17.9463 -17.5837 -17.5837 -17.5834 -17.5834 -17.5596 -17.5596 -17.5593 -17.5593 -10.9753 -10.9753 -10.9752 -10.9752 -10.8740 -10.8740 -10.8739 -10.8739 -0.5134 -0.5134 -0.5134 -0.5134 -0.0514 -0.0514 -0.0514 -0.0514 0.6089 0.6089 0.6090 0.6090 0.8495 0.8495 0.8496 0.8496 1.2837 1.2837 1.2837 1.2837 1.3329 1.3329 1.3329 1.3329 8.0010 8.0010 8.0012 8.0012 8.0654 8.0654 8.0656 8.0656 8.2753 8.2754 k = 0.2895 0.3365 0.3266 ( 6008 PWs) bands (ev): -36.6558 -36.6558 -36.6553 -36.6553 -17.9461 -17.9461 -17.9457 -17.9457 -17.5827 -17.5827 -17.5824 -17.5824 -17.5592 -17.5592 -17.5590 -17.5590 -10.9824 -10.9824 -10.9822 -10.9822 -10.8718 -10.8718 -10.8717 -10.8717 -0.5092 -0.5092 -0.5092 -0.5092 -0.0373 -0.0373 -0.0372 -0.0372 0.6217 0.6217 0.6219 0.6219 0.8617 0.8617 0.8617 0.8617 1.2717 1.2717 1.2718 1.2718 1.3202 1.3202 1.3203 1.3203 8.0019 8.0019 8.0021 8.0021 8.0395 8.0395 8.0397 8.0397 8.2781 8.2783 k = 0.2763 0.3365 0.3266 ( 6008 PWs) bands (ev): -36.6559 -36.6559 -36.6554 -36.6554 -17.9455 -17.9455 -17.9450 -17.9450 -17.5817 -17.5817 -17.5815 -17.5815 -17.5588 -17.5588 -17.5586 -17.5586 -10.9895 -10.9895 -10.9894 -10.9894 -10.8695 -10.8695 -10.8694 -10.8694 -0.5057 -0.5057 -0.5057 -0.5057 -0.0220 -0.0220 -0.0219 -0.0219 0.6360 0.6360 0.6361 0.6361 0.8734 0.8734 0.8734 0.8734 1.2577 1.2577 1.2577 1.2577 1.3091 1.3091 1.3091 1.3091 8.0007 8.0007 8.0008 8.0008 8.0101 8.0101 8.0103 8.0103 8.2883 8.2884 k = 0.2632 0.3365 0.3266 ( 6016 PWs) bands (ev): -36.6560 -36.6560 -36.6555 -36.6555 -17.9449 -17.9449 -17.9444 -17.9444 -17.5809 -17.5809 -17.5808 -17.5808 -17.5582 -17.5582 -17.5580 -17.5580 -10.9968 -10.9968 -10.9967 -10.9967 -10.8672 -10.8672 -10.8671 -10.8671 -0.5029 -0.5029 -0.5029 -0.5029 -0.0055 -0.0055 -0.0054 -0.0054 0.6516 0.6516 0.6518 0.6518 0.8844 0.8844 0.8844 0.8844 1.2419 1.2419 1.2419 1.2419 1.2993 1.2993 1.2993 1.2993 7.9697 7.9697 7.9698 7.9698 8.0075 8.0075 8.0077 8.0077 8.3030 8.3031 k = 0.2500 0.3365 0.3266 ( 6012 PWs) bands (ev): -36.6561 -36.6561 -36.6556 -36.6556 -17.9442 -17.9442 -17.9438 -17.9438 -17.5803 -17.5803 -17.5801 -17.5801 -17.5573 -17.5573 -17.5573 -17.5573 -11.0042 -11.0042 -11.0041 -11.0041 -10.8649 -10.8649 -10.8648 -10.8648 -0.5008 -0.5008 -0.5008 -0.5008 0.0121 0.0121 0.0122 0.0122 0.6685 0.6685 0.6686 0.6686 0.8942 0.8942 0.8942 0.8942 1.2249 1.2249 1.2250 1.2250 1.2906 1.2906 1.2906 1.2906 7.9319 7.9319 7.9321 7.9321 8.0106 8.0106 8.0109 8.0109 8.3207 8.3208 k = 0.2368 0.3365 0.3266 ( 6012 PWs) bands (ev): -36.6562 -36.6562 -36.6557 -36.6557 -17.9436 -17.9436 -17.9432 -17.9432 -17.5797 -17.5797 -17.5797 -17.5797 -17.5564 -17.5564 -17.5563 -17.5563 -11.0115 -11.0115 -11.0114 -11.0114 -10.8625 -10.8625 -10.8624 -10.8624 -0.4995 -0.4995 -0.4995 -0.4995 0.0308 0.0308 0.0309 0.0309 0.6865 0.6865 0.6867 0.6867 0.9025 0.9025 0.9025 0.9025 1.2076 1.2076 1.2077 1.2077 1.2827 1.2827 1.2827 1.2827 7.8932 7.8932 7.8933 7.8933 8.0149 8.0149 8.0151 8.0151 8.3397 8.3399 k = 0.2237 0.3365 0.3266 ( 6016 PWs) bands (ev): -36.6563 -36.6563 -36.6558 -36.6558 -17.9430 -17.9430 -17.9426 -17.9426 -17.5794 -17.5794 -17.5793 -17.5793 -17.5553 -17.5553 -17.5552 -17.5552 -11.0188 -11.0188 -11.0187 -11.0187 -10.8602 -10.8602 -10.8601 -10.8601 -0.4990 -0.4990 -0.4990 -0.4990 0.0508 0.0508 0.0508 0.0508 0.7054 0.7054 0.7056 0.7056 0.9088 0.9088 0.9088 0.9088 1.1906 1.1906 1.1907 1.1907 1.2754 1.2754 1.2754 1.2754 7.8543 7.8543 7.8544 7.8544 8.0200 8.0200 8.0203 8.0203 8.3596 8.3598 k = 0.2105 0.3365 0.3266 ( 6012 PWs) bands (ev): -36.6564 -36.6564 -36.6559 -36.6559 -17.9425 -17.9425 -17.9420 -17.9420 -17.5791 -17.5791 -17.5790 -17.5790 -17.5541 -17.5541 -17.5540 -17.5540 -11.0259 -11.0259 -11.0258 -11.0258 -10.8579 -10.8579 -10.8578 -10.8578 -0.4991 -0.4991 -0.4991 -0.4991 0.0718 0.0718 0.0719 0.0719 0.7252 0.7252 0.7253 0.7253 0.9123 0.9123 0.9123 0.9123 1.1749 1.1749 1.1749 1.1749 1.2685 1.2685 1.2686 1.2686 7.8157 7.8157 7.8159 7.8159 8.0261 8.0261 8.0263 8.0263 8.3798 8.3800 k = 0.1974 0.3365 0.3266 ( 6008 PWs) bands (ev): -36.6564 -36.6564 -36.6560 -36.6560 -17.9419 -17.9419 -17.9415 -17.9415 -17.5790 -17.5790 -17.5788 -17.5788 -17.5528 -17.5528 -17.5526 -17.5526 -11.0329 -11.0329 -11.0328 -11.0328 -10.8557 -10.8557 -10.8556 -10.8556 -0.4998 -0.4998 -0.4998 -0.4998 0.0940 0.0940 0.0941 0.0941 0.7453 0.7453 0.7455 0.7455 0.9125 0.9125 0.9125 0.9125 1.1610 1.1610 1.1611 1.1611 1.2621 1.2621 1.2621 1.2621 7.7778 7.7778 7.7780 7.7780 8.0330 8.0330 8.0333 8.0333 8.4000 8.4001 k = 0.1842 0.3365 0.3266 ( 6004 PWs) bands (ev): -36.6565 -36.6565 -36.6561 -36.6561 -17.9414 -17.9414 -17.9410 -17.9410 -17.5789 -17.5789 -17.5788 -17.5788 -17.5514 -17.5514 -17.5512 -17.5512 -11.0397 -11.0397 -11.0396 -11.0396 -10.8535 -10.8535 -10.8534 -10.8534 -0.5011 -0.5011 -0.5011 -0.5011 0.1173 0.1173 0.1174 0.1174 0.7656 0.7656 0.7657 0.7657 0.9088 0.9088 0.9089 0.9089 1.1499 1.1499 1.1500 1.1500 1.2559 1.2559 1.2560 1.2560 7.7409 7.7409 7.7411 7.7411 8.0408 8.0408 8.0410 8.0410 8.4195 8.4198 k = 0.1711 0.3365 0.3266 ( 6004 PWs) bands (ev): -36.6566 -36.6566 -36.6562 -36.6562 -17.9409 -17.9409 -17.9405 -17.9405 -17.5790 -17.5790 -17.5788 -17.5788 -17.5499 -17.5499 -17.5497 -17.5497 -11.0463 -11.0463 -11.0462 -11.0462 -10.8514 -10.8514 -10.8513 -10.8513 -0.5028 -0.5028 -0.5028 -0.5028 0.1416 0.1416 0.1417 0.1417 0.7853 0.7853 0.7855 0.7855 0.9012 0.9012 0.9013 0.9013 1.1419 1.1419 1.1419 1.1419 1.2502 1.2502 1.2502 1.2502 7.7051 7.7051 7.7053 7.7053 8.0493 8.0493 8.0495 8.0495 8.4385 8.4387 k = 0.1579 0.3365 0.3266 ( 6000 PWs) bands (ev): -36.6567 -36.6567 -36.6562 -36.6562 -17.9405 -17.9405 -17.9401 -17.9401 -17.5791 -17.5791 -17.5788 -17.5788 -17.5485 -17.5485 -17.5483 -17.5483 -11.0526 -11.0526 -11.0525 -11.0525 -10.8494 -10.8494 -10.8493 -10.8493 -0.5049 -0.5049 -0.5049 -0.5049 0.1670 0.1670 0.1671 0.1671 0.8035 0.8035 0.8037 0.8037 0.8904 0.8904 0.8905 0.8905 1.1370 1.1370 1.1371 1.1371 1.2447 1.2447 1.2447 1.2447 7.6708 7.6708 7.6710 7.6710 8.0583 8.0583 8.0586 8.0586 8.4563 8.4564 k = 0.1447 0.3365 0.3266 ( 5992 PWs) bands (ev): -36.6568 -36.6568 -36.6563 -36.6563 -17.9401 -17.9401 -17.9396 -17.9396 -17.5792 -17.5792 -17.5789 -17.5789 -17.5470 -17.5470 -17.5468 -17.5468 -11.0585 -11.0585 -11.0584 -11.0584 -10.8475 -10.8475 -10.8474 -10.8474 -0.5073 -0.5073 -0.5073 -0.5073 0.1934 0.1934 0.1935 0.1935 0.8173 0.8173 0.8174 0.8174 0.8794 0.8794 0.8795 0.8795 1.1350 1.1350 1.1350 1.1350 1.2396 1.2396 1.2396 1.2396 7.6381 7.6381 7.6383 7.6383 8.0679 8.0679 8.0681 8.0681 8.4729 8.4731 k = 0.1316 0.3365 0.3266 ( 6000 PWs) bands (ev): -36.6569 -36.6569 -36.6564 -36.6564 -17.9397 -17.9397 -17.9393 -17.9393 -17.5794 -17.5794 -17.5791 -17.5791 -17.5457 -17.5457 -17.5454 -17.5454 -11.0641 -11.0641 -11.0640 -11.0640 -10.8458 -10.8458 -10.8457 -10.8457 -0.5098 -0.5098 -0.5098 -0.5098 0.2208 0.2208 0.2208 0.2208 0.8191 0.8191 0.8192 0.8192 0.8760 0.8760 0.8762 0.8762 1.1352 1.1352 1.1353 1.1353 1.2348 1.2348 1.2349 1.2349 7.6072 7.6072 7.6074 7.6074 8.0778 8.0778 8.0780 8.0780 8.4881 8.4882 k = 0.1184 0.3365 0.3266 ( 5996 PWs) bands (ev): -36.6569 -36.6569 -36.6565 -36.6565 -17.9394 -17.9394 -17.9390 -17.9390 -17.5795 -17.5795 -17.5792 -17.5792 -17.5443 -17.5443 -17.5441 -17.5441 -11.0693 -11.0693 -11.0692 -11.0692 -10.8441 -10.8441 -10.8440 -10.8440 -0.5124 -0.5124 -0.5124 -0.5124 0.2490 0.2490 0.2491 0.2491 0.8051 0.8051 0.8052 0.8052 0.8846 0.8846 0.8848 0.8848 1.1371 1.1371 1.1371 1.1371 1.2305 1.2305 1.2305 1.2305 7.5784 7.5784 7.5786 7.5786 8.0878 8.0878 8.0880 8.0880 8.5013 8.5016 k = 0.1053 0.3365 0.3266 ( 5992 PWs) bands (ev): -36.6570 -36.6570 -36.6565 -36.6565 -17.9391 -17.9391 -17.9387 -17.9387 -17.5797 -17.5797 -17.5794 -17.5794 -17.5431 -17.5431 -17.5428 -17.5428 -11.0740 -11.0740 -11.0739 -11.0739 -10.8426 -10.8426 -10.8425 -10.8425 -0.5150 -0.5150 -0.5150 -0.5150 0.2781 0.2781 0.2781 0.2781 0.7824 0.7824 0.7825 0.7825 0.8983 0.8983 0.8985 0.8985 1.1399 1.1399 1.1399 1.1399 1.2265 1.2265 1.2265 1.2265 7.5519 7.5519 7.5520 7.5520 8.0977 8.0977 8.0979 8.0979 8.5128 8.5129 k = 0.0921 0.3365 0.3266 ( 5988 PWs) bands (ev): -36.6570 -36.6570 -36.6566 -36.6566 -17.9388 -17.9388 -17.9384 -17.9384 -17.5798 -17.5798 -17.5796 -17.5796 -17.5419 -17.5419 -17.5416 -17.5416 -11.0782 -11.0782 -11.0781 -11.0781 -10.8413 -10.8413 -10.8412 -10.8412 -0.5175 -0.5175 -0.5175 -0.5175 0.3079 0.3079 0.3080 0.3080 0.7557 0.7557 0.7558 0.7558 0.9128 0.9128 0.9130 0.9130 1.1433 1.1433 1.1433 1.1433 1.2229 1.2229 1.2229 1.2229 7.5278 7.5278 7.5280 7.5280 8.1072 8.1073 8.1075 8.1075 8.5221 8.5222 k = 0.0789 0.3365 0.3266 ( 5988 PWs) bands (ev): -36.6571 -36.6571 -36.6566 -36.6566 -17.9386 -17.9386 -17.9382 -17.9382 -17.5800 -17.5800 -17.5797 -17.5797 -17.5409 -17.5409 -17.5406 -17.5406 -11.0819 -11.0819 -11.0818 -11.0818 -10.8401 -10.8401 -10.8400 -10.8400 -0.5198 -0.5198 -0.5198 -0.5198 0.3384 0.3384 0.3385 0.3385 0.7268 0.7268 0.7269 0.7269 0.9264 0.9264 0.9266 0.9266 1.1468 1.1468 1.1468 1.1468 1.2198 1.2198 1.2198 1.2198 7.5065 7.5065 7.5066 7.5066 8.1162 8.1162 8.1165 8.1165 8.5295 8.5295 k = 0.0658 0.3365 0.3266 ( 6000 PWs) bands (ev): -36.6571 -36.6571 -36.6567 -36.6567 -17.9384 -17.9384 -17.9380 -17.9380 -17.5802 -17.5802 -17.5799 -17.5799 -17.5401 -17.5401 -17.5397 -17.5397 -11.0851 -11.0851 -11.0850 -11.0850 -10.8391 -10.8391 -10.8390 -10.8390 -0.5219 -0.5219 -0.5219 -0.5219 0.3695 0.3695 0.3696 0.3696 0.6964 0.6964 0.6965 0.6965 0.9386 0.9386 0.9388 0.9388 1.1502 1.1502 1.1502 1.1502 1.2171 1.2171 1.2171 1.2171 7.4880 7.4880 7.4881 7.4881 8.1243 8.1243 8.1245 8.1245 8.5347 8.5349 k = 0.0526 0.3365 0.3266 ( 6000 PWs) bands (ev): -36.6572 -36.6572 -36.6567 -36.6567 -17.9383 -17.9383 -17.9378 -17.9378 -17.5803 -17.5803 -17.5800 -17.5800 -17.5393 -17.5393 -17.5390 -17.5390 -11.0878 -11.0878 -11.0877 -11.0877 -10.8382 -10.8382 -10.8381 -10.8381 -0.5237 -0.5237 -0.5237 -0.5237 0.4011 0.4011 0.4012 0.4012 0.6651 0.6651 0.6652 0.6652 0.9489 0.9489 0.9491 0.9491 1.1532 1.1532 1.1532 1.1532 1.2149 1.2149 1.2149 1.2149 7.4726 7.4726 7.4728 7.4728 8.1313 8.1313 8.1315 8.1315 8.5382 8.5383 k = 0.0395 0.3365 0.3266 ( 5992 PWs) bands (ev): -36.6572 -36.6572 -36.6567 -36.6567 -17.9382 -17.9382 -17.9377 -17.9377 -17.5804 -17.5804 -17.5801 -17.5801 -17.5387 -17.5387 -17.5384 -17.5384 -11.0899 -11.0899 -11.0898 -11.0898 -10.8376 -10.8376 -10.8375 -10.8375 -0.5252 -0.5252 -0.5252 -0.5252 0.4331 0.4331 0.4332 0.4332 0.6331 0.6331 0.6333 0.6333 0.9571 0.9571 0.9573 0.9573 1.1557 1.1557 1.1557 1.1557 1.2131 1.2131 1.2132 1.2132 7.4605 7.4605 7.4607 7.4607 8.1370 8.1370 8.1372 8.1373 8.5402 8.5404 k = 0.0263 0.3365 0.3266 ( 5992 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9381 -17.9381 -17.9376 -17.9376 -17.5804 -17.5804 -17.5801 -17.5801 -17.5383 -17.5383 -17.5380 -17.5380 -11.0914 -11.0914 -11.0913 -11.0913 -10.8371 -10.8371 -10.8370 -10.8370 -0.5262 -0.5262 -0.5262 -0.5262 0.4651 0.4651 0.4652 0.4652 0.6011 0.6011 0.6012 0.6012 0.9631 0.9631 0.9633 0.9633 1.1576 1.1576 1.1576 1.1576 1.2119 1.2119 1.2119 1.2119 7.4517 7.4517 7.4519 7.4519 8.1412 8.1412 8.1415 8.1415 8.5412 8.5414 k = 0.0132 0.3365 0.3266 ( 5988 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9380 -17.9380 -17.9376 -17.9376 -17.5805 -17.5805 -17.5802 -17.5802 -17.5380 -17.5380 -17.5377 -17.5377 -11.0923 -11.0923 -11.0922 -11.0922 -10.8368 -10.8368 -10.8367 -10.8367 -0.5269 -0.5269 -0.5269 -0.5269 0.4962 0.4962 0.4962 0.4962 0.5699 0.5699 0.5701 0.5701 0.9668 0.9668 0.9670 0.9670 1.1588 1.1588 1.1588 1.1588 1.2111 1.2111 1.2111 1.2111 7.4465 7.4465 7.4466 7.4466 8.1438 8.1438 8.1440 8.1440 8.5417 8.5417 k = 0.0000 0.3365 0.3266 ( 5992 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9380 -17.9380 -17.9376 -17.9376 -17.5805 -17.5805 -17.5802 -17.5802 -17.5380 -17.5380 -17.5376 -17.5376 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.5271 -0.5271 -0.5271 -0.5271 0.5167 0.5167 0.5168 0.5168 0.5493 0.5493 0.5495 0.5495 0.9680 0.9680 0.9682 0.9682 1.1592 1.1592 1.1592 1.1592 1.2109 1.2109 1.2109 1.2109 7.4447 7.4447 7.4448 7.4448 8.1447 8.1447 8.1449 8.1449 8.5418 8.5420 k = 0.0000 0.3365 0.3266 ( 5992 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9380 -17.9380 -17.9376 -17.9376 -17.5805 -17.5805 -17.5802 -17.5802 -17.5380 -17.5380 -17.5376 -17.5376 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.5271 -0.5271 -0.5271 -0.5271 0.5167 0.5167 0.5168 0.5168 0.5493 0.5493 0.5495 0.5495 0.9680 0.9680 0.9682 0.9682 1.1592 1.1592 1.1592 1.1592 1.2109 1.2109 1.2109 1.2109 7.4447 7.4447 7.4448 7.4448 8.1447 8.1447 8.1449 8.1449 8.5418 8.5420 k = 0.0000 0.3236 0.3266 ( 5994 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9380 -17.9380 -17.9376 -17.9376 -17.5805 -17.5805 -17.5802 -17.5802 -17.5380 -17.5380 -17.5376 -17.5376 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.5265 -0.5265 -0.5265 -0.5265 0.5165 0.5165 0.5165 0.5165 0.5493 0.5493 0.5495 0.5495 0.9679 0.9679 0.9681 0.9681 1.1515 1.1515 1.1515 1.1515 1.2180 1.2180 1.2180 1.2180 7.4453 7.4453 7.4454 7.4454 8.1454 8.1454 8.1457 8.1457 8.5411 8.5412 k = 0.0000 0.3107 0.3266 ( 5994 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9380 -17.9380 -17.9375 -17.9375 -17.5805 -17.5805 -17.5801 -17.5801 -17.5380 -17.5380 -17.5377 -17.5377 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.5248 -0.5248 -0.5248 -0.5248 0.5158 0.5158 0.5158 0.5158 0.5494 0.5494 0.5496 0.5496 0.9677 0.9677 0.9679 0.9679 1.1349 1.1349 1.1349 1.1349 1.2332 1.2332 1.2332 1.2332 7.4472 7.4472 7.4473 7.4473 8.1477 8.1477 8.1479 8.1479 8.5390 8.5392 k = 0.0000 0.2977 0.3266 ( 6002 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9380 -17.9380 -17.9375 -17.9375 -17.5804 -17.5804 -17.5801 -17.5801 -17.5381 -17.5381 -17.5378 -17.5378 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.5219 -0.5219 -0.5219 -0.5219 0.5147 0.5147 0.5147 0.5147 0.5495 0.5495 0.5497 0.5497 0.9673 0.9673 0.9675 0.9675 1.1151 1.1151 1.1151 1.1151 1.2505 1.2505 1.2505 1.2505 7.4502 7.4502 7.4504 7.4504 8.1515 8.1515 8.1517 8.1517 8.5356 8.5358 k = 0.0000 0.2848 0.3266 ( 6006 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9380 -17.9380 -17.9375 -17.9375 -17.5803 -17.5803 -17.5800 -17.5800 -17.5383 -17.5383 -17.5379 -17.5379 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.5180 -0.5180 -0.5180 -0.5180 0.5131 0.5131 0.5132 0.5132 0.5496 0.5496 0.5498 0.5498 0.9666 0.9666 0.9668 0.9668 1.0941 1.0941 1.0941 1.0941 1.2683 1.2683 1.2683 1.2683 7.4544 7.4544 7.4546 7.4546 8.1567 8.1567 8.1569 8.1569 8.5309 8.5311 k = 0.0000 0.2718 0.3266 ( 5998 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9379 -17.9379 -17.9375 -17.9375 -17.5802 -17.5802 -17.5798 -17.5798 -17.5384 -17.5384 -17.5381 -17.5381 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.5130 -0.5130 -0.5130 -0.5130 0.5112 0.5112 0.5113 0.5113 0.5497 0.5497 0.5499 0.5499 0.9655 0.9655 0.9657 0.9657 1.0727 1.0727 1.0727 1.0727 1.2859 1.2859 1.2859 1.2859 7.4596 7.4596 7.4597 7.4597 8.1633 8.1633 8.1636 8.1636 8.5249 8.5251 k = 0.0000 0.2589 0.3266 ( 5994 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9379 -17.9379 -17.9374 -17.9374 -17.5800 -17.5800 -17.5797 -17.5797 -17.5386 -17.5386 -17.5383 -17.5383 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.5069 -0.5069 -0.5069 -0.5069 0.5090 0.5090 0.5090 0.5090 0.5498 0.5498 0.5500 0.5500 0.9636 0.9636 0.9637 0.9637 1.0514 1.0514 1.0514 1.0514 1.3032 1.3032 1.3032 1.3032 7.4656 7.4656 7.4657 7.4657 8.1714 8.1714 8.1716 8.1716 8.5177 8.5178 k = 0.0000 0.2459 0.3266 ( 6000 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9378 -17.9378 -17.9374 -17.9374 -17.5799 -17.5799 -17.5795 -17.5795 -17.5389 -17.5389 -17.5385 -17.5385 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.4999 -0.4999 -0.4998 -0.4998 0.5065 0.5065 0.5065 0.5065 0.5498 0.5498 0.5500 0.5500 0.9602 0.9602 0.9603 0.9603 1.0311 1.0311 1.0312 1.0312 1.3199 1.3199 1.3199 1.3199 7.4722 7.4722 7.4724 7.4724 8.1808 8.1808 8.1810 8.1810 8.5093 8.5095 k = 0.0000 0.2330 0.3266 ( 5998 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9377 -17.9377 -17.9373 -17.9373 -17.5797 -17.5797 -17.5793 -17.5793 -17.5391 -17.5391 -17.5388 -17.5388 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.4919 -0.4919 -0.4919 -0.4919 0.5037 0.5037 0.5037 0.5037 0.5498 0.5498 0.5500 0.5500 0.9539 0.9539 0.9540 0.9540 1.0134 1.0134 1.0135 1.0135 1.3361 1.3361 1.3361 1.3361 7.4793 7.4793 7.4795 7.4795 8.1914 8.1914 8.1917 8.1917 8.5001 8.5002 k = 0.0000 0.2200 0.3266 ( 5998 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9377 -17.9377 -17.9372 -17.9372 -17.5795 -17.5795 -17.5791 -17.5791 -17.5394 -17.5394 -17.5390 -17.5390 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.4831 -0.4831 -0.4831 -0.4831 0.5007 0.5007 0.5007 0.5007 0.5498 0.5498 0.5500 0.5500 0.9429 0.9429 0.9430 0.9430 1.0002 1.0002 1.0003 1.0003 1.3517 1.3517 1.3517 1.3517 7.4867 7.4867 7.4869 7.4869 8.2033 8.2033 8.2036 8.2036 8.4901 8.4903 k = 0.0000 0.2071 0.3266 ( 6006 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9376 -17.9376 -17.9372 -17.9372 -17.5793 -17.5793 -17.5789 -17.5789 -17.5397 -17.5397 -17.5394 -17.5394 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.4735 -0.4735 -0.4735 -0.4735 0.4976 0.4976 0.4976 0.4976 0.5497 0.5497 0.5499 0.5499 0.9268 0.9268 0.9268 0.9268 0.9921 0.9921 0.9923 0.9923 1.3666 1.3666 1.3666 1.3666 7.4942 7.4942 7.4944 7.4944 8.2163 8.2163 8.2165 8.2166 8.4797 8.4798 k = 0.0000 0.1942 0.3266 ( 6012 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9376 -17.9376 -17.9371 -17.9371 -17.5790 -17.5790 -17.5787 -17.5787 -17.5401 -17.5401 -17.5397 -17.5397 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.4632 -0.4632 -0.4632 -0.4632 0.4943 0.4943 0.4943 0.4943 0.5496 0.5496 0.5498 0.5498 0.9070 0.9070 0.9070 0.9070 0.9877 0.9877 0.9879 0.9879 1.3808 1.3808 1.3809 1.3809 7.5016 7.5016 7.5017 7.5017 8.2303 8.2303 8.2305 8.2305 8.4690 8.4691 k = 0.0000 0.1812 0.3266 ( 6010 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9375 -17.9375 -17.9370 -17.9370 -17.5788 -17.5788 -17.5784 -17.5784 -17.5404 -17.5404 -17.5400 -17.5400 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.4524 -0.4524 -0.4524 -0.4524 0.4910 0.4910 0.4910 0.4910 0.5495 0.5495 0.5496 0.5496 0.8854 0.8854 0.8854 0.8854 0.9853 0.9853 0.9855 0.9855 1.3944 1.3944 1.3944 1.3944 7.5087 7.5087 7.5088 7.5088 8.2451 8.2451 8.2454 8.2454 8.4583 8.4584 k = 0.0000 0.1683 0.3266 ( 6008 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9374 -17.9374 -17.9370 -17.9370 -17.5785 -17.5785 -17.5781 -17.5781 -17.5407 -17.5407 -17.5403 -17.5403 -11.0926 -11.0926 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.4411 -0.4411 -0.4411 -0.4411 0.4876 0.4876 0.4876 0.4876 0.5493 0.5493 0.5494 0.5494 0.8631 0.8631 0.8631 0.8631 0.9840 0.9840 0.9841 0.9841 1.4071 1.4071 1.4072 1.4072 7.5154 7.5154 7.5155 7.5155 8.2607 8.2607 8.2610 8.2610 8.4477 8.4478 k = 0.0000 0.1553 0.3266 ( 6004 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9373 -17.9373 -17.9369 -17.9369 -17.5783 -17.5783 -17.5779 -17.5779 -17.5411 -17.5411 -17.5407 -17.5407 -11.0927 -11.0927 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.4295 -0.4295 -0.4295 -0.4295 0.4842 0.4842 0.4842 0.4842 0.5490 0.5490 0.5492 0.5492 0.8407 0.8407 0.8408 0.8408 0.9832 0.9832 0.9834 0.9834 1.4192 1.4192 1.4192 1.4192 7.5215 7.5215 7.5216 7.5216 8.2769 8.2769 8.2771 8.2771 8.4375 8.4376 k = 0.0000 0.1424 0.3266 ( 6006 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9373 -17.9373 -17.9368 -17.9368 -17.5780 -17.5780 -17.5776 -17.5776 -17.5414 -17.5414 -17.5410 -17.5410 -11.0927 -11.0927 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.4178 -0.4178 -0.4178 -0.4178 0.4808 0.4808 0.4808 0.4808 0.5487 0.5487 0.5489 0.5489 0.8188 0.8188 0.8188 0.8188 0.9828 0.9828 0.9830 0.9830 1.4303 1.4303 1.4304 1.4304 7.5270 7.5270 7.5272 7.5272 8.2933 8.2934 8.2936 8.2936 8.4278 8.4280 k = 0.0000 0.1294 0.3266 ( 6014 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9372 -17.9372 -17.9367 -17.9367 -17.5777 -17.5777 -17.5774 -17.5774 -17.5418 -17.5418 -17.5414 -17.5414 -11.0927 -11.0927 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.4061 -0.4061 -0.4061 -0.4061 0.4775 0.4775 0.4775 0.4775 0.5484 0.5484 0.5486 0.5486 0.7976 0.7976 0.7976 0.7976 0.9826 0.9826 0.9827 0.9827 1.4407 1.4407 1.4407 1.4407 7.5318 7.5318 7.5320 7.5320 8.3100 8.3100 8.3103 8.3103 8.4187 8.4188 k = 0.0000 0.1165 0.3266 ( 6022 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9371 -17.9371 -17.9367 -17.9367 -17.5775 -17.5775 -17.5771 -17.5771 -17.5421 -17.5421 -17.5417 -17.5417 -11.0927 -11.0927 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.3946 -0.3946 -0.3946 -0.3946 0.4743 0.4743 0.4744 0.4744 0.5481 0.5481 0.5482 0.5482 0.7775 0.7775 0.7775 0.7775 0.9825 0.9825 0.9827 0.9827 1.4502 1.4502 1.4502 1.4502 7.5360 7.5360 7.5361 7.5361 8.3265 8.3265 8.3268 8.3268 8.4104 8.4105 k = 0.0000 0.1036 0.3266 ( 6026 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9371 -17.9371 -17.9366 -17.9366 -17.5773 -17.5773 -17.5769 -17.5769 -17.5424 -17.5424 -17.5420 -17.5420 -11.0927 -11.0927 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.3835 -0.3835 -0.3835 -0.3835 0.4713 0.4713 0.4713 0.4713 0.5477 0.5477 0.5478 0.5478 0.7586 0.7586 0.7586 0.7586 0.9825 0.9825 0.9827 0.9827 1.4588 1.4588 1.4588 1.4588 7.5394 7.5394 7.5396 7.5396 8.3426 8.3426 8.3429 8.3429 8.4029 8.4030 k = 0.0000 0.0906 0.3266 ( 6016 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9370 -17.9370 -17.9366 -17.9366 -17.5770 -17.5770 -17.5766 -17.5766 -17.5427 -17.5427 -17.5423 -17.5423 -11.0927 -11.0927 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.3731 -0.3731 -0.3730 -0.3730 0.4684 0.4684 0.4684 0.4684 0.5473 0.5473 0.5474 0.5474 0.7413 0.7413 0.7413 0.7413 0.9826 0.9826 0.9827 0.9827 1.4664 1.4664 1.4664 1.4664 7.5423 7.5423 7.5425 7.5425 8.3579 8.3580 8.3583 8.3584 8.3962 8.3964 k = 0.0000 0.0777 0.3266 ( 6022 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9370 -17.9370 -17.9365 -17.9365 -17.5769 -17.5769 -17.5764 -17.5764 -17.5430 -17.5430 -17.5426 -17.5426 -11.0927 -11.0927 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.3634 -0.3634 -0.3634 -0.3634 0.4658 0.4658 0.4658 0.4658 0.5469 0.5469 0.5470 0.5470 0.7257 0.7257 0.7257 0.7257 0.9827 0.9827 0.9828 0.9828 1.4731 1.4731 1.4731 1.4731 7.5446 7.5446 7.5447 7.5447 8.3720 8.3723 8.3723 8.3747 8.3907 8.3908 k = 0.0000 0.0647 0.3266 ( 6014 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9369 -17.9369 -17.9364 -17.9364 -17.5767 -17.5767 -17.5762 -17.5762 -17.5432 -17.5432 -17.5428 -17.5428 -11.0927 -11.0927 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.3547 -0.3547 -0.3547 -0.3547 0.4634 0.4634 0.4634 0.4634 0.5465 0.5465 0.5466 0.5466 0.7122 0.7122 0.7122 0.7122 0.9828 0.9828 0.9829 0.9829 1.4788 1.4788 1.4788 1.4788 7.5463 7.5463 7.5465 7.5465 8.3818 8.3819 8.3823 8.3833 8.3891 8.3892 k = 0.0000 0.0518 0.3266 ( 6010 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9369 -17.9369 -17.9364 -17.9364 -17.5765 -17.5765 -17.5761 -17.5761 -17.5434 -17.5434 -17.5430 -17.5430 -11.0927 -11.0927 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.3473 -0.3473 -0.3473 -0.3473 0.4613 0.4613 0.4614 0.4614 0.5461 0.5461 0.5463 0.5463 0.7008 0.7008 0.7009 0.7009 0.9828 0.9828 0.9830 0.9830 1.4835 1.4835 1.4835 1.4835 7.5476 7.5476 7.5478 7.5478 8.3801 8.3802 8.3804 8.3804 8.3980 8.3982 k = 0.0000 0.0388 0.3266 ( 6002 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9364 -17.9364 -17.5764 -17.5764 -17.5759 -17.5759 -17.5436 -17.5436 -17.5431 -17.5431 -11.0927 -11.0927 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.3414 -0.3414 -0.3413 -0.3413 0.4597 0.4597 0.4597 0.4597 0.5458 0.5458 0.5460 0.5460 0.6919 0.6919 0.6919 0.6919 0.9829 0.9829 0.9831 0.9831 1.4872 1.4872 1.4872 1.4872 7.5486 7.5486 7.5487 7.5487 8.3772 8.3773 8.3775 8.3775 8.4071 8.4072 k = 0.0000 0.0259 0.3266 ( 6002 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9363 -17.9363 -17.5763 -17.5763 -17.5758 -17.5758 -17.5437 -17.5437 -17.5432 -17.5432 -11.0927 -11.0927 -11.0926 -11.0926 -10.8367 -10.8367 -10.8366 -10.8366 -0.3370 -0.3370 -0.3369 -0.3369 0.4585 0.4585 0.4585 0.4585 0.5456 0.5456 0.5457 0.5457 0.6854 0.6854 0.6854 0.6854 0.9830 0.9830 0.9831 0.9831 1.4898 1.4898 1.4898 1.4898 7.5492 7.5492 7.5494 7.5494 8.3751 8.3751 8.3753 8.3753 8.4137 8.4140 k = 0.0000 0.0129 0.3266 ( 6006 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9363 -17.9363 -17.5762 -17.5762 -17.5758 -17.5758 -17.5438 -17.5438 -17.5433 -17.5433 -11.0927 -11.0927 -11.0927 -11.0927 -10.8367 -10.8367 -10.8366 -10.8366 -0.3343 -0.3343 -0.3343 -0.3343 0.4577 0.4577 0.4577 0.4577 0.5454 0.5454 0.5456 0.5456 0.6814 0.6814 0.6814 0.6814 0.9830 0.9830 0.9831 0.9831 1.4914 1.4914 1.4914 1.4914 7.5496 7.5496 7.5497 7.5497 8.3737 8.3737 8.3740 8.3740 8.4179 8.4181 k = 0.0000 0.0000 0.3266 ( 6006 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9363 -17.9363 -17.5762 -17.5762 -17.5758 -17.5758 -17.5438 -17.5438 -17.5433 -17.5433 -11.0927 -11.0927 -11.0927 -11.0927 -10.8367 -10.8367 -10.8366 -10.8366 -0.3334 -0.3334 -0.3333 -0.3333 0.4574 0.4574 0.4575 0.4575 0.5454 0.5454 0.5455 0.5455 0.6801 0.6801 0.6801 0.6801 0.9830 0.9830 0.9832 0.9832 1.4919 1.4919 1.4919 1.4919 7.5497 7.5497 7.5498 7.5498 8.3733 8.3733 8.3736 8.3736 8.4193 8.4196 k = 0.0000 0.3365-0.0000 ( 6034 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9364 -17.9364 -17.5762 -17.5762 -17.5758 -17.5758 -17.5438 -17.5438 -17.5434 -17.5434 -11.0841 -11.0841 -11.0841 -11.0841 -10.8460 -10.8460 -10.8460 -10.8460 -0.4343 -0.4343 -0.4343 -0.4343 0.5047 0.5047 0.5048 0.5048 0.5351 0.5351 0.5351 0.5351 0.6683 0.6683 0.6683 0.6683 1.0213 1.0213 1.0214 1.0214 1.5980 1.5980 1.5980 1.5980 7.5981 7.5981 7.5983 7.5983 8.3647 8.3647 8.3650 8.3650 8.4523 8.4525 k = 0.0000 0.3365 0.0131 ( 6010 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9363 -17.9363 -17.5762 -17.5762 -17.5758 -17.5758 -17.5438 -17.5438 -17.5433 -17.5433 -11.0842 -11.0842 -11.0841 -11.0841 -10.8460 -10.8460 -10.8459 -10.8459 -0.4346 -0.4346 -0.4346 -0.4346 0.5043 0.5043 0.5044 0.5044 0.5341 0.5341 0.5341 0.5341 0.6711 0.6711 0.6712 0.6712 1.0212 1.0212 1.0213 1.0213 1.5970 1.5970 1.5970 1.5970 7.5979 7.5979 7.5980 7.5980 8.3635 8.3635 8.3639 8.3639 8.4528 8.4529 k = 0.0000 0.3365 0.0261 ( 6004 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9363 -17.9363 -17.5762 -17.5762 -17.5758 -17.5758 -17.5437 -17.5437 -17.5432 -17.5432 -11.0843 -11.0843 -11.0842 -11.0842 -10.8458 -10.8458 -10.8458 -10.8458 -0.4357 -0.4357 -0.4357 -0.4357 0.5029 0.5029 0.5031 0.5031 0.5316 0.5316 0.5317 0.5317 0.6793 0.6793 0.6793 0.6793 1.0207 1.0207 1.0209 1.0209 1.5939 1.5939 1.5940 1.5940 7.5971 7.5971 7.5972 7.5972 8.3600 8.3600 8.3604 8.3604 8.4540 8.4541 k = 0.0000 0.3365 0.0392 ( 6004 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9364 -17.9364 -17.5763 -17.5763 -17.5759 -17.5759 -17.5436 -17.5436 -17.5431 -17.5431 -11.0844 -11.0844 -11.0844 -11.0844 -10.8457 -10.8457 -10.8456 -10.8456 -0.4375 -0.4375 -0.4375 -0.4375 0.5004 0.5004 0.5005 0.5005 0.5288 0.5288 0.5288 0.5288 0.6917 0.6917 0.6917 0.6917 1.0200 1.0200 1.0202 1.0202 1.5890 1.5890 1.5890 1.5890 7.5957 7.5957 7.5958 7.5958 8.3543 8.3543 8.3546 8.3546 8.4560 8.4561 k = 0.0000 0.3365 0.0523 ( 6012 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9368 -17.9368 -17.9364 -17.9364 -17.5765 -17.5765 -17.5761 -17.5761 -17.5434 -17.5434 -17.5430 -17.5430 -11.0847 -11.0847 -11.0846 -11.0846 -10.8454 -10.8454 -10.8454 -10.8454 -0.4400 -0.4400 -0.4400 -0.4400 0.4967 0.4967 0.4968 0.4968 0.5266 0.5266 0.5267 0.5267 0.7073 0.7073 0.7073 0.7073 1.0191 1.0191 1.0192 1.0192 1.5820 1.5820 1.5820 1.5820 7.5936 7.5936 7.5938 7.5938 8.3465 8.3465 8.3468 8.3468 8.4591 8.4592 k = 0.0000 0.3365 0.0653 ( 6016 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9369 -17.9369 -17.9364 -17.9364 -17.5767 -17.5767 -17.5762 -17.5762 -17.5432 -17.5432 -17.5427 -17.5427 -11.0850 -11.0850 -11.0849 -11.0849 -10.8451 -10.8451 -10.8450 -10.8450 -0.4431 -0.4431 -0.4431 -0.4431 0.4922 0.4922 0.4923 0.4923 0.5255 0.5255 0.5256 0.5256 0.7253 0.7253 0.7254 0.7254 1.0179 1.0179 1.0180 1.0180 1.5732 1.5732 1.5733 1.5733 7.5908 7.5908 7.5910 7.5910 8.3369 8.3370 8.3373 8.3373 8.4630 8.4631 k = 0.0000 0.3365 0.0784 ( 6010 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9369 -17.9369 -17.9365 -17.9365 -17.5769 -17.5769 -17.5764 -17.5764 -17.5429 -17.5429 -17.5425 -17.5425 -11.0853 -11.0853 -11.0852 -11.0852 -10.8447 -10.8447 -10.8446 -10.8446 -0.4468 -0.4468 -0.4468 -0.4468 0.4875 0.4875 0.4876 0.4876 0.5253 0.5253 0.5254 0.5254 0.7451 0.7451 0.7451 0.7451 1.0165 1.0165 1.0166 1.0166 1.5627 1.5627 1.5627 1.5627 7.5872 7.5872 7.5873 7.5873 8.3260 8.3260 8.3263 8.3263 8.4681 8.4683 k = 0.0000 0.3365 0.0914 ( 6008 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9370 -17.9370 -17.9365 -17.9365 -17.5771 -17.5771 -17.5767 -17.5767 -17.5426 -17.5426 -17.5422 -17.5422 -11.0857 -11.0857 -11.0856 -11.0856 -10.8443 -10.8443 -10.8442 -10.8442 -0.4511 -0.4511 -0.4511 -0.4511 0.4832 0.4832 0.4833 0.4833 0.5258 0.5258 0.5260 0.5260 0.7661 0.7661 0.7661 0.7661 1.0149 1.0149 1.0151 1.0151 1.5504 1.5504 1.5504 1.5504 7.5826 7.5826 7.5828 7.5828 8.3138 8.3138 8.3142 8.3142 8.4745 8.4747 k = 0.0000 0.3365 0.1045 ( 6008 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9371 -17.9371 -17.9366 -17.9366 -17.5773 -17.5773 -17.5769 -17.5769 -17.5423 -17.5423 -17.5419 -17.5419 -11.0861 -11.0861 -11.0861 -11.0861 -10.8438 -10.8438 -10.8437 -10.8437 -0.4558 -0.4558 -0.4558 -0.4558 0.4797 0.4797 0.4797 0.4797 0.5268 0.5268 0.5270 0.5270 0.7879 0.7879 0.7880 0.7880 1.0132 1.0132 1.0134 1.0134 1.5365 1.5365 1.5365 1.5365 7.5770 7.5770 7.5772 7.5772 8.3008 8.3008 8.3011 8.3011 8.4819 8.4821 k = 0.0000 0.3365 0.1176 ( 5998 PWs) bands (ev): -36.6573 -36.6573 -36.6568 -36.6568 -17.9371 -17.9371 -17.9367 -17.9367 -17.5776 -17.5776 -17.5772 -17.5772 -17.5420 -17.5420 -17.5415 -17.5415 -11.0866 -11.0866 -11.0865 -11.0865 -10.8433 -10.8433 -10.8432 -10.8432 -0.4610 -0.4610 -0.4610 -0.4610 0.4772 0.4772 0.4772 0.4772 0.5281 0.5281 0.5283 0.5283 0.8103 0.8103 0.8103 0.8103 1.0115 1.0115 1.0116 1.0116 1.5212 1.5212 1.5212 1.5212 7.5705 7.5705 7.5706 7.5706 8.2873 8.2873 8.2876 8.2876 8.4906 8.4908 k = 0.0000 0.3365 0.1306 ( 5990 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9372 -17.9372 -17.9367 -17.9367 -17.5778 -17.5778 -17.5774 -17.5774 -17.5416 -17.5416 -17.5412 -17.5412 -11.0871 -11.0871 -11.0870 -11.0870 -10.8427 -10.8427 -10.8426 -10.8426 -0.4664 -0.4664 -0.4664 -0.4664 0.4757 0.4757 0.4758 0.4758 0.5297 0.5297 0.5299 0.5299 0.8330 0.8330 0.8330 0.8330 1.0098 1.0098 1.0099 1.0099 1.5045 1.5045 1.5045 1.5045 7.5629 7.5629 7.5631 7.5631 8.2734 8.2734 8.2737 8.2737 8.5003 8.5004 k = 0.0000 0.3365 0.1437 ( 5990 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9372 -17.9372 -17.9368 -17.9368 -17.5781 -17.5781 -17.5777 -17.5777 -17.5412 -17.5412 -17.5408 -17.5408 -11.0876 -11.0876 -11.0875 -11.0875 -10.8421 -10.8421 -10.8421 -10.8421 -0.4721 -0.4721 -0.4721 -0.4721 0.4754 0.4754 0.4754 0.4754 0.5315 0.5315 0.5317 0.5317 0.8556 0.8556 0.8556 0.8556 1.0082 1.0082 1.0084 1.0084 1.4867 1.4867 1.4867 1.4867 7.5544 7.5544 7.5546 7.5546 8.2595 8.2595 8.2598 8.2598 8.5105 8.5107 k = 0.0000 0.3365 0.1568 ( 5984 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9373 -17.9373 -17.9369 -17.9369 -17.5783 -17.5783 -17.5780 -17.5780 -17.5409 -17.5409 -17.5405 -17.5405 -11.0882 -11.0882 -11.0881 -11.0881 -10.8416 -10.8416 -10.8415 -10.8415 -0.4779 -0.4779 -0.4779 -0.4779 0.4762 0.4762 0.4762 0.4762 0.5334 0.5334 0.5335 0.5335 0.8779 0.8779 0.8779 0.8779 1.0070 1.0070 1.0072 1.0072 1.4677 1.4677 1.4678 1.4678 7.5451 7.5451 7.5452 7.5452 8.2458 8.2458 8.2461 8.2461 8.5212 8.5214 k = 0.0000 0.3365 0.1698 ( 5988 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9374 -17.9374 -17.9370 -17.9370 -17.5786 -17.5786 -17.5783 -17.5783 -17.5405 -17.5405 -17.5401 -17.5401 -11.0887 -11.0887 -11.0886 -11.0886 -10.8410 -10.8410 -10.8409 -10.8409 -0.4838 -0.4838 -0.4838 -0.4838 0.4779 0.4779 0.4779 0.4779 0.5353 0.5353 0.5355 0.5355 0.8994 0.8994 0.8995 0.8995 1.0064 1.0064 1.0066 1.0066 1.4479 1.4479 1.4479 1.4479 7.5350 7.5350 7.5352 7.5352 8.2325 8.2325 8.2327 8.2327 8.5316 8.5317 k = 0.0000 0.3365 0.1829 ( 5986 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9375 -17.9375 -17.9370 -17.9370 -17.5789 -17.5789 -17.5785 -17.5785 -17.5401 -17.5401 -17.5398 -17.5398 -11.0892 -11.0892 -11.0891 -11.0891 -10.8404 -10.8404 -10.8403 -10.8403 -0.4896 -0.4896 -0.4896 -0.4896 0.4805 0.4805 0.4805 0.4805 0.5373 0.5373 0.5375 0.5375 0.9196 0.9196 0.9197 0.9197 1.0071 1.0071 1.0072 1.0072 1.4273 1.4273 1.4274 1.4274 7.5245 7.5245 7.5247 7.5247 8.2196 8.2196 8.2199 8.2199 8.5411 8.5414 k = 0.0000 0.3365 0.1960 ( 5978 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9375 -17.9375 -17.9371 -17.9371 -17.5791 -17.5791 -17.5788 -17.5788 -17.5398 -17.5398 -17.5394 -17.5394 -11.0897 -11.0897 -11.0896 -11.0896 -10.8398 -10.8398 -10.8398 -10.8398 -0.4952 -0.4952 -0.4952 -0.4952 0.4838 0.4838 0.4838 0.4838 0.5392 0.5392 0.5394 0.5394 0.9375 0.9375 0.9376 0.9376 1.0099 1.0099 1.0100 1.0100 1.4062 1.4062 1.4062 1.4062 7.5138 7.5138 7.5139 7.5139 8.2075 8.2075 8.2078 8.2078 8.5491 8.5493 k = 0.0000 0.3365 0.2090 ( 5970 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9376 -17.9376 -17.9372 -17.9372 -17.5793 -17.5793 -17.5790 -17.5790 -17.5395 -17.5395 -17.5391 -17.5391 -11.0902 -11.0902 -11.0901 -11.0901 -10.8393 -10.8393 -10.8392 -10.8392 -0.5006 -0.5006 -0.5006 -0.5006 0.4877 0.4877 0.4877 0.4877 0.5411 0.5411 0.5412 0.5412 0.9515 0.9515 0.9516 0.9516 1.0163 1.0163 1.0164 1.0164 1.3846 1.3846 1.3846 1.3846 7.5030 7.5030 7.5032 7.5032 8.1962 8.1962 8.1965 8.1965 8.5549 8.5550 k = 0.0000 0.3365 0.2221 ( 5966 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9377 -17.9377 -17.9372 -17.9372 -17.5796 -17.5796 -17.5792 -17.5792 -17.5392 -17.5392 -17.5388 -17.5388 -11.0907 -11.0907 -11.0906 -11.0906 -10.8388 -10.8388 -10.8387 -10.8387 -0.5057 -0.5057 -0.5057 -0.5057 0.4920 0.4920 0.4920 0.4920 0.5428 0.5428 0.5430 0.5430 0.9607 0.9607 0.9608 0.9608 1.0273 1.0273 1.0274 1.0274 1.3628 1.3628 1.3628 1.3628 7.4925 7.4925 7.4926 7.4926 8.1859 8.1859 8.1861 8.1861 8.5579 8.5581 k = 0.0000 0.3365 0.2351 ( 5982 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9378 -17.9378 -17.9373 -17.9373 -17.5798 -17.5798 -17.5795 -17.5795 -17.5389 -17.5389 -17.5385 -17.5385 -11.0911 -11.0911 -11.0910 -11.0910 -10.8383 -10.8383 -10.8383 -10.8383 -0.5104 -0.5104 -0.5104 -0.5104 0.4965 0.4965 0.4965 0.4965 0.5444 0.5444 0.5445 0.5445 0.9655 0.9655 0.9657 0.9657 1.0425 1.0425 1.0425 1.0425 1.3408 1.3408 1.3408 1.3408 7.4825 7.4825 7.4826 7.4826 8.1765 8.1765 8.1767 8.1767 8.5582 8.5583 k = 0.0000 0.3365 0.2482 ( 5988 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9378 -17.9378 -17.9374 -17.9374 -17.5800 -17.5800 -17.5796 -17.5796 -17.5387 -17.5387 -17.5383 -17.5383 -11.0915 -11.0915 -11.0914 -11.0914 -10.8379 -10.8379 -10.8378 -10.8378 -0.5146 -0.5146 -0.5146 -0.5146 0.5009 0.5009 0.5010 0.5010 0.5457 0.5457 0.5459 0.5459 0.9677 0.9677 0.9679 0.9679 1.0601 1.0601 1.0601 1.0601 1.3188 1.3188 1.3188 1.3188 7.4732 7.4732 7.4734 7.4734 8.1682 8.1682 8.1685 8.1685 8.5565 8.5567 k = 0.0000 0.3365 0.2613 ( 5998 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9379 -17.9379 -17.9374 -17.9374 -17.5801 -17.5801 -17.5798 -17.5798 -17.5385 -17.5385 -17.5381 -17.5381 -11.0918 -11.0918 -11.0917 -11.0917 -10.8376 -10.8376 -10.8375 -10.8375 -0.5183 -0.5183 -0.5183 -0.5183 0.5052 0.5052 0.5052 0.5052 0.5469 0.5469 0.5471 0.5471 0.9685 0.9685 0.9686 0.9686 1.0789 1.0789 1.0789 1.0789 1.2970 1.2970 1.2970 1.2970 7.4649 7.4649 7.4651 7.4651 8.1611 8.1612 8.1614 8.1614 8.5535 8.5536 k = 0.0000 0.3365 0.2743 ( 6002 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9379 -17.9379 -17.9375 -17.9375 -17.5803 -17.5803 -17.5800 -17.5800 -17.5383 -17.5383 -17.5379 -17.5379 -11.0921 -11.0921 -11.0920 -11.0920 -10.8373 -10.8373 -10.8372 -10.8372 -0.5214 -0.5214 -0.5214 -0.5214 0.5090 0.5090 0.5090 0.5090 0.5478 0.5478 0.5480 0.5480 0.9686 0.9686 0.9688 0.9688 1.0982 1.0982 1.0982 1.0982 1.2755 1.2755 1.2756 1.2756 7.4579 7.4579 7.4580 7.4580 8.1553 8.1553 8.1555 8.1555 8.5500 8.5501 k = 0.0000 0.3365 0.2874 ( 5990 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9380 -17.9380 -17.9375 -17.9375 -17.5804 -17.5804 -17.5801 -17.5801 -17.5381 -17.5381 -17.5378 -17.5378 -11.0923 -11.0923 -11.0922 -11.0922 -10.8370 -10.8370 -10.8369 -10.8369 -0.5239 -0.5239 -0.5239 -0.5239 0.5122 0.5122 0.5122 0.5122 0.5485 0.5485 0.5487 0.5487 0.9684 0.9684 0.9686 0.9686 1.1174 1.1174 1.1174 1.1174 1.2547 1.2547 1.2547 1.2547 7.4522 7.4522 7.4524 7.4524 8.1507 8.1507 8.1509 8.1509 8.5468 8.5469 k = 0.0000 0.3365 0.3005 ( 5998 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9380 -17.9380 -17.9376 -17.9376 -17.5805 -17.5805 -17.5801 -17.5801 -17.5380 -17.5380 -17.5377 -17.5377 -11.0924 -11.0924 -11.0923 -11.0923 -10.8369 -10.8369 -10.8368 -10.8368 -0.5256 -0.5256 -0.5256 -0.5256 0.5147 0.5147 0.5147 0.5147 0.5489 0.5489 0.5492 0.5492 0.9682 0.9682 0.9684 0.9684 1.1358 1.1358 1.1358 1.1358 1.2351 1.2351 1.2352 1.2352 7.4481 7.4481 7.4482 7.4482 8.1474 8.1474 8.1476 8.1476 8.5441 8.5443 k = 0.0000 0.3365 0.3135 ( 5996 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9380 -17.9380 -17.9376 -17.9376 -17.5805 -17.5805 -17.5802 -17.5802 -17.5380 -17.5380 -17.5376 -17.5376 -11.0925 -11.0925 -11.0924 -11.0924 -10.8367 -10.8367 -10.8366 -10.8366 -0.5267 -0.5267 -0.5267 -0.5267 0.5162 0.5162 0.5162 0.5162 0.5492 0.5492 0.5494 0.5494 0.9680 0.9680 0.9682 0.9682 1.1517 1.1517 1.1517 1.1517 1.2185 1.2185 1.2186 1.2186 7.4455 7.4455 7.4457 7.4457 8.1453 8.1453 8.1456 8.1456 8.5423 8.5424 k = 0.0000 0.3365 0.3266 ( 5992 PWs) bands (ev): -36.6572 -36.6572 -36.6568 -36.6568 -17.9380 -17.9380 -17.9376 -17.9376 -17.5805 -17.5805 -17.5802 -17.5802 -17.5380 -17.5380 -17.5376 -17.5376 -11.0926 -11.0926 -11.0925 -11.0925 -10.8367 -10.8367 -10.8366 -10.8366 -0.5271 -0.5271 -0.5271 -0.5271 0.5167 0.5167 0.5168 0.5168 0.5493 0.5493 0.5495 0.5495 0.9680 0.9680 0.9682 0.9682 1.1592 1.1592 1.1592 1.1592 1.2109 1.2109 1.2109 1.2109 7.4447 7.4447 7.4448 7.4448 8.1447 8.1447 8.1449 8.1449 8.5419 8.5420 k = 0.5000-0.0000 0.3266 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9624 -17.9624 -17.9450 -17.9450 -17.6094 -17.6094 -17.5878 -17.5878 -17.5543 -17.5543 -17.5525 -17.5525 -10.9421 -10.9421 -10.9420 -10.9420 -10.8708 -10.8708 -10.8655 -10.8655 -0.4086 -0.4086 -0.3984 -0.3984 0.0479 0.0479 0.0760 0.0760 0.4822 0.4822 0.4835 0.4835 0.5266 0.5266 0.5511 0.5511 1.2145 1.2145 1.2467 1.2467 1.2680 1.2680 1.3051 1.3051 7.3770 7.3770 7.3792 7.3792 8.4115 8.4115 8.4229 8.4229 8.8400 8.8400 k = 0.5000-0.0000 0.3135 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9624 -17.9624 -17.9450 -17.9450 -17.6093 -17.6093 -17.5878 -17.5878 -17.5543 -17.5543 -17.5525 -17.5525 -10.9421 -10.9421 -10.9420 -10.9420 -10.8708 -10.8708 -10.8654 -10.8654 -0.4077 -0.4077 -0.3976 -0.3976 0.0474 0.0474 0.0753 0.0753 0.4738 0.4738 0.4928 0.4928 0.5241 0.5241 0.5542 0.5542 1.2133 1.2133 1.2454 1.2454 1.2678 1.2678 1.3049 1.3049 7.3790 7.3790 7.3812 7.3812 8.4114 8.4114 8.4228 8.4228 8.8390 8.8427 k = 0.5000-0.0000 0.3005 ( 5984 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9623 -17.9623 -17.9450 -17.9450 -17.6092 -17.6092 -17.5878 -17.5878 -17.5543 -17.5543 -17.5525 -17.5525 -10.9422 -10.9422 -10.9421 -10.9421 -10.8707 -10.8707 -10.8654 -10.8654 -0.4052 -0.4052 -0.3950 -0.3950 0.0459 0.0459 0.0732 0.0732 0.4655 0.4655 0.5034 0.5034 0.5186 0.5186 0.5614 0.5614 1.2096 1.2096 1.2417 1.2417 1.2673 1.2673 1.3041 1.3041 7.3850 7.3850 7.3872 7.3872 8.4112 8.4112 8.4226 8.4226 8.8355 8.8369 k = 0.5000-0.0000 0.2874 ( 5976 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9622 -17.9622 -17.9451 -17.9451 -17.6091 -17.6091 -17.5877 -17.5877 -17.5544 -17.5544 -17.5526 -17.5526 -10.9423 -10.9423 -10.9422 -10.9422 -10.8706 -10.8706 -10.8653 -10.8653 -0.4011 -0.4011 -0.3907 -0.3907 0.0435 0.0435 0.0699 0.0699 0.4581 0.4581 0.5123 0.5123 0.5146 0.5146 0.5702 0.5702 1.2035 1.2035 1.2356 1.2356 1.2663 1.2663 1.3029 1.3029 7.3949 7.3949 7.3973 7.3973 8.4108 8.4108 8.4222 8.4222 8.8299 8.8307 k = 0.5000-0.0000 0.2743 ( 5972 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9620 -17.9620 -17.9451 -17.9451 -17.6088 -17.6088 -17.5878 -17.5878 -17.5546 -17.5546 -17.5527 -17.5527 -10.9425 -10.9425 -10.9424 -10.9424 -10.8704 -10.8704 -10.8652 -10.8652 -0.3953 -0.3953 -0.3847 -0.3847 0.0402 0.0402 0.0653 0.0653 0.4514 0.4514 0.5061 0.5061 0.5264 0.5264 0.5799 0.5799 1.1951 1.1951 1.2271 1.2271 1.2651 1.2651 1.3012 1.3012 7.4087 7.4087 7.4112 7.4112 8.4101 8.4101 8.4216 8.4216 8.8216 8.8247 k = 0.5000-0.0000 0.2613 ( 5972 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9618 -17.9618 -17.9453 -17.9453 -17.6086 -17.6086 -17.5878 -17.5878 -17.5547 -17.5547 -17.5528 -17.5528 -10.9427 -10.9427 -10.9426 -10.9426 -10.8701 -10.8701 -10.8651 -10.8651 -0.3879 -0.3879 -0.3771 -0.3771 0.0362 0.0362 0.0598 0.0598 0.4455 0.4455 0.5002 0.5002 0.5386 0.5386 0.5900 0.5900 1.1847 1.1847 1.2165 1.2165 1.2634 1.2634 1.2990 1.2990 7.4262 7.4262 7.4288 7.4288 8.4092 8.4092 8.4207 8.4207 8.8114 8.8135 k = 0.5000-0.0000 0.2482 ( 5972 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9616 -17.9616 -17.9454 -17.9454 -17.6082 -17.6082 -17.5878 -17.5878 -17.5549 -17.5549 -17.5530 -17.5530 -10.9429 -10.9429 -10.9428 -10.9428 -10.8698 -10.8698 -10.8649 -10.8649 -0.3790 -0.3790 -0.3679 -0.3679 0.0315 0.0315 0.0533 0.0533 0.4403 0.4403 0.4946 0.4946 0.5510 0.5510 0.6004 0.6004 1.1723 1.1723 1.2039 1.2039 1.2614 1.2614 1.2964 1.2964 7.4473 7.4473 7.4500 7.4500 8.4081 8.4081 8.4196 8.4196 8.7991 8.7996 k = 0.5000-0.0000 0.2351 ( 5980 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9614 -17.9614 -17.9456 -17.9456 -17.6078 -17.6078 -17.5879 -17.5879 -17.5552 -17.5552 -17.5532 -17.5532 -10.9432 -10.9432 -10.9431 -10.9431 -10.8695 -10.8695 -10.8647 -10.8647 -0.3686 -0.3686 -0.3572 -0.3572 0.0263 0.0263 0.0461 0.0461 0.4355 0.4355 0.4893 0.4893 0.5636 0.5636 0.6108 0.6108 1.1582 1.1582 1.1895 1.1895 1.2591 1.2591 1.2934 1.2934 7.4717 7.4717 7.4745 7.4745 8.4066 8.4066 8.4182 8.4182 8.7838 8.7848 k = 0.5000-0.0000 0.2221 ( 5980 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9611 -17.9611 -17.9458 -17.9458 -17.6074 -17.6074 -17.5879 -17.5879 -17.5555 -17.5555 -17.5534 -17.5534 -10.9435 -10.9435 -10.9434 -10.9434 -10.8692 -10.8692 -10.8645 -10.8645 -0.3568 -0.3568 -0.3450 -0.3450 0.0207 0.0207 0.0384 0.0384 0.4311 0.4311 0.4841 0.4841 0.5762 0.5762 0.6211 0.6211 1.1427 1.1427 1.1736 1.1736 1.2566 1.2566 1.2900 1.2900 7.4992 7.4992 7.5022 7.5022 8.4048 8.4048 8.4165 8.4165 8.7668 8.7676 k = 0.5000-0.0000 0.2090 ( 5984 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9608 -17.9608 -17.9460 -17.9460 -17.6069 -17.6069 -17.5880 -17.5880 -17.5558 -17.5558 -17.5536 -17.5536 -10.9439 -10.9439 -10.9438 -10.9438 -10.8688 -10.8688 -10.8643 -10.8643 -0.3438 -0.3438 -0.3315 -0.3315 0.0150 0.0150 0.0304 0.0304 0.4269 0.4269 0.4789 0.4789 0.5886 0.5886 0.6312 0.6312 1.1259 1.1259 1.1563 1.1563 1.2539 1.2539 1.2863 1.2863 7.5296 7.5296 7.5329 7.5329 8.4026 8.4026 8.4143 8.4143 8.7479 8.7486 k = 0.5000-0.0000 0.1960 ( 5980 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9604 -17.9604 -17.9463 -17.9463 -17.6063 -17.6063 -17.5881 -17.5881 -17.5561 -17.5561 -17.5539 -17.5539 -10.9442 -10.9442 -10.9441 -10.9441 -10.8684 -10.8684 -10.8641 -10.8641 -0.3296 -0.3296 -0.3168 -0.3168 0.0092 0.0092 0.0223 0.0223 0.4228 0.4228 0.4736 0.4736 0.6008 0.6008 0.6410 0.6410 1.1082 1.1082 1.1380 1.1380 1.2511 1.2511 1.2824 1.2824 7.5627 7.5627 7.5662 7.5662 8.3999 8.3999 8.4117 8.4117 8.7274 8.7281 k = 0.5000-0.0000 0.1829 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9600 -17.9600 -17.9466 -17.9466 -17.6057 -17.6057 -17.5882 -17.5882 -17.5564 -17.5564 -17.5542 -17.5542 -10.9446 -10.9446 -10.9445 -10.9445 -10.8679 -10.8679 -10.8639 -10.8639 -0.3144 -0.3144 -0.3010 -0.3010 0.0035 0.0035 0.0143 0.0143 0.4186 0.4186 0.4680 0.4680 0.6126 0.6126 0.6504 0.6504 1.0899 1.0899 1.1189 1.1189 1.2482 1.2482 1.2783 1.2783 7.5981 7.5981 7.6018 7.6018 8.3967 8.3967 8.4085 8.4085 8.7055 8.7066 k = 0.5000-0.0000 0.1698 ( 5984 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9596 -17.9596 -17.9469 -17.9469 -17.6051 -17.6051 -17.5884 -17.5884 -17.5567 -17.5567 -17.5545 -17.5545 -10.9450 -10.9450 -10.9449 -10.9449 -10.8675 -10.8675 -10.8637 -10.8637 -0.2984 -0.2984 -0.2843 -0.2843 -0.0019 -0.0019 0.0066 0.0066 0.4141 0.4141 0.4618 0.4618 0.6240 0.6240 0.6592 0.6592 1.0712 1.0712 1.0993 1.0993 1.2454 1.2454 1.2741 1.2741 7.6356 7.6356 7.6395 7.6395 8.3928 8.3928 8.4047 8.4047 8.6822 8.6829 k = 0.5000-0.0000 0.1568 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9592 -17.9592 -17.9472 -17.9472 -17.6044 -17.6044 -17.5886 -17.5886 -17.5570 -17.5570 -17.5548 -17.5548 -10.9454 -10.9454 -10.9452 -10.9452 -10.8670 -10.8670 -10.8634 -10.8634 -0.2818 -0.2818 -0.2670 -0.2670 -0.0067 -0.0067 -0.0006 -0.0006 0.4092 0.4092 0.4550 0.4550 0.6349 0.6349 0.6675 0.6675 1.0526 1.0526 1.0796 1.0796 1.2427 1.2427 1.2699 1.2699 7.6748 7.6748 7.6789 7.6789 8.3881 8.3881 8.4000 8.4000 8.6580 8.6582 k = 0.5000-0.0000 0.1437 ( 6000 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9587 -17.9587 -17.9476 -17.9476 -17.6037 -17.6037 -17.5889 -17.5889 -17.5573 -17.5573 -17.5551 -17.5551 -10.9457 -10.9457 -10.9456 -10.9456 -10.8666 -10.8666 -10.8633 -10.8633 -0.2649 -0.2649 -0.2493 -0.2493 -0.0109 -0.0109 -0.0071 -0.0071 0.4038 0.4038 0.4474 0.4474 0.6452 0.6452 0.6751 0.6751 1.0343 1.0343 1.0600 1.0600 1.2402 1.2402 1.2657 1.2657 7.7154 7.7154 7.7198 7.7198 8.3824 8.3824 8.3945 8.3945 8.6335 8.6338 k = 0.5000-0.0000 0.1306 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9582 -17.9582 -17.9479 -17.9479 -17.6029 -17.6029 -17.5891 -17.5891 -17.5576 -17.5576 -17.5554 -17.5554 -10.9461 -10.9461 -10.9460 -10.9460 -10.8661 -10.8661 -10.8631 -10.8631 -0.2479 -0.2479 -0.2317 -0.2317 -0.0141 -0.0141 -0.0126 -0.0126 0.3976 0.3976 0.4389 0.4389 0.6548 0.6548 0.6821 0.6821 1.0167 1.0167 1.0409 1.0409 1.2379 1.2379 1.2615 1.2615 7.7570 7.7570 7.7617 7.7617 8.3756 8.3756 8.3878 8.3878 8.6092 8.6099 k = 0.5000-0.0000 0.1176 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9577 -17.9577 -17.9483 -17.9483 -17.6021 -17.6021 -17.5894 -17.5894 -17.5578 -17.5578 -17.5557 -17.5557 -10.9464 -10.9464 -10.9463 -10.9463 -10.8657 -10.8657 -10.8629 -10.8629 -0.2313 -0.2313 -0.2145 -0.2145 -0.0168 -0.0168 -0.0162 -0.0162 0.3908 0.3908 0.4293 0.4293 0.6639 0.6639 0.6885 0.6885 1.0000 1.0000 1.0225 1.0225 1.2359 1.2359 1.2576 1.2576 7.7995 7.7995 7.8045 7.8045 8.3673 8.3673 8.3795 8.3795 8.5852 8.5887 k = 0.5000-0.0000 0.1045 ( 5998 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9572 -17.9572 -17.9488 -17.9488 -17.6013 -17.6013 -17.5898 -17.5898 -17.5580 -17.5580 -17.5561 -17.5561 -10.9467 -10.9467 -10.9466 -10.9466 -10.8653 -10.8653 -10.8628 -10.8628 -0.2154 -0.2154 -0.1983 -0.1983 -0.0194 -0.0194 -0.0170 -0.0170 0.3833 0.3833 0.4188 0.4188 0.6722 0.6722 0.6942 0.6942 0.9845 0.9845 1.0052 1.0052 1.2342 1.2342 1.2538 1.2538 7.8424 7.8424 7.8477 7.8477 8.3571 8.3571 8.3693 8.3693 8.5624 8.5628 k = 0.5000-0.0000 0.0914 ( 5990 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9566 -17.9566 -17.9492 -17.9492 -17.6005 -17.6005 -17.5902 -17.5902 -17.5582 -17.5582 -17.5564 -17.5564 -10.9470 -10.9470 -10.9469 -10.9469 -10.8649 -10.8649 -10.8626 -10.8626 -0.2007 -0.2007 -0.1837 -0.1837 -0.0202 -0.0202 -0.0164 -0.0164 0.3753 0.3753 0.4074 0.4074 0.6799 0.6799 0.6992 0.6992 0.9705 0.9705 0.9892 0.9892 1.2328 1.2328 1.2502 1.2502 7.8855 7.8855 7.8910 7.8910 8.3446 8.3446 8.3567 8.3567 8.5407 8.5409 k = 0.5000-0.0000 0.0784 ( 5986 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9561 -17.9561 -17.9496 -17.9496 -17.5997 -17.5997 -17.5907 -17.5907 -17.5583 -17.5583 -17.5567 -17.5567 -10.9473 -10.9473 -10.9472 -10.9472 -10.8645 -10.8645 -10.8626 -10.8626 -0.1876 -0.1876 -0.1712 -0.1712 -0.0189 -0.0189 -0.0142 -0.0142 0.3670 0.3670 0.3954 0.3954 0.6869 0.6869 0.7036 0.7036 0.9582 0.9582 0.9746 0.9746 1.2318 1.2318 1.2469 1.2469 7.9284 7.9284 7.9342 7.9342 8.3293 8.3293 8.3410 8.3410 8.5220 8.5239 k = 0.5000-0.0000 0.0653 ( 5986 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9555 -17.9555 -17.9501 -17.9501 -17.5988 -17.5988 -17.5913 -17.5913 -17.5584 -17.5584 -17.5570 -17.5570 -10.9475 -10.9475 -10.9474 -10.9474 -10.8641 -10.8641 -10.8625 -10.8625 -0.1764 -0.1764 -0.1614 -0.1614 -0.0155 -0.0155 -0.0107 -0.0107 0.3588 0.3588 0.3831 0.3831 0.6931 0.6931 0.7072 0.7072 0.9477 0.9477 0.9617 0.9617 1.2312 1.2312 1.2439 1.2439 7.9709 7.9709 7.9769 7.9769 8.3107 8.3107 8.3219 8.3219 8.5059 8.5060 k = 0.5000-0.0000 0.0523 ( 5982 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9550 -17.9550 -17.9506 -17.9506 -17.5980 -17.5980 -17.5918 -17.5918 -17.5585 -17.5585 -17.5573 -17.5573 -10.9477 -10.9477 -10.9476 -10.9476 -10.8638 -10.8638 -10.8625 -10.8625 -0.1672 -0.1672 -0.1544 -0.1544 -0.0106 -0.0106 -0.0063 -0.0063 0.3512 0.3512 0.3712 0.3712 0.6987 0.6987 0.7100 0.7100 0.9392 0.9392 0.9506 0.9506 1.2309 1.2309 1.2412 1.2412 8.0126 8.0126 8.0189 8.0189 8.2886 8.2886 8.2992 8.2992 8.4932 8.4938 k = 0.5000-0.0000 0.0392 ( 5970 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9544 -17.9544 -17.9511 -17.9511 -17.5971 -17.5971 -17.5924 -17.5924 -17.5585 -17.5585 -17.5575 -17.5575 -10.9478 -10.9478 -10.9477 -10.9477 -10.8635 -10.8635 -10.8625 -10.8625 -0.1599 -0.1599 -0.1498 -0.1498 -0.0050 -0.0050 -0.0016 -0.0016 0.3449 0.3449 0.3602 0.3602 0.7034 0.7034 0.7119 0.7119 0.9328 0.9328 0.9415 0.9415 1.2310 1.2310 1.2387 1.2387 8.0533 8.0533 8.0599 8.0599 8.2633 8.2633 8.2731 8.2731 8.4838 8.4841 k = 0.5000-0.0000 0.0261 ( 5972 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9538 -17.9538 -17.9516 -17.9516 -17.5963 -17.5963 -17.5931 -17.5931 -17.5584 -17.5584 -17.5577 -17.5577 -10.9480 -10.9480 -10.9478 -10.9478 -10.8632 -10.8632 -10.8626 -10.8626 -0.1544 -0.1544 -0.1475 -0.1475 0.0002 0.0002 0.0025 0.0025 0.3404 0.3404 0.3508 0.3508 0.7072 0.7072 0.7130 0.7130 0.9286 0.9286 0.9345 0.9345 1.2315 1.2315 1.2366 1.2366 8.0925 8.0925 8.0994 8.0994 8.2348 8.2348 8.2439 8.2439 8.4774 8.4779 k = 0.5000-0.0000 0.0131 ( 5966 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9533 -17.9533 -17.9521 -17.9521 -17.5954 -17.5954 -17.5938 -17.5938 -17.5584 -17.5584 -17.5579 -17.5579 -10.9480 -10.9480 -10.9479 -10.9479 -10.8630 -10.8630 -10.8627 -10.8627 -0.1505 -0.1505 -0.1470 -0.1470 0.0040 0.0040 0.0052 0.0052 0.3385 0.3385 0.3438 0.3438 0.7102 0.7102 0.7131 0.7131 0.9267 0.9267 0.9296 0.9296 1.2323 1.2323 1.2348 1.2348 8.1297 8.1297 8.1367 8.1367 8.2045 8.2045 8.2125 8.2125 8.4740 8.4746 k = 0.5000-0.0000-0.0000 ( 5966 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9529 -17.9529 -17.9525 -17.9525 -17.5949 -17.5949 -17.5944 -17.5944 -17.5584 -17.5584 -17.5579 -17.5579 -10.9480 -10.9480 -10.9479 -10.9479 -10.8629 -10.8629 -10.8628 -10.8628 -0.1481 -0.1481 -0.1481 -0.1481 0.0057 0.0057 0.0059 0.0059 0.3396 0.3396 0.3397 0.3397 0.7121 0.7121 0.7121 0.7121 0.9270 0.9270 0.9270 0.9270 1.2334 1.2334 1.2334 1.2334 8.1585 8.1585 8.1588 8.1588 8.1849 8.1849 8.1852 8.1852 8.4730 8.4732 k = 0.5000 0.3365-0.0000 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9641 -17.9641 -17.9428 -17.9428 -17.6120 -17.6120 -17.5843 -17.5843 -17.5555 -17.5555 -17.5520 -17.5520 -10.9669 -10.9669 -10.9668 -10.9668 -10.8476 -10.8476 -10.8411 -10.8411 -0.2530 -0.2530 -0.2510 -0.2510 -0.0259 -0.0259 -0.0007 -0.0007 0.3835 0.3835 0.4112 0.4112 0.5167 0.5167 0.5850 0.5850 1.0254 1.0254 1.0549 1.0549 1.4158 1.4158 1.4490 1.4490 7.6250 7.6250 7.6264 7.6264 8.4047 8.4047 8.4107 8.4107 8.8236 8.8250 k = 0.5000 0.3365 0.0131 ( 5992 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9640 -17.9640 -17.9428 -17.9428 -17.6120 -17.6120 -17.5843 -17.5843 -17.5556 -17.5556 -17.5520 -17.5520 -10.9667 -10.9667 -10.9666 -10.9666 -10.8477 -10.8477 -10.8412 -10.8412 -0.2552 -0.2552 -0.2530 -0.2530 -0.0265 -0.0265 -0.0009 -0.0009 0.3856 0.3856 0.4124 0.4124 0.5174 0.5174 0.5849 0.5849 1.0265 1.0265 1.0561 1.0561 1.4160 1.4160 1.4492 1.4492 7.6258 7.6258 7.6272 7.6272 8.4037 8.4037 8.4097 8.4097 8.8235 8.8247 k = 0.5000 0.3365 0.0261 ( 5992 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9640 -17.9640 -17.9429 -17.9429 -17.6118 -17.6118 -17.5844 -17.5844 -17.5556 -17.5556 -17.5521 -17.5521 -10.9664 -10.9664 -10.9663 -10.9663 -10.8480 -10.8480 -10.8416 -10.8416 -0.2616 -0.2616 -0.2590 -0.2590 -0.0282 -0.0282 -0.0017 -0.0017 0.3918 0.3918 0.4160 0.4160 0.5195 0.5195 0.5846 0.5846 1.0298 1.0298 1.0597 1.0597 1.4166 1.4166 1.4499 1.4499 7.6283 7.6283 7.6296 7.6296 8.4007 8.4007 8.4067 8.4067 8.8223 8.8232 k = 0.5000 0.3365 0.0392 ( 5972 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9638 -17.9638 -17.9429 -17.9429 -17.6116 -17.6116 -17.5844 -17.5844 -17.5557 -17.5557 -17.5521 -17.5521 -10.9658 -10.9658 -10.9656 -10.9656 -10.8486 -10.8486 -10.8421 -10.8421 -0.2719 -0.2719 -0.2686 -0.2686 -0.0311 -0.0311 -0.0031 -0.0031 0.4017 0.4017 0.4219 0.4219 0.5228 0.5228 0.5841 0.5841 1.0352 1.0352 1.0656 1.0656 1.4176 1.4176 1.4510 1.4510 7.6323 7.6323 7.6336 7.6336 8.3957 8.3957 8.4018 8.4018 8.8207 8.8223 k = 0.5000 0.3365 0.0523 ( 5992 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9637 -17.9637 -17.9431 -17.9431 -17.6114 -17.6114 -17.5845 -17.5845 -17.5559 -17.5559 -17.5523 -17.5523 -10.9649 -10.9649 -10.9648 -10.9648 -10.8493 -10.8493 -10.8429 -10.8429 -0.2854 -0.2854 -0.2814 -0.2814 -0.0350 -0.0350 -0.0056 -0.0056 0.4149 0.4149 0.4299 0.4299 0.5274 0.5274 0.5834 0.5834 1.0426 1.0426 1.0738 1.0738 1.4191 1.4191 1.4524 1.4524 7.6379 7.6379 7.6391 7.6391 8.3888 8.3888 8.3950 8.3950 8.8183 8.8197 k = 0.5000 0.3365 0.0653 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9635 -17.9635 -17.9433 -17.9433 -17.6111 -17.6111 -17.5845 -17.5845 -17.5560 -17.5560 -17.5524 -17.5524 -10.9639 -10.9639 -10.9637 -10.9637 -10.8503 -10.8503 -10.8439 -10.8439 -0.3015 -0.3015 -0.2969 -0.2969 -0.0398 -0.0398 -0.0092 -0.0092 0.4308 0.4308 0.4394 0.4394 0.5332 0.5332 0.5825 0.5825 1.0520 1.0520 1.0840 1.0840 1.4208 1.4208 1.4543 1.4543 7.6450 7.6450 7.6461 7.6461 8.3800 8.3800 8.3863 8.3863 8.8154 8.8167 k = 0.5000 0.3365 0.0784 ( 6000 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9632 -17.9632 -17.9435 -17.9435 -17.6107 -17.6107 -17.5846 -17.5846 -17.5563 -17.5563 -17.5526 -17.5526 -10.9626 -10.9626 -10.9623 -10.9623 -10.8515 -10.8515 -10.8452 -10.8452 -0.3195 -0.3195 -0.3143 -0.3143 -0.0456 -0.0456 -0.0141 -0.0141 0.4488 0.4488 0.4502 0.4502 0.5401 0.5401 0.5814 0.5814 1.0633 1.0633 1.0961 1.0961 1.4229 1.4229 1.4564 1.4564 7.6537 7.6537 7.6547 7.6547 8.3694 8.3694 8.3759 8.3759 8.8119 8.8135 k = 0.5000 0.3365 0.0914 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9630 -17.9630 -17.9437 -17.9437 -17.6103 -17.6103 -17.5847 -17.5847 -17.5565 -17.5565 -17.5528 -17.5528 -10.9611 -10.9611 -10.9607 -10.9607 -10.8528 -10.8528 -10.8466 -10.8466 -0.3388 -0.3388 -0.3333 -0.3333 -0.0520 -0.0520 -0.0201 -0.0201 0.4615 0.4615 0.4684 0.4684 0.5483 0.5483 0.5802 0.5802 1.0764 1.0764 1.1099 1.1099 1.4253 1.4253 1.4588 1.4588 7.6638 7.6638 7.6647 7.6647 8.3572 8.3572 8.3638 8.3638 8.8075 8.8093 k = 0.5000 0.3365 0.1045 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9626 -17.9626 -17.9440 -17.9440 -17.6098 -17.6098 -17.5849 -17.5849 -17.5568 -17.5568 -17.5530 -17.5530 -10.9594 -10.9594 -10.9589 -10.9589 -10.8544 -10.8544 -10.8483 -10.8483 -0.3591 -0.3591 -0.3532 -0.3532 -0.0590 -0.0590 -0.0273 -0.0273 0.4728 0.4728 0.4889 0.4889 0.5578 0.5578 0.5790 0.5790 1.0909 1.0909 1.1253 1.1253 1.4279 1.4279 1.4614 1.4614 7.6754 7.6754 7.6761 7.6761 8.3435 8.3435 8.3502 8.3502 8.8028 8.8043 k = 0.5000 0.3365 0.1176 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9622 -17.9622 -17.9443 -17.9443 -17.6092 -17.6092 -17.5850 -17.5850 -17.5571 -17.5571 -17.5533 -17.5533 -10.9574 -10.9574 -10.9569 -10.9569 -10.8561 -10.8561 -10.8501 -10.8501 -0.3797 -0.3797 -0.3737 -0.3737 -0.0665 -0.0665 -0.0353 -0.0353 0.4834 0.4834 0.5097 0.5097 0.5687 0.5687 0.5779 0.5779 1.1069 1.1069 1.1418 1.1418 1.4306 1.4306 1.4642 1.4642 7.6884 7.6884 7.6888 7.6888 8.3282 8.3282 8.3351 8.3351 8.7971 8.7989 k = 0.5000 0.3365 0.1306 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9618 -17.9618 -17.9446 -17.9446 -17.6086 -17.6086 -17.5852 -17.5852 -17.5573 -17.5573 -17.5535 -17.5535 -10.9553 -10.9553 -10.9547 -10.9547 -10.8581 -10.8581 -10.8522 -10.8522 -0.4003 -0.4003 -0.3943 -0.3943 -0.0742 -0.0742 -0.0441 -0.0441 0.4929 0.4929 0.5302 0.5302 0.5771 0.5771 0.5809 0.5809 1.1239 1.1239 1.1594 1.1594 1.4334 1.4334 1.4670 1.4670 7.7026 7.7026 7.7028 7.7028 8.3118 8.3118 8.3188 8.3188 8.7913 8.7927 k = 0.5000 0.3365 0.1437 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9614 -17.9614 -17.9450 -17.9450 -17.6079 -17.6079 -17.5855 -17.5855 -17.5576 -17.5576 -17.5538 -17.5538 -10.9530 -10.9530 -10.9523 -10.9523 -10.8602 -10.8602 -10.8544 -10.8544 -0.4207 -0.4207 -0.4148 -0.4148 -0.0821 -0.0821 -0.0533 -0.0533 0.5011 0.5011 0.5487 0.5487 0.5781 0.5781 0.5944 0.5944 1.1418 1.1418 1.1777 1.1777 1.4363 1.4363 1.4699 1.4699 7.7180 7.7180 7.7181 7.7181 8.2943 8.2943 8.3014 8.3014 8.7844 8.7856 k = 0.5000 0.3365 0.1568 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9609 -17.9609 -17.9454 -17.9454 -17.6072 -17.6072 -17.5858 -17.5858 -17.5579 -17.5579 -17.5542 -17.5542 -10.9506 -10.9506 -10.9497 -10.9497 -10.8625 -10.8625 -10.8568 -10.8568 -0.4406 -0.4406 -0.4348 -0.4348 -0.0900 -0.0900 -0.0627 -0.0627 0.5081 0.5081 0.5605 0.5605 0.5853 0.5853 0.6086 0.6086 1.1604 1.1604 1.1965 1.1965 1.4391 1.4391 1.4726 1.4726 7.7343 7.7343 7.7346 7.7346 8.2758 8.2758 8.2830 8.2830 8.7775 8.7784 k = 0.5000 0.3365 0.1698 ( 5984 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9604 -17.9604 -17.9458 -17.9458 -17.6064 -17.6064 -17.5861 -17.5861 -17.5582 -17.5582 -17.5545 -17.5545 -10.9480 -10.9480 -10.9469 -10.9469 -10.8649 -10.8649 -10.8594 -10.8594 -0.4596 -0.4596 -0.4541 -0.4541 -0.0977 -0.0977 -0.0722 -0.0722 0.5138 0.5138 0.5633 0.5633 0.6005 0.6005 0.6233 0.6233 1.1794 1.1794 1.2154 1.2154 1.4418 1.4418 1.4751 1.4751 7.7516 7.7516 7.7523 7.7523 8.2565 8.2565 8.2638 8.2638 8.7699 8.7712 k = 0.5000 0.3365 0.1829 ( 5992 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9599 -17.9599 -17.9463 -17.9463 -17.6055 -17.6055 -17.5865 -17.5865 -17.5584 -17.5584 -17.5548 -17.5548 -10.9452 -10.9452 -10.9440 -10.9440 -10.8674 -10.8674 -10.8621 -10.8621 -0.4778 -0.4778 -0.4725 -0.4725 -0.1052 -0.1052 -0.0816 -0.0816 0.5186 0.5186 0.5629 0.5629 0.6182 0.6182 0.6380 0.6380 1.1985 1.1985 1.2343 1.2343 1.4444 1.4444 1.4774 1.4774 7.7698 7.7698 7.7708 7.7708 8.2366 8.2366 8.2440 8.2440 8.7621 8.7631 k = 0.5000 0.3365 0.1960 ( 5996 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9593 -17.9593 -17.9468 -17.9468 -17.6047 -17.6047 -17.5870 -17.5870 -17.5586 -17.5586 -17.5552 -17.5552 -10.9423 -10.9423 -10.9410 -10.9410 -10.8701 -10.8701 -10.8650 -10.8650 -0.4947 -0.4947 -0.4898 -0.4898 -0.1123 -0.1123 -0.0907 -0.0907 0.5225 0.5225 0.5614 0.5614 0.6355 0.6355 0.6523 0.6523 1.2175 1.2175 1.2528 1.2528 1.4467 1.4467 1.4792 1.4792 7.7889 7.7889 7.7902 7.7902 8.2162 8.2162 8.2236 8.2236 8.7543 8.7555 k = 0.5000 0.3365 0.2090 ( 5988 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9587 -17.9587 -17.9473 -17.9473 -17.6037 -17.6037 -17.5875 -17.5875 -17.5588 -17.5588 -17.5556 -17.5556 -10.9393 -10.9393 -10.9378 -10.9378 -10.8729 -10.8729 -10.8680 -10.8680 -0.5104 -0.5104 -0.5060 -0.5060 -0.1189 -0.1189 -0.0994 -0.0994 0.5259 0.5259 0.5597 0.5597 0.6520 0.6520 0.6660 0.6660 1.2361 1.2361 1.2706 1.2706 1.4488 1.4488 1.4807 1.4807 7.8086 7.8086 7.8104 7.8104 8.1954 8.1954 8.2028 8.2028 8.7461 8.7470 k = 0.5000 0.3365 0.2221 ( 5984 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9581 -17.9581 -17.9478 -17.9478 -17.6028 -17.6028 -17.5881 -17.5881 -17.5590 -17.5590 -17.5559 -17.5559 -10.9362 -10.9362 -10.9346 -10.9346 -10.8758 -10.8758 -10.8710 -10.8710 -0.5248 -0.5248 -0.5207 -0.5207 -0.1249 -0.1249 -0.1076 -0.1076 0.5287 0.5287 0.5578 0.5578 0.6671 0.6671 0.6787 0.6787 1.2541 1.2541 1.2875 1.2875 1.4507 1.4507 1.4816 1.4816 7.8290 7.8290 7.8311 7.8311 8.1743 8.1743 8.1817 8.1817 8.7380 8.7393 k = 0.5000 0.3365 0.2351 ( 5984 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9575 -17.9575 -17.9484 -17.9484 -17.6018 -17.6018 -17.5887 -17.5887 -17.5591 -17.5591 -17.5563 -17.5563 -10.9331 -10.9331 -10.9313 -10.9313 -10.8787 -10.8787 -10.8742 -10.8742 -0.5376 -0.5376 -0.5340 -0.5340 -0.1303 -0.1303 -0.1151 -0.1151 0.5311 0.5311 0.5559 0.5559 0.6808 0.6808 0.6903 0.6903 1.2713 1.2713 1.3031 1.3031 1.4524 1.4524 1.4820 1.4820 7.8498 7.8498 7.8523 7.8523 8.1531 8.1531 8.1604 8.1604 8.7304 8.7315 k = 0.5000 0.3365 0.2482 ( 5976 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9568 -17.9568 -17.9490 -17.9490 -17.6008 -17.6008 -17.5894 -17.5894 -17.5591 -17.5591 -17.5566 -17.5566 -10.9299 -10.9299 -10.9281 -10.9281 -10.8817 -10.8817 -10.8774 -10.8774 -0.5488 -0.5488 -0.5457 -0.5457 -0.1350 -0.1350 -0.1220 -0.1220 0.5333 0.5333 0.5540 0.5540 0.6929 0.6929 0.7006 0.7006 1.2873 1.2873 1.3171 1.3171 1.4539 1.4539 1.4817 1.4817 7.8710 7.8710 7.8740 7.8740 8.1317 8.1317 8.1389 8.1389 8.7234 8.7242 k = 0.5000 0.3365 0.2613 ( 5976 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9562 -17.9562 -17.9496 -17.9496 -17.5998 -17.5998 -17.5902 -17.5902 -17.5591 -17.5591 -17.5569 -17.5569 -10.9268 -10.9268 -10.9248 -10.9248 -10.8846 -10.8846 -10.8807 -10.8807 -0.5584 -0.5584 -0.5558 -0.5558 -0.1388 -0.1388 -0.1280 -0.1280 0.5352 0.5352 0.5521 0.5521 0.7033 0.7033 0.7094 0.7094 1.3021 1.3021 1.3291 1.3291 1.4554 1.4554 1.4807 1.4807 7.8924 7.8924 7.8959 7.8959 8.1103 8.1103 8.1173 8.1173 8.7166 8.7177 k = 0.5000 0.3365 0.2743 ( 5972 PWs) bands (ev): -36.6548 -36.6548 -36.6544 -36.6544 -17.9555 -17.9555 -17.9502 -17.9502 -17.5987 -17.5987 -17.5910 -17.5910 -17.5591 -17.5591 -17.5573 -17.5573 -10.9237 -10.9237 -10.9217 -10.9217 -10.8874 -10.8874 -10.8838 -10.8838 -0.5663 -0.5663 -0.5642 -0.5642 -0.1419 -0.1419 -0.1333 -0.1333 0.5369 0.5369 0.5502 0.5502 0.7120 0.7120 0.7167 0.7167 1.3154 1.3154 1.3388 1.3388 1.4571 1.4571 1.4790 1.4790 7.9140 7.9140 7.9179 7.9179 8.0889 8.0889 8.0957 8.0957 8.7110 8.7118 k = 0.5000 0.3365 0.2874 ( 5976 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9548 -17.9548 -17.9508 -17.9508 -17.5977 -17.5977 -17.5918 -17.5918 -17.5590 -17.5590 -17.5576 -17.5576 -10.9208 -10.9208 -10.9189 -10.9189 -10.8899 -10.8899 -10.8869 -10.8869 -0.5724 -0.5724 -0.5708 -0.5708 -0.1441 -0.1441 -0.1376 -0.1376 0.5386 0.5386 0.5484 0.5484 0.7190 0.7190 0.7223 0.7223 1.3270 1.3270 1.3457 1.3457 1.4591 1.4591 1.4768 1.4768 7.9356 7.9356 7.9399 7.9399 8.0675 8.0675 8.0741 8.0741 8.7066 8.7070 k = 0.5000 0.3365 0.3005 ( 5984 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9542 -17.9542 -17.9515 -17.9515 -17.5967 -17.5967 -17.5928 -17.5928 -17.5589 -17.5589 -17.5579 -17.5579 -10.9182 -10.9182 -10.9167 -10.9167 -10.8919 -10.8919 -10.8896 -10.8896 -0.5767 -0.5767 -0.5757 -0.5757 -0.1454 -0.1454 -0.1410 -0.1410 0.5402 0.5402 0.5467 0.5467 0.7241 0.7241 0.7262 0.7262 1.3366 1.3366 1.3498 1.3498 1.4615 1.4615 1.4740 1.4740 7.9572 7.9572 7.9618 7.9618 8.0463 8.0463 8.0525 8.0525 8.7031 8.7035 k = 0.5000 0.3365 0.3135 ( 5992 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9536 -17.9536 -17.9521 -17.9521 -17.5957 -17.5957 -17.5937 -17.5937 -17.5588 -17.5588 -17.5581 -17.5581 -10.9162 -10.9162 -10.9153 -10.9153 -10.8931 -10.8931 -10.8918 -10.8918 -0.5792 -0.5792 -0.5787 -0.5787 -0.1457 -0.1457 -0.1435 -0.1435 0.5418 0.5418 0.5450 0.5450 0.7273 0.7273 0.7284 0.7284 1.3439 1.3439 1.3507 1.3507 1.4644 1.4644 1.4709 1.4709 7.9781 7.9781 7.9828 7.9828 8.0258 8.0258 8.0313 8.0313 8.7011 8.7012 k = 0.5000 0.3365 0.3266 ( 5992 PWs) bands (ev): -36.6549 -36.6549 -36.6544 -36.6544 -17.9531 -17.9531 -17.9526 -17.9526 -17.5949 -17.5949 -17.5945 -17.5945 -17.5587 -17.5587 -17.5582 -17.5582 -10.9152 -10.9152 -10.9151 -10.9151 -10.8931 -10.8931 -10.8930 -10.8930 -0.5799 -0.5799 -0.5798 -0.5798 -0.1451 -0.1451 -0.1451 -0.1451 0.5433 0.5433 0.5435 0.5435 0.7288 0.7288 0.7288 0.7288 1.3487 1.3487 1.3487 1.3487 1.4675 1.4675 1.4676 1.4676 7.9942 7.9942 7.9945 7.9945 8.0146 8.0146 8.0149 8.0149 8.7003 8.7004 Writing output data file CaCl2.save init_run : 0.27s CPU 0.77s WALL ( 1 calls) electrons : 567.12s CPU 575.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 567.11s CPU 575.25s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.13s WALL ( 368 calls) cegterg : 547.74s CPU 554.11s WALL ( 1495 calls) Called by sum_band: Called by *egterg: h_psi : 253.11s CPU 256.53s WALL ( 29075 calls) s_psi : 22.27s CPU 22.46s WALL ( 29075 calls) g_psi : 0.72s CPU 0.81s WALL ( 27212 calls) cdiaghg : 216.77s CPU 219.80s WALL ( 27580 calls) cegterg:over : 23.17s CPU 23.07s WALL ( 27212 calls) cegterg:upda : 25.83s CPU 26.28s WALL ( 27212 calls) cegterg:last : 9.72s CPU 9.69s WALL ( 2964 calls) cdiaghg:chol : 12.54s CPU 12.38s WALL ( 27580 calls) cdiaghg:inve : 8.16s CPU 8.39s WALL ( 27580 calls) cdiaghg:para : 13.20s CPU 13.37s WALL ( 55160 calls) Called by h_psi: h_psi:vloc : 202.84s CPU 206.24s WALL ( 29075 calls) h_psi:vnl : 49.36s CPU 49.33s WALL ( 29075 calls) add_vuspsi : 26.86s CPU 26.89s WALL ( 29075 calls) General routines calbec : 22.43s CPU 22.36s WALL ( 29075 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 190.18s CPU 193.75s WALL ( 1918928 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.31s CPU 0.38s WALL ( 736 calls) Parallel routines fft_scatter : 69.16s CPU 70.80s WALL ( 1918951 calls) PWSCF : 9m50.83s CPU 10m32.44s WALL This run was terminated on: 16:46:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=