Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:38:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SbPO4.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 81 47 13 2988 1304 204 Max 82 48 14 2993 1330 208 Sum 2939 1701 495 107653 47571 7421 bravais-lattice index = 14 lattice parameter (alat) = 12.7783 a.u. unit-cell volume = 1093.2085 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.778327 celldm(2)= 0.698610 celldm(3)= 0.752440 celldm(4)= 0.080895 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 0.698610 0.000000 ) a(3) = ( 0.000000 0.060868 0.749974 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.431414 -0.116175 ) b(3) = ( 0.000000 0.000000 1.333379 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 O 6.00 15.99940 O( 1.00) Sb 5.00 121.76000 Sb( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops., with inversion, found (note: 2 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 inversion 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 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 273 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0000000 0.0215061), wk = 0.0036630 k( 3) = ( 0.0000000 0.0000000 0.0430122), wk = 0.0036630 k( 4) = ( 0.0000000 0.0000000 0.0645184), wk = 0.0036630 k( 5) = ( 0.0000000 0.0000000 0.0860245), wk = 0.0036630 k( 6) = ( 0.0000000 0.0000000 0.1075306), wk = 0.0036630 k( 7) = ( 0.0000000 0.0000000 0.1290367), wk = 0.0036630 k( 8) = ( 0.0000000 0.0000000 0.1505428), wk = 0.0036630 k( 9) = ( 0.0000000 0.0000000 0.1720490), wk = 0.0036630 k( 10) = ( 0.0000000 0.0000000 0.1935551), wk = 0.0036630 k( 11) = ( 0.0000000 0.0000000 0.2150612), wk = 0.0036630 k( 12) = ( 0.0000000 0.0000000 0.2365673), wk = 0.0036630 k( 13) = ( 0.0000000 0.0000000 0.2580734), wk = 0.0036630 k( 14) = ( 0.0000000 0.0000000 0.2795796), wk = 0.0036630 k( 15) = ( 0.0000000 0.0000000 0.3010857), wk = 0.0036630 k( 16) = ( 0.0000000 0.0000000 0.3225918), wk = 0.0036630 k( 17) = ( 0.0000000 0.0000000 0.3440979), wk = 0.0036630 k( 18) = ( 0.0000000 0.0000000 0.3656040), wk = 0.0036630 k( 19) = ( 0.0000000 0.0000000 0.3871101), wk = 0.0036630 k( 20) = ( 0.0000000 0.0000000 0.4086163), wk = 0.0036630 k( 21) = ( 0.0000000 0.0000000 0.4301224), wk = 0.0036630 k( 22) = ( 0.0000000 0.0000000 0.4516285), wk = 0.0036630 k( 23) = ( 0.0000000 0.0000000 0.4731346), wk = 0.0036630 k( 24) = ( 0.0000000 0.0000000 0.4946407), wk = 0.0036630 k( 25) = ( 0.0000000 0.0000000 0.5161469), wk = 0.0036630 k( 26) = ( 0.0000000 0.0000000 0.5376530), wk = 0.0036630 k( 27) = ( 0.0000000 0.0000000 0.5591591), wk = 0.0036630 k( 28) = ( 0.0000000 0.0000000 0.5806652), wk = 0.0036630 k( 29) = ( 0.0000000 0.0000000 0.6021713), wk = 0.0036630 k( 30) = ( 0.0000000 0.0000000 0.6236775), wk = 0.0036630 k( 31) = ( 0.0000000 0.0000000 0.6451836), wk = 0.0036630 k( 32) = ( 0.0000000 0.0000000 0.6666897), wk = 0.0036630 k( 33) = ( 0.0000000 0.0000000 0.6666897), wk = 0.0036630 k( 34) = ( 0.0000000 0.0214939 0.6666897), wk = 0.0036630 k( 35) = ( 0.0000000 0.0429879 0.6666897), wk = 0.0036630 k( 36) = ( 0.0000000 0.0644818 0.6666897), wk = 0.0036630 k( 37) = ( 0.0000000 0.0859758 0.6666897), wk = 0.0036630 k( 38) = ( 0.0000000 0.1074697 0.6666897), wk = 0.0036630 k( 39) = ( 0.0000000 0.1289637 0.6666897), wk = 0.0036630 k( 40) = ( 0.0000000 0.1504576 0.6666897), wk = 0.0036630 k( 41) = ( 0.0000000 0.1719516 0.6666897), wk = 0.0036630 k( 42) = ( 0.0000000 0.1934455 0.6666897), wk = 0.0036630 k( 43) = ( 0.0000000 0.2149395 0.6666897), wk = 0.0036630 k( 44) = ( 0.0000000 0.2364334 0.6666897), wk = 0.0036630 k( 45) = ( 0.0000000 0.2579274 0.6666897), wk = 0.0036630 k( 46) = ( 0.0000000 0.2794213 0.6666897), wk = 0.0036630 k( 47) = ( 0.0000000 0.3009153 0.6666897), wk = 0.0036630 k( 48) = ( 0.0000000 0.3224092 0.6666897), wk = 0.0036630 k( 49) = ( 0.0000000 0.3439032 0.6666897), wk = 0.0036630 k( 50) = ( 0.0000000 0.3653971 0.6666897), wk = 0.0036630 k( 51) = ( 0.0000000 0.3868911 0.6666897), wk = 0.0036630 k( 52) = ( 0.0000000 0.4083850 0.6666897), wk = 0.0036630 k( 53) = ( 0.0000000 0.4298790 0.6666897), wk = 0.0036630 k( 54) = ( 0.0000000 0.4513729 0.6666897), wk = 0.0036630 k( 55) = ( 0.0000000 0.4728669 0.6666897), wk = 0.0036630 k( 56) = ( 0.0000000 0.4943608 0.6666897), wk = 0.0036630 k( 57) = ( 0.0000000 0.5158547 0.6666897), wk = 0.0036630 k( 58) = ( 0.0000000 0.5373487 0.6666897), wk = 0.0036630 k( 59) = ( 0.0000000 0.5588426 0.6666897), wk = 0.0036630 k( 60) = ( 0.0000000 0.5803366 0.6666897), wk = 0.0036630 k( 61) = ( 0.0000000 0.6018305 0.6666897), wk = 0.0036630 k( 62) = ( 0.0000000 0.6233245 0.6666897), wk = 0.0036630 k( 63) = ( 0.0000000 0.6448184 0.6666897), wk = 0.0036630 k( 64) = ( 0.0000000 0.6663124 0.6666897), wk = 0.0036630 k( 65) = ( 0.0000000 0.6663124 0.6666897), wk = 0.0036630 k( 66) = ( 0.0000000 0.6786610 0.6521679), wk = 0.0036630 k( 67) = ( 0.0000000 0.6910097 0.6376460), wk = 0.0036630 k( 68) = ( 0.0000000 0.7033584 0.6231242), wk = 0.0036630 k( 69) = ( 0.0000000 0.7157070 0.6086024), wk = 0.0036630 k( 70) = ( 0.0000000 0.7157070 0.6086024), wk = 0.0036630 k( 71) = ( 0.0208333 0.7157070 0.6086024), wk = 0.0036630 k( 72) = ( 0.0416667 0.7157070 0.6086024), wk = 0.0036630 k( 73) = ( 0.0625000 0.7157070 0.6086024), wk = 0.0036630 k( 74) = ( 0.0833333 0.7157070 0.6086024), wk = 0.0036630 k( 75) = ( 0.1041667 0.7157070 0.6086024), wk = 0.0036630 k( 76) = ( 0.1250000 0.7157070 0.6086024), wk = 0.0036630 k( 77) = ( 0.1458333 0.7157070 0.6086024), wk = 0.0036630 k( 78) = ( 0.1666667 0.7157070 0.6086024), wk = 0.0036630 k( 79) = ( 0.1875000 0.7157070 0.6086024), wk = 0.0036630 k( 80) = ( 0.2083333 0.7157070 0.6086024), wk = 0.0036630 k( 81) = ( 0.2291667 0.7157070 0.6086024), wk = 0.0036630 k( 82) = ( 0.2500000 0.7157070 0.6086024), wk = 0.0036630 k( 83) = ( 0.2708333 0.7157070 0.6086024), wk = 0.0036630 k( 84) = ( 0.2916667 0.7157070 0.6086024), wk = 0.0036630 k( 85) = ( 0.3125000 0.7157070 0.6086024), wk = 0.0036630 k( 86) = ( 0.3333333 0.7157070 0.6086024), wk = 0.0036630 k( 87) = ( 0.3541667 0.7157070 0.6086024), wk = 0.0036630 k( 88) = ( 0.3750000 0.7157070 0.6086024), wk = 0.0036630 k( 89) = ( 0.3958333 0.7157070 0.6086024), wk = 0.0036630 k( 90) = ( 0.4166667 0.7157070 0.6086024), wk = 0.0036630 k( 91) = ( 0.4375000 0.7157070 0.6086024), wk = 0.0036630 k( 92) = ( 0.4583333 0.7157070 0.6086024), wk = 0.0036630 k( 93) = ( 0.4791667 0.7157070 0.6086024), wk = 0.0036630 k( 94) = ( 0.5000000 0.7157070 0.6086024), wk = 0.0036630 k( 95) = ( 0.5000000 0.7157070 0.6086024), wk = 0.0036630 k( 96) = ( 0.5000000 0.7280557 0.5940805), wk = 0.0036630 k( 97) = ( 0.5000000 0.7404043 0.5795587), wk = 0.0036630 k( 98) = ( 0.5000000 0.7527530 0.5650368), wk = 0.0036630 k( 99) = ( 0.5000000 0.7651017 0.5505150), wk = 0.0036630 k( 100) = ( 0.5000000 0.7651017 0.5505150), wk = 0.0036630 k( 101) = ( 0.5000000 0.7633984 0.5295287), wk = 0.0036630 k( 102) = ( 0.5000000 0.7616951 0.5085424), wk = 0.0036630 k( 103) = ( 0.5000000 0.7599919 0.4875561), wk = 0.0036630 k( 104) = ( 0.5000000 0.7582886 0.4665699), wk = 0.0036630 k( 105) = ( 0.5000000 0.7565854 0.4455836), wk = 0.0036630 k( 106) = ( 0.5000000 0.7548821 0.4245973), wk = 0.0036630 k( 107) = ( 0.5000000 0.7531788 0.4036110), wk = 0.0036630 k( 108) = ( 0.5000000 0.7514756 0.3826247), wk = 0.0036630 k( 109) = ( 0.5000000 0.7497723 0.3616384), wk = 0.0036630 k( 110) = ( 0.5000000 0.7480690 0.3406521), wk = 0.0036630 k( 111) = ( 0.5000000 0.7463658 0.3196658), wk = 0.0036630 k( 112) = ( 0.5000000 0.7446625 0.2986796), wk = 0.0036630 k( 113) = ( 0.5000000 0.7429592 0.2776933), wk = 0.0036630 k( 114) = ( 0.5000000 0.7412560 0.2567070), wk = 0.0036630 k( 115) = ( 0.5000000 0.7395527 0.2357207), wk = 0.0036630 k( 116) = ( 0.5000000 0.7378495 0.2147344), wk = 0.0036630 k( 117) = ( 0.5000000 0.7361462 0.1937481), wk = 0.0036630 k( 118) = ( 0.5000000 0.7344429 0.1727618), wk = 0.0036630 k( 119) = ( 0.5000000 0.7327397 0.1517755), wk = 0.0036630 k( 120) = ( 0.5000000 0.7310364 0.1307893), wk = 0.0036630 k( 121) = ( 0.5000000 0.7293331 0.1098030), wk = 0.0036630 k( 122) = ( 0.5000000 0.7276299 0.0888167), wk = 0.0036630 k( 123) = ( 0.5000000 0.7259266 0.0678304), wk = 0.0036630 k( 124) = ( 0.5000000 0.7242233 0.0468441), wk = 0.0036630 k( 125) = ( 0.5000000 0.7225201 0.0258578), wk = 0.0036630 k( 126) = ( 0.5000000 0.7208168 0.0048715), wk = 0.0036630 k( 127) = ( 0.5000000 0.7191136 -0.0161148), wk = 0.0036630 k( 128) = ( 0.5000000 0.7174103 -0.0371010), wk = 0.0036630 k( 129) = ( 0.5000000 0.7157070 -0.0580873), wk = 0.0036630 k( 130) = ( 0.5000000 0.7157070 -0.0580873), wk = 0.0036630 k( 131) = ( 0.4791667 0.7157070 -0.0580873), wk = 0.0036630 k( 132) = ( 0.4583333 0.7157070 -0.0580873), wk = 0.0036630 k( 133) = ( 0.4375000 0.7157070 -0.0580873), wk = 0.0036630 k( 134) = ( 0.4166667 0.7157070 -0.0580873), wk = 0.0036630 k( 135) = ( 0.3958333 0.7157070 -0.0580873), wk = 0.0036630 k( 136) = ( 0.3750000 0.7157070 -0.0580873), wk = 0.0036630 k( 137) = ( 0.3541667 0.7157070 -0.0580873), wk = 0.0036630 k( 138) = ( 0.3333333 0.7157070 -0.0580873), wk = 0.0036630 k( 139) = ( 0.3125000 0.7157070 -0.0580873), wk = 0.0036630 k( 140) = ( 0.2916667 0.7157070 -0.0580873), wk = 0.0036630 k( 141) = ( 0.2708333 0.7157070 -0.0580873), wk = 0.0036630 k( 142) = ( 0.2500000 0.7157070 -0.0580873), wk = 0.0036630 k( 143) = ( 0.2291667 0.7157070 -0.0580873), wk = 0.0036630 k( 144) = ( 0.2083333 0.7157070 -0.0580873), wk = 0.0036630 k( 145) = ( 0.1875000 0.7157070 -0.0580873), wk = 0.0036630 k( 146) = ( 0.1666667 0.7157070 -0.0580873), wk = 0.0036630 k( 147) = ( 0.1458333 0.7157070 -0.0580873), wk = 0.0036630 k( 148) = ( 0.1250000 0.7157070 -0.0580873), wk = 0.0036630 k( 149) = ( 0.1041667 0.7157070 -0.0580873), wk = 0.0036630 k( 150) = ( 0.0833333 0.7157070 -0.0580873), wk = 0.0036630 k( 151) = ( 0.0625000 0.7157070 -0.0580873), wk = 0.0036630 k( 152) = ( 0.0416667 0.7157070 -0.0580873), wk = 0.0036630 k( 153) = ( 0.0208333 0.7157070 -0.0580873), wk = 0.0036630 k( 154) = ( 0.0000000 0.7157070 -0.0580873), wk = 0.0036630 k( 155) = ( 0.0000000 0.7157070 -0.0580873), wk = 0.0036630 k( 156) = ( 0.0000000 0.7174103 -0.0371010), wk = 0.0036630 k( 157) = ( 0.0000000 0.7191136 -0.0161148), wk = 0.0036630 k( 158) = ( 0.0000000 0.7208168 0.0048715), wk = 0.0036630 k( 159) = ( 0.0000000 0.7225201 0.0258578), wk = 0.0036630 k( 160) = ( 0.0000000 0.7242233 0.0468441), wk = 0.0036630 k( 161) = ( 0.0000000 0.7259266 0.0678304), wk = 0.0036630 k( 162) = ( 0.0000000 0.7276299 0.0888167), wk = 0.0036630 k( 163) = ( 0.0000000 0.7293331 0.1098030), wk = 0.0036630 k( 164) = ( 0.0000000 0.7310364 0.1307893), wk = 0.0036630 k( 165) = ( 0.0000000 0.7327397 0.1517755), wk = 0.0036630 k( 166) = ( 0.0000000 0.7344429 0.1727618), wk = 0.0036630 k( 167) = ( 0.0000000 0.7361462 0.1937481), wk = 0.0036630 k( 168) = ( 0.0000000 0.7378495 0.2147344), wk = 0.0036630 k( 169) = ( 0.0000000 0.7395527 0.2357207), wk = 0.0036630 k( 170) = ( 0.0000000 0.7412560 0.2567070), wk = 0.0036630 k( 171) = ( 0.0000000 0.7429592 0.2776933), wk = 0.0036630 k( 172) = ( 0.0000000 0.7446625 0.2986796), wk = 0.0036630 k( 173) = ( 0.0000000 0.7463658 0.3196658), wk = 0.0036630 k( 174) = ( 0.0000000 0.7480690 0.3406521), wk = 0.0036630 k( 175) = ( 0.0000000 0.7497723 0.3616384), wk = 0.0036630 k( 176) = ( 0.0000000 0.7514756 0.3826247), wk = 0.0036630 k( 177) = ( 0.0000000 0.7531788 0.4036110), wk = 0.0036630 k( 178) = ( 0.0000000 0.7548821 0.4245973), wk = 0.0036630 k( 179) = ( 0.0000000 0.7565854 0.4455836), wk = 0.0036630 k( 180) = ( 0.0000000 0.7582886 0.4665699), wk = 0.0036630 k( 181) = ( 0.0000000 0.7599919 0.4875561), wk = 0.0036630 k( 182) = ( 0.0000000 0.7616951 0.5085424), wk = 0.0036630 k( 183) = ( 0.0000000 0.7633984 0.5295287), wk = 0.0036630 k( 184) = ( 0.0000000 0.7651017 0.5505150), wk = 0.0036630 k( 185) = ( 0.5000000 0.6663124 0.6666897), wk = 0.0036630 k( 186) = ( 0.5000000 0.6448184 0.6666897), wk = 0.0036630 k( 187) = ( 0.5000000 0.6233245 0.6666897), wk = 0.0036630 k( 188) = ( 0.5000000 0.6018305 0.6666897), wk = 0.0036630 k( 189) = ( 0.5000000 0.5803366 0.6666897), wk = 0.0036630 k( 190) = ( 0.5000000 0.5588426 0.6666897), wk = 0.0036630 k( 191) = ( 0.5000000 0.5373487 0.6666897), wk = 0.0036630 k( 192) = ( 0.5000000 0.5158547 0.6666897), wk = 0.0036630 k( 193) = ( 0.5000000 0.4943608 0.6666897), wk = 0.0036630 k( 194) = ( 0.5000000 0.4728669 0.6666897), wk = 0.0036630 k( 195) = ( 0.5000000 0.4513729 0.6666897), wk = 0.0036630 k( 196) = ( 0.5000000 0.4298790 0.6666897), wk = 0.0036630 k( 197) = ( 0.5000000 0.4083850 0.6666897), wk = 0.0036630 k( 198) = ( 0.5000000 0.3868911 0.6666897), wk = 0.0036630 k( 199) = ( 0.5000000 0.3653971 0.6666897), wk = 0.0036630 k( 200) = ( 0.5000000 0.3439032 0.6666897), wk = 0.0036630 k( 201) = ( 0.5000000 0.3224092 0.6666897), wk = 0.0036630 k( 202) = ( 0.5000000 0.3009153 0.6666897), wk = 0.0036630 k( 203) = ( 0.5000000 0.2794213 0.6666897), wk = 0.0036630 k( 204) = ( 0.5000000 0.2579274 0.6666897), wk = 0.0036630 k( 205) = ( 0.5000000 0.2364334 0.6666897), wk = 0.0036630 k( 206) = ( 0.5000000 0.2149395 0.6666897), wk = 0.0036630 k( 207) = ( 0.5000000 0.1934455 0.6666897), wk = 0.0036630 k( 208) = ( 0.5000000 0.1719516 0.6666897), wk = 0.0036630 k( 209) = ( 0.5000000 0.1504576 0.6666897), wk = 0.0036630 k( 210) = ( 0.5000000 0.1289637 0.6666897), wk = 0.0036630 k( 211) = ( 0.5000000 0.1074697 0.6666897), wk = 0.0036630 k( 212) = ( 0.5000000 0.0859758 0.6666897), wk = 0.0036630 k( 213) = ( 0.5000000 0.0644818 0.6666897), wk = 0.0036630 k( 214) = ( 0.5000000 0.0429879 0.6666897), wk = 0.0036630 k( 215) = ( 0.5000000 0.0214939 0.6666897), wk = 0.0036630 k( 216) = ( 0.5000000 -0.0000000 0.6666897), wk = 0.0036630 k( 217) = ( 0.5000000 -0.0000000 0.6666897), wk = 0.0036630 k( 218) = ( 0.5000000 -0.0000000 0.6451836), wk = 0.0036630 k( 219) = ( 0.5000000 -0.0000000 0.6236775), wk = 0.0036630 k( 220) = ( 0.5000000 -0.0000000 0.6021713), wk = 0.0036630 k( 221) = ( 0.5000000 -0.0000000 0.5806652), wk = 0.0036630 k( 222) = ( 0.5000000 -0.0000000 0.5591591), wk = 0.0036630 k( 223) = ( 0.5000000 -0.0000000 0.5376530), wk = 0.0036630 k( 224) = ( 0.5000000 -0.0000000 0.5161469), wk = 0.0036630 k( 225) = ( 0.5000000 -0.0000000 0.4946407), wk = 0.0036630 k( 226) = ( 0.5000000 -0.0000000 0.4731346), wk = 0.0036630 k( 227) = ( 0.5000000 -0.0000000 0.4516285), wk = 0.0036630 k( 228) = ( 0.5000000 -0.0000000 0.4301224), wk = 0.0036630 k( 229) = ( 0.5000000 -0.0000000 0.4086163), wk = 0.0036630 k( 230) = ( 0.5000000 -0.0000000 0.3871101), wk = 0.0036630 k( 231) = ( 0.5000000 -0.0000000 0.3656040), wk = 0.0036630 k( 232) = ( 0.5000000 -0.0000000 0.3440979), wk = 0.0036630 k( 233) = ( 0.5000000 -0.0000000 0.3225918), wk = 0.0036630 k( 234) = ( 0.5000000 -0.0000000 0.3010857), wk = 0.0036630 k( 235) = ( 0.5000000 -0.0000000 0.2795796), wk = 0.0036630 k( 236) = ( 0.5000000 -0.0000000 0.2580734), wk = 0.0036630 k( 237) = ( 0.5000000 -0.0000000 0.2365673), wk = 0.0036630 k( 238) = ( 0.5000000 -0.0000000 0.2150612), wk = 0.0036630 k( 239) = ( 0.5000000 -0.0000000 0.1935551), wk = 0.0036630 k( 240) = ( 0.5000000 -0.0000000 0.1720490), wk = 0.0036630 k( 241) = ( 0.5000000 -0.0000000 0.1505428), wk = 0.0036630 k( 242) = ( 0.5000000 -0.0000000 0.1290367), wk = 0.0036630 k( 243) = ( 0.5000000 -0.0000000 0.1075306), wk = 0.0036630 k( 244) = ( 0.5000000 -0.0000000 0.0860245), wk = 0.0036630 k( 245) = ( 0.5000000 -0.0000000 0.0645184), wk = 0.0036630 k( 246) = ( 0.5000000 -0.0000000 0.0430122), wk = 0.0036630 k( 247) = ( 0.5000000 -0.0000000 0.0215061), wk = 0.0036630 k( 248) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036630 k( 249) = ( 0.0000000 0.0000000 0.6666897), wk = 0.0036630 k( 250) = ( 0.0208333 -0.0000000 0.6666897), wk = 0.0036630 k( 251) = ( 0.0416667 -0.0000000 0.6666897), wk = 0.0036630 k( 252) = ( 0.0625000 -0.0000000 0.6666897), wk = 0.0036630 k( 253) = ( 0.0833333 -0.0000000 0.6666897), wk = 0.0036630 k( 254) = ( 0.1041667 -0.0000000 0.6666897), wk = 0.0036630 k( 255) = ( 0.1250000 -0.0000000 0.6666897), wk = 0.0036630 k( 256) = ( 0.1458333 -0.0000000 0.6666897), wk = 0.0036630 k( 257) = ( 0.1666667 -0.0000000 0.6666897), wk = 0.0036630 k( 258) = ( 0.1875000 -0.0000000 0.6666897), wk = 0.0036630 k( 259) = ( 0.2083333 -0.0000000 0.6666897), wk = 0.0036630 k( 260) = ( 0.2291667 -0.0000000 0.6666897), wk = 0.0036630 k( 261) = ( 0.2500000 -0.0000000 0.6666897), wk = 0.0036630 k( 262) = ( 0.2708333 -0.0000000 0.6666897), wk = 0.0036630 k( 263) = ( 0.2916667 -0.0000000 0.6666897), wk = 0.0036630 k( 264) = ( 0.3125000 -0.0000000 0.6666897), wk = 0.0036630 k( 265) = ( 0.3333333 -0.0000000 0.6666897), wk = 0.0036630 k( 266) = ( 0.3541667 -0.0000000 0.6666897), wk = 0.0036630 k( 267) = ( 0.3750000 -0.0000000 0.6666897), wk = 0.0036630 k( 268) = ( 0.3958333 -0.0000000 0.6666897), wk = 0.0036630 k( 269) = ( 0.4166667 -0.0000000 0.6666897), wk = 0.0036630 k( 270) = ( 0.4375000 -0.0000000 0.6666897), wk = 0.0036630 k( 271) = ( 0.4583333 -0.0000000 0.6666897), wk = 0.0036630 k( 272) = ( 0.4791667 -0.0000000 0.6666897), wk = 0.0036630 k( 273) = ( 0.5000000 -0.0000000 0.6666897), wk = 0.0036630 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0036630 k( 3) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0036630 k( 4) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0036630 k( 5) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0036630 k( 6) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0036630 k( 7) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0036630 k( 8) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0036630 k( 9) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0036630 k( 10) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0036630 k( 11) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0036630 k( 12) = ( 0.0000000 0.0000000 0.1774193), wk = 0.0036630 k( 13) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0036630 k( 14) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0036630 k( 15) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0036630 k( 16) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0036630 k( 17) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0036630 k( 18) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0036630 k( 19) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0036630 k( 20) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0036630 k( 21) = ( 0.0000000 0.0000000 0.3225806), wk = 0.0036630 k( 22) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0036630 k( 23) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0036630 k( 24) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0036630 k( 25) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0036630 k( 26) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0036630 k( 27) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0036630 k( 28) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0036630 k( 29) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0036630 k( 30) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0036630 k( 31) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0036630 k( 32) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 33) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 34) = ( 0.0000000 0.0150159 0.5013083), wk = 0.0036630 k( 35) = ( 0.0000000 0.0300318 0.5026166), wk = 0.0036630 k( 36) = ( 0.0000000 0.0450477 0.5039249), wk = 0.0036630 k( 37) = ( 0.0000000 0.0600635 0.5052332), wk = 0.0036630 k( 38) = ( 0.0000000 0.0750794 0.5065415), wk = 0.0036630 k( 39) = ( 0.0000000 0.0900953 0.5078498), wk = 0.0036630 k( 40) = ( 0.0000000 0.1051112 0.5091581), wk = 0.0036630 k( 41) = ( 0.0000000 0.1201271 0.5104664), wk = 0.0036630 k( 42) = ( 0.0000000 0.1351430 0.5117747), wk = 0.0036630 k( 43) = ( 0.0000000 0.1501588 0.5130830), wk = 0.0036630 k( 44) = ( 0.0000000 0.1651747 0.5143913), wk = 0.0036630 k( 45) = ( 0.0000000 0.1801906 0.5156996), wk = 0.0036630 k( 46) = ( 0.0000000 0.1952065 0.5170079), wk = 0.0036630 k( 47) = ( 0.0000000 0.2102224 0.5183163), wk = 0.0036630 k( 48) = ( 0.0000000 0.2252383 0.5196246), wk = 0.0036630 k( 49) = ( 0.0000000 0.2402541 0.5209329), wk = 0.0036630 k( 50) = ( 0.0000000 0.2552700 0.5222412), wk = 0.0036630 k( 51) = ( 0.0000000 0.2702859 0.5235495), wk = 0.0036630 k( 52) = ( 0.0000000 0.2853018 0.5248578), wk = 0.0036630 k( 53) = ( 0.0000000 0.3003177 0.5261661), wk = 0.0036630 k( 54) = ( 0.0000000 0.3153336 0.5274744), wk = 0.0036630 k( 55) = ( 0.0000000 0.3303495 0.5287827), wk = 0.0036630 k( 56) = ( 0.0000000 0.3453653 0.5300910), wk = 0.0036630 k( 57) = ( 0.0000000 0.3603812 0.5313993), wk = 0.0036630 k( 58) = ( 0.0000000 0.3753971 0.5327076), wk = 0.0036630 k( 59) = ( 0.0000000 0.3904130 0.5340159), wk = 0.0036630 k( 60) = ( 0.0000000 0.4054289 0.5353242), wk = 0.0036630 k( 61) = ( 0.0000000 0.4204448 0.5366325), wk = 0.0036630 k( 62) = ( 0.0000000 0.4354606 0.5379408), wk = 0.0036630 k( 63) = ( 0.0000000 0.4504765 0.5392491), wk = 0.0036630 k( 64) = ( 0.0000000 0.4654924 0.5405574), wk = 0.0036630 k( 65) = ( 0.0000000 0.4654924 0.5405574), wk = 0.0036630 k( 66) = ( 0.0000000 0.4741193 0.5304181), wk = 0.0036630 k( 67) = ( 0.0000000 0.4827462 0.5202787), wk = 0.0036630 k( 68) = ( 0.0000000 0.4913731 0.5101394), wk = 0.0036630 k( 69) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036630 k( 70) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036630 k( 71) = ( 0.0208333 0.5000000 0.5000000), wk = 0.0036630 k( 72) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0036630 k( 73) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0036630 k( 74) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0036630 k( 75) = ( 0.1041667 0.5000000 0.5000000), wk = 0.0036630 k( 76) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0036630 k( 77) = ( 0.1458333 0.5000000 0.5000000), wk = 0.0036630 k( 78) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0036630 k( 79) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0036630 k( 80) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0036630 k( 81) = ( 0.2291667 0.5000000 0.5000000), wk = 0.0036630 k( 82) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0036630 k( 83) = ( 0.2708333 0.5000000 0.5000000), wk = 0.0036630 k( 84) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0036630 k( 85) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0036630 k( 86) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0036630 k( 87) = ( 0.3541667 0.5000000 0.5000000), wk = 0.0036630 k( 88) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0036630 k( 89) = ( 0.3958333 0.5000000 0.5000000), wk = 0.0036630 k( 90) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0036630 k( 91) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0036630 k( 92) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0036630 k( 93) = ( 0.4791667 0.5000000 0.5000000), wk = 0.0036630 k( 94) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036630 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036630 k( 96) = ( 0.5000000 0.5086269 0.4898606), wk = 0.0036630 k( 97) = ( 0.5000000 0.5172538 0.4797213), wk = 0.0036630 k( 98) = ( 0.5000000 0.5258807 0.4695819), wk = 0.0036630 k( 99) = ( 0.5000000 0.5345076 0.4594426), wk = 0.0036630 k( 100) = ( 0.5000000 0.5345076 0.4594426), wk = 0.0036630 k( 101) = ( 0.5000000 0.5333177 0.4435997), wk = 0.0036630 k( 102) = ( 0.5000000 0.5321278 0.4277569), wk = 0.0036630 k( 103) = ( 0.5000000 0.5309378 0.4119140), wk = 0.0036630 k( 104) = ( 0.5000000 0.5297479 0.3960712), wk = 0.0036630 k( 105) = ( 0.5000000 0.5285580 0.3802283), wk = 0.0036630 k( 106) = ( 0.5000000 0.5273681 0.3643855), wk = 0.0036630 k( 107) = ( 0.5000000 0.5261782 0.3485426), wk = 0.0036630 k( 108) = ( 0.5000000 0.5249883 0.3326998), wk = 0.0036630 k( 109) = ( 0.5000000 0.5237983 0.3168570), wk = 0.0036630 k( 110) = ( 0.5000000 0.5226084 0.3010141), wk = 0.0036630 k( 111) = ( 0.5000000 0.5214185 0.2851712), wk = 0.0036630 k( 112) = ( 0.5000000 0.5202286 0.2693284), wk = 0.0036630 k( 113) = ( 0.5000000 0.5190387 0.2534856), wk = 0.0036630 k( 114) = ( 0.5000000 0.5178487 0.2376427), wk = 0.0036630 k( 115) = ( 0.5000000 0.5166588 0.2217999), wk = 0.0036630 k( 116) = ( 0.5000000 0.5154689 0.2059570), wk = 0.0036630 k( 117) = ( 0.5000000 0.5142790 0.1901142), wk = 0.0036630 k( 118) = ( 0.5000000 0.5130891 0.1742713), wk = 0.0036630 k( 119) = ( 0.5000000 0.5118992 0.1584285), wk = 0.0036630 k( 120) = ( 0.5000000 0.5107093 0.1425856), wk = 0.0036630 k( 121) = ( 0.5000000 0.5095193 0.1267428), wk = 0.0036630 k( 122) = ( 0.5000000 0.5083294 0.1108999), wk = 0.0036630 k( 123) = ( 0.5000000 0.5071395 0.0950571), wk = 0.0036630 k( 124) = ( 0.5000000 0.5059496 0.0792142), wk = 0.0036630 k( 125) = ( 0.5000000 0.5047597 0.0633714), wk = 0.0036630 k( 126) = ( 0.5000000 0.5035698 0.0475285), wk = 0.0036630 k( 127) = ( 0.5000000 0.5023798 0.0316857), wk = 0.0036630 k( 128) = ( 0.5000000 0.5011899 0.0158429), wk = 0.0036630 k( 129) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036630 k( 130) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036630 k( 131) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0036630 k( 132) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0036630 k( 133) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0036630 k( 134) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0036630 k( 135) = ( 0.3958333 0.5000000 0.0000000), wk = 0.0036630 k( 136) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0036630 k( 137) = ( 0.3541667 0.5000000 0.0000000), wk = 0.0036630 k( 138) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0036630 k( 139) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0036630 k( 140) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0036630 k( 141) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0036630 k( 142) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0036630 k( 143) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0036630 k( 144) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0036630 k( 145) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0036630 k( 146) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0036630 k( 147) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0036630 k( 148) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0036630 k( 149) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0036630 k( 150) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0036630 k( 151) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0036630 k( 152) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0036630 k( 153) = ( 0.0208333 0.5000000 0.0000000), wk = 0.0036630 k( 154) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 155) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 156) = ( 0.0000000 0.5011899 0.0158429), wk = 0.0036630 k( 157) = ( 0.0000000 0.5023798 0.0316857), wk = 0.0036630 k( 158) = ( 0.0000000 0.5035698 0.0475285), wk = 0.0036630 k( 159) = ( 0.0000000 0.5047597 0.0633714), wk = 0.0036630 k( 160) = ( 0.0000000 0.5059496 0.0792142), wk = 0.0036630 k( 161) = ( 0.0000000 0.5071395 0.0950571), wk = 0.0036630 k( 162) = ( 0.0000000 0.5083294 0.1108999), wk = 0.0036630 k( 163) = ( 0.0000000 0.5095193 0.1267428), wk = 0.0036630 k( 164) = ( 0.0000000 0.5107093 0.1425856), wk = 0.0036630 k( 165) = ( 0.0000000 0.5118992 0.1584285), wk = 0.0036630 k( 166) = ( 0.0000000 0.5130891 0.1742713), wk = 0.0036630 k( 167) = ( 0.0000000 0.5142790 0.1901142), wk = 0.0036630 k( 168) = ( 0.0000000 0.5154689 0.2059570), wk = 0.0036630 k( 169) = ( 0.0000000 0.5166588 0.2217999), wk = 0.0036630 k( 170) = ( 0.0000000 0.5178487 0.2376427), wk = 0.0036630 k( 171) = ( 0.0000000 0.5190387 0.2534856), wk = 0.0036630 k( 172) = ( 0.0000000 0.5202286 0.2693284), wk = 0.0036630 k( 173) = ( 0.0000000 0.5214185 0.2851712), wk = 0.0036630 k( 174) = ( 0.0000000 0.5226084 0.3010141), wk = 0.0036630 k( 175) = ( 0.0000000 0.5237983 0.3168569), wk = 0.0036630 k( 176) = ( 0.0000000 0.5249883 0.3326998), wk = 0.0036630 k( 177) = ( 0.0000000 0.5261782 0.3485426), wk = 0.0036630 k( 178) = ( 0.0000000 0.5273681 0.3643855), wk = 0.0036630 k( 179) = ( 0.0000000 0.5285580 0.3802283), wk = 0.0036630 k( 180) = ( 0.0000000 0.5297479 0.3960712), wk = 0.0036630 k( 181) = ( 0.0000000 0.5309378 0.4119140), wk = 0.0036630 k( 182) = ( 0.0000000 0.5321278 0.4277569), wk = 0.0036630 k( 183) = ( 0.0000000 0.5333177 0.4435997), wk = 0.0036630 k( 184) = ( 0.0000000 0.5345076 0.4594426), wk = 0.0036630 k( 185) = ( 0.5000000 0.4654924 0.5405574), wk = 0.0036630 k( 186) = ( 0.5000000 0.4504765 0.5392491), wk = 0.0036630 k( 187) = ( 0.5000000 0.4354607 0.5379408), wk = 0.0036630 k( 188) = ( 0.5000000 0.4204448 0.5366325), wk = 0.0036630 k( 189) = ( 0.5000000 0.4054289 0.5353242), wk = 0.0036630 k( 190) = ( 0.5000000 0.3904130 0.5340159), wk = 0.0036630 k( 191) = ( 0.5000000 0.3753971 0.5327076), wk = 0.0036630 k( 192) = ( 0.5000000 0.3603812 0.5313993), wk = 0.0036630 k( 193) = ( 0.5000000 0.3453653 0.5300910), wk = 0.0036630 k( 194) = ( 0.5000000 0.3303495 0.5287827), wk = 0.0036630 k( 195) = ( 0.5000000 0.3153336 0.5274744), wk = 0.0036630 k( 196) = ( 0.5000000 0.3003177 0.5261661), wk = 0.0036630 k( 197) = ( 0.5000000 0.2853018 0.5248578), wk = 0.0036630 k( 198) = ( 0.5000000 0.2702859 0.5235495), wk = 0.0036630 k( 199) = ( 0.5000000 0.2552700 0.5222412), wk = 0.0036630 k( 200) = ( 0.5000000 0.2402541 0.5209329), wk = 0.0036630 k( 201) = ( 0.5000000 0.2252383 0.5196246), wk = 0.0036630 k( 202) = ( 0.5000000 0.2102224 0.5183163), wk = 0.0036630 k( 203) = ( 0.5000000 0.1952065 0.5170079), wk = 0.0036630 k( 204) = ( 0.5000000 0.1801906 0.5156996), wk = 0.0036630 k( 205) = ( 0.5000000 0.1651747 0.5143913), wk = 0.0036630 k( 206) = ( 0.5000000 0.1501588 0.5130830), wk = 0.0036630 k( 207) = ( 0.5000000 0.1351430 0.5117747), wk = 0.0036630 k( 208) = ( 0.5000000 0.1201271 0.5104664), wk = 0.0036630 k( 209) = ( 0.5000000 0.1051112 0.5091581), wk = 0.0036630 k( 210) = ( 0.5000000 0.0900953 0.5078498), wk = 0.0036630 k( 211) = ( 0.5000000 0.0750794 0.5065415), wk = 0.0036630 k( 212) = ( 0.5000000 0.0600635 0.5052332), wk = 0.0036630 k( 213) = ( 0.5000000 0.0450476 0.5039249), wk = 0.0036630 k( 214) = ( 0.5000000 0.0300318 0.5026166), wk = 0.0036630 k( 215) = ( 0.5000000 0.0150159 0.5013083), wk = 0.0036630 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036630 k( 217) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036630 k( 218) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0036630 k( 219) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0036630 k( 220) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0036630 k( 221) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0036630 k( 222) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0036630 k( 223) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0036630 k( 224) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0036630 k( 225) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0036630 k( 226) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0036630 k( 227) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0036630 k( 228) = ( 0.5000000 0.0000000 0.3225806), wk = 0.0036630 k( 229) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0036630 k( 230) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0036630 k( 231) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0036630 k( 232) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0036630 k( 233) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0036630 k( 234) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0036630 k( 235) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0036630 k( 236) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0036630 k( 237) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0036630 k( 238) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0036630 k( 239) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0036630 k( 240) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0036630 k( 241) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0036630 k( 242) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0036630 k( 243) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0036630 k( 244) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0036630 k( 245) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0036630 k( 246) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0036630 k( 247) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0036630 k( 248) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036630 k( 249) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 250) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0036630 k( 251) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0036630 k( 252) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0036630 k( 253) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0036630 k( 254) = ( 0.1041667 -0.0000000 0.5000000), wk = 0.0036630 k( 255) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0036630 k( 256) = ( 0.1458333 0.0000000 0.5000000), wk = 0.0036630 k( 257) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0036630 k( 258) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0036630 k( 259) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0036630 k( 260) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0036630 k( 261) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0036630 k( 262) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0036630 k( 263) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0036630 k( 264) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0036630 k( 265) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0036630 k( 266) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0036630 k( 267) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0036630 k( 268) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0036630 k( 269) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0036630 k( 270) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0036630 k( 271) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0036630 k( 272) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0036630 k( 273) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036630 Dense grid: 107653 G-vectors FFT dimensions: ( 75, 54, 60) Smooth grid: 47571 G-vectors FFT dimensions: ( 60, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 342, 82) NL pseudopotentials 0.65 Mb ( 171, 248) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.02 Mb ( 2991) G-vector shells 0.02 Mb ( 2848) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.71 Mb ( 342, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.62 Mb ( 248, 2, 82) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SbPO4.save/charge-density.dat negative rho (up, down): 1.330E-02 0.000E+00 Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 8.7 secs Computing kpt #: 5 total cpu time spent up to now is 10.3 secs Computing kpt #: 6 total cpu time spent up to now is 11.9 secs Computing kpt #: 7 total cpu time spent up to now is 13.5 secs Computing kpt #: 8 total cpu time spent up to now is 15.2 secs Computing kpt #: 9 total cpu time spent up to now is 17.0 secs Computing kpt #: 10 total cpu time spent up to now is 18.9 secs Computing kpt #: 11 total cpu time spent up to now is 20.7 secs Computing kpt #: 12 total cpu time spent up to now is 22.6 secs Computing kpt #: 13 total cpu time spent up to now is 24.5 secs Computing kpt #: 14 total cpu time spent up to now is 26.7 secs Computing kpt #: 15 total cpu time spent up to now is 28.9 secs Computing kpt #: 16 total cpu time spent up to now is 31.1 secs Computing kpt #: 17 total cpu time spent up to now is 33.4 secs Computing kpt #: 18 total cpu time spent up to now is 35.8 secs Computing kpt #: 19 total cpu time spent up to now is 38.3 secs Computing kpt #: 20 total cpu time spent up to now is 41.1 secs Computing kpt #: 21 total cpu time spent up to now is 44.1 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.4 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.7 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.0 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.2 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.5 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.8 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 67.1 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 70.4 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.7 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.9 secs Computing kpt #: 32 total cpu time spent up to now is 79.8 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.9 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.2 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.5 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.8 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 96.1 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.3 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.7 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.9 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.2 secs Computing kpt #: 42 total cpu time spent up to now is 112.4 secs Computing kpt #: 43 total cpu time spent up to now is 115.2 secs Computing kpt #: 44 total cpu time spent up to now is 117.9 secs Computing kpt #: 45 total cpu time spent up to now is 120.6 secs Computing kpt #: 46 total cpu time spent up to now is 123.2 secs Computing kpt #: 47 total cpu time spent up to now is 125.8 secs Computing kpt #: 48 total cpu time spent up to now is 128.1 secs Computing kpt #: 49 total cpu time spent up to now is 130.5 secs Computing kpt #: 50 total cpu time spent up to now is 132.7 secs Computing kpt #: 51 total cpu time spent up to now is 134.8 secs Computing kpt #: 52 total cpu time spent up to now is 136.8 secs Computing kpt #: 53 total cpu time spent up to now is 138.6 secs Computing kpt #: 54 total cpu time spent up to now is 140.5 secs Computing kpt #: 55 total cpu time spent up to now is 142.2 secs Computing kpt #: 56 total cpu time spent up to now is 144.0 secs Computing kpt #: 57 total cpu time spent up to now is 145.6 secs Computing kpt #: 58 total cpu time spent up to now is 147.5 secs Computing kpt #: 59 total cpu time spent up to now is 149.2 secs Computing kpt #: 60 total cpu time spent up to now is 150.8 secs Computing kpt #: 61 total cpu time spent up to now is 152.3 secs Computing kpt #: 62 total cpu time spent up to now is 153.9 secs Computing kpt #: 63 total cpu time spent up to now is 155.4 secs Computing kpt #: 64 total cpu time spent up to now is 156.9 secs Computing kpt #: 65 total cpu time spent up to now is 158.4 secs Computing kpt #: 66 total cpu time spent up to now is 160.0 secs Computing kpt #: 67 total cpu time spent up to now is 161.4 secs Computing kpt #: 68 total cpu time spent up to now is 162.9 secs Computing kpt #: 69 total cpu time spent up to now is 164.5 secs Computing kpt #: 70 total cpu time spent up to now is 165.9 secs Computing kpt #: 71 total cpu time spent up to now is 167.4 secs Computing kpt #: 72 total cpu time spent up to now is 168.9 secs Computing kpt #: 73 total cpu time spent up to now is 170.4 secs Computing kpt #: 74 total cpu time spent up to now is 171.9 secs Computing kpt #: 75 total cpu time spent up to now is 173.5 secs Computing kpt #: 76 total cpu time spent up to now is 175.0 secs Computing kpt #: 77 total cpu time spent up to now is 176.7 secs Computing kpt #: 78 total cpu time spent up to now is 178.3 secs Computing kpt #: 79 total cpu time spent up to now is 179.8 secs Computing kpt #: 80 total cpu time spent up to now is 181.4 secs Computing kpt #: 81 total cpu time spent up to now is 182.9 secs Computing kpt #: 82 total cpu time spent up to now is 184.6 secs Computing kpt #: 83 total cpu time spent up to now is 186.4 secs Computing kpt #: 84 total cpu time spent up to now is 188.7 secs Computing kpt #: 85 total cpu time spent up to now is 190.8 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.0 secs Computing kpt #: 87 total cpu time spent up to now is 196.4 secs Computing kpt #: 88 total cpu time spent up to now is 198.8 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.0 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.2 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.3 secs Computing kpt #: 92 total cpu time spent up to now is 209.8 secs Computing kpt #: 93 total cpu time spent up to now is 211.3 secs Computing kpt #: 94 total cpu time spent up to now is 212.8 secs Computing kpt #: 95 total cpu time spent up to now is 214.2 secs Computing kpt #: 96 total cpu time spent up to now is 215.7 secs Computing kpt #: 97 total cpu time spent up to now is 217.7 secs Computing kpt #: 98 total cpu time spent up to now is 219.1 secs Computing kpt #: 99 total cpu time spent up to now is 220.6 secs Computing kpt #: 100 total cpu time spent up to now is 222.1 secs Computing kpt #: 101 total cpu time spent up to now is 223.6 secs Computing kpt #: 102 total cpu time spent up to now is 225.0 secs Computing kpt #: 103 total cpu time spent up to now is 226.5 secs Computing kpt #: 104 total cpu time spent up to now is 228.0 secs Computing kpt #: 105 total cpu time spent up to now is 229.5 secs Computing kpt #: 106 total cpu time spent up to now is 231.0 secs Computing kpt #: 107 total cpu time spent up to now is 232.4 secs Computing kpt #: 108 total cpu time spent up to now is 233.9 secs Computing kpt #: 109 total cpu time spent up to now is 235.4 secs Computing kpt #: 110 total cpu time spent up to now is 236.9 secs Computing kpt #: 111 total cpu time spent up to now is 238.4 secs Computing kpt #: 112 total cpu time spent up to now is 240.0 secs Computing kpt #: 113 total cpu time spent up to now is 241.5 secs Computing kpt #: 114 total cpu time spent up to now is 243.0 secs Computing kpt #: 115 total cpu time spent up to now is 244.6 secs Computing kpt #: 116 total cpu time spent up to now is 246.3 secs Computing kpt #: 117 total cpu time spent up to now is 247.9 secs Computing kpt #: 118 total cpu time spent up to now is 249.6 secs Computing kpt #: 119 total cpu time spent up to now is 251.4 secs Computing kpt #: 120 total cpu time spent up to now is 253.1 secs Computing kpt #: 121 total cpu time spent up to now is 254.8 secs Computing kpt #: 122 total cpu time spent up to now is 256.5 secs Computing kpt #: 123 total cpu time spent up to now is 258.3 secs Computing kpt #: 124 total cpu time spent up to now is 260.0 secs Computing kpt #: 125 total cpu time spent up to now is 261.6 secs Computing kpt #: 126 total cpu time spent up to now is 263.1 secs Computing kpt #: 127 total cpu time spent up to now is 264.7 secs Computing kpt #: 128 total cpu time spent up to now is 266.2 secs Computing kpt #: 129 total cpu time spent up to now is 267.7 secs Computing kpt #: 130 total cpu time spent up to now is 269.1 secs Computing kpt #: 131 total cpu time spent up to now is 270.7 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.8 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.9 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.1 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.4 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.5 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.6 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.8 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.1 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.3 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.5 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.8 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.0 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.3 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 315.4 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.6 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 321.8 secs Computing kpt #: 148 total cpu time spent up to now is 324.5 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.7 secs Computing kpt #: 150 total cpu time spent up to now is 330.6 secs Computing kpt #: 151 total cpu time spent up to now is 333.2 secs Computing kpt #: 152 total cpu time spent up to now is 335.8 secs Computing kpt #: 153 total cpu time spent up to now is 338.5 secs Computing kpt #: 154 total cpu time spent up to now is 341.0 secs Computing kpt #: 155 total cpu time spent up to now is 343.7 secs Computing kpt #: 156 total cpu time spent up to now is 346.3 secs Computing kpt #: 157 total cpu time spent up to now is 349.2 secs Computing kpt #: 158 total cpu time spent up to now is 351.8 secs Computing kpt #: 159 total cpu time spent up to now is 354.4 secs Computing kpt #: 160 total cpu time spent up to now is 356.9 secs Computing kpt #: 161 total cpu time spent up to now is 358.8 secs Computing kpt #: 162 total cpu time spent up to now is 361.9 secs Computing kpt #: 163 total cpu time spent up to now is 365.0 secs Computing kpt #: 164 total cpu time spent up to now is 368.2 secs Computing kpt #: 165 total cpu time spent up to now is 371.3 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.5 secs Computing kpt #: 167 total cpu time spent up to now is 377.5 secs Computing kpt #: 168 total cpu time spent up to now is 379.8 secs Computing kpt #: 169 total cpu time spent up to now is 382.1 secs Computing kpt #: 170 total cpu time spent up to now is 384.3 secs Computing kpt #: 171 total cpu time spent up to now is 386.1 secs Computing kpt #: 172 total cpu time spent up to now is 387.8 secs Computing kpt #: 173 total cpu time spent up to now is 389.3 secs Computing kpt #: 174 total cpu time spent up to now is 390.9 secs Computing kpt #: 175 total cpu time spent up to now is 392.6 secs Computing kpt #: 176 total cpu time spent up to now is 394.2 secs Computing kpt #: 177 total cpu time spent up to now is 395.8 secs Computing kpt #: 178 total cpu time spent up to now is 397.3 secs Computing kpt #: 179 total cpu time spent up to now is 398.8 secs Computing kpt #: 180 total cpu time spent up to now is 400.4 secs Computing kpt #: 181 total cpu time spent up to now is 401.8 secs Computing kpt #: 182 total cpu time spent up to now is 403.3 secs Computing kpt #: 183 total cpu time spent up to now is 405.0 secs Computing kpt #: 184 total cpu time spent up to now is 406.5 secs Computing kpt #: 185 total cpu time spent up to now is 408.0 secs Computing kpt #: 186 total cpu time spent up to now is 409.5 secs Computing kpt #: 187 total cpu time spent up to now is 411.0 secs Computing kpt #: 188 total cpu time spent up to now is 412.5 secs Computing kpt #: 189 total cpu time spent up to now is 414.0 secs Computing kpt #: 190 total cpu time spent up to now is 415.6 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 418.7 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 421.8 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 425.0 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.1 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 431.2 secs Computing kpt #: 196 total cpu time spent up to now is 433.0 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 437.8 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 440.9 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 444.1 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.3 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 450.5 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 453.6 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 456.7 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 459.8 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.1 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 466.4 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 469.5 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 472.6 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 475.7 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 478.8 secs Computing kpt #: 211 total cpu time spent up to now is 480.6 secs Computing kpt #: 212 total cpu time spent up to now is 482.4 secs Computing kpt #: 213 total cpu time spent up to now is 484.1 secs Computing kpt #: 214 total cpu time spent up to now is 485.7 secs Computing kpt #: 215 total cpu time spent up to now is 487.3 secs Computing kpt #: 216 total cpu time spent up to now is 488.8 secs Computing kpt #: 217 total cpu time spent up to now is 490.6 secs Computing kpt #: 218 total cpu time spent up to now is 492.2 secs Computing kpt #: 219 total cpu time spent up to now is 493.8 secs Computing kpt #: 220 total cpu time spent up to now is 495.4 secs Computing kpt #: 221 total cpu time spent up to now is 497.0 secs Computing kpt #: 222 total cpu time spent up to now is 498.7 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.9 secs Computing kpt #: 224 total cpu time spent up to now is 503.6 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 506.8 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 509.9 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.2 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 516.4 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 519.9 secs Computing kpt #: 230 total cpu time spent up to now is 521.7 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 524.8 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 528.1 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 531.4 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 534.6 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 537.8 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 541.1 secs Computing kpt #: 237 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 544.3 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 547.6 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 550.8 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 554.1 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 557.3 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 560.4 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 563.5 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.7 secs Computing kpt #: 245 total cpu time spent up to now is 568.3 secs Computing kpt #: 246 total cpu time spent up to now is 570.0 secs Computing kpt #: 247 total cpu time spent up to now is 571.8 secs Computing kpt #: 248 total cpu time spent up to now is 573.4 secs Computing kpt #: 249 total cpu time spent up to now is 576.6 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 579.8 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 583.0 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.3 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 589.5 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 592.8 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 596.0 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 599.2 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 602.5 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 605.7 secs Computing kpt #: 259 total cpu time spent up to now is 608.3 secs Computing kpt #: 260 total cpu time spent up to now is 611.3 secs Computing kpt #: 261 total cpu time spent up to now is 613.9 secs Computing kpt #: 262 total cpu time spent up to now is 616.6 secs Computing kpt #: 263 total cpu time spent up to now is 619.2 secs Computing kpt #: 264 total cpu time spent up to now is 621.9 secs Computing kpt #: 265 total cpu time spent up to now is 624.5 secs Computing kpt #: 266 total cpu time spent up to now is 627.3 secs Computing kpt #: 267 total cpu time spent up to now is 630.1 secs Computing kpt #: 268 total cpu time spent up to now is 633.3 secs Computing kpt #: 269 total cpu time spent up to now is 636.5 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 639.8 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 643.0 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 646.3 secs Computing kpt #: 273 total cpu time spent up to now is 647.8 secs ethr = 1.47E-08, avg # of iterations = 75.6 total cpu time spent up to now is 647.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5961 PWs) bands (ev): -16.7801 -16.7801 -16.3607 -16.3607 -14.4587 -14.4587 -14.0758 -14.0758 -13.8034 -13.8034 -13.6166 -13.6166 -13.4458 -13.4458 -13.3679 -13.3679 -6.3724 -6.3724 -5.0654 -5.0654 -3.0171 -3.0171 -1.8384 -1.8384 -1.7176 -1.7176 -1.6315 -1.6315 -1.4615 -1.4615 -1.4063 -1.4063 -0.0461 -0.0461 0.1718 0.1718 0.7641 0.7641 0.8532 0.8532 1.5365 1.5365 1.6123 1.6123 1.8593 1.8593 1.9488 1.9488 2.1929 2.1929 2.2761 2.2761 2.3874 2.3874 2.7889 2.7889 2.8530 2.8530 3.3783 3.3783 3.3801 3.3801 3.4684 3.4684 3.4882 3.4882 3.9060 3.9060 9.2287 9.2287 9.4553 9.4553 10.9412 10.9412 11.2245 11.2245 11.3171 11.3171 11.8326 11.8326 12.3902 12.3902 k = 0.0000 0.0000 0.0215 ( 5959 PWs) bands (ev): -16.7799 -16.7799 -16.3606 -16.3606 -14.4593 -14.4593 -14.0760 -14.0760 -13.8033 -13.8033 -13.6167 -13.6167 -13.4458 -13.4458 -13.3678 -13.3678 -6.3718 -6.3718 -5.0646 -5.0646 -3.0179 -3.0179 -1.8385 -1.8385 -1.7178 -1.7178 -1.6316 -1.6316 -1.4735 -1.4735 -1.3941 -1.3941 -0.0472 -0.0472 0.1712 0.1712 0.7641 0.7641 0.8527 0.8527 1.5363 1.5363 1.5998 1.5998 1.8713 1.8713 1.9492 1.9492 2.1932 2.1932 2.2774 2.2774 2.3872 2.3872 2.7892 2.7892 2.8520 2.8520 3.3782 3.3782 3.3805 3.3805 3.4704 3.4704 3.4895 3.4895 3.9061 3.9061 9.2288 9.2288 9.4567 9.4567 10.9388 10.9388 11.2134 11.2134 11.3202 11.3202 11.8317 11.8317 12.3966 12.3966 k = 0.0000 0.0000 0.0430 ( 5953 PWs) bands (ev): -16.7792 -16.7792 -16.3603 -16.3603 -14.4610 -14.4610 -14.0766 -14.0766 -13.8029 -13.8029 -13.6171 -13.6171 -13.4457 -13.4457 -13.3674 -13.3674 -6.3702 -6.3702 -5.0622 -5.0622 -3.0202 -3.0202 -1.8388 -1.8388 -1.7184 -1.7184 -1.6318 -1.6318 -1.4967 -1.4967 -1.3703 -1.3703 -0.0504 -0.0504 0.1697 0.1697 0.7642 0.7642 0.8514 0.8514 1.5354 1.5354 1.5687 1.5687 1.9009 1.9009 1.9508 1.9508 2.1944 2.1944 2.2814 2.2814 2.3866 2.3866 2.7898 2.7898 2.8492 2.8492 3.3781 3.3781 3.3819 3.3819 3.4763 3.4763 3.4934 3.4934 3.9065 3.9065 9.2292 9.2292 9.4608 9.4608 10.9315 10.9315 11.1850 11.1850 11.3254 11.3254 11.8293 11.8293 12.4154 12.4154 k = 0.0000 0.0000 0.0645 ( 5955 PWs) bands (ev): -16.7781 -16.7781 -16.3598 -16.3598 -14.4638 -14.4638 -14.0775 -14.0775 -13.8023 -13.8023 -13.6176 -13.6176 -13.4454 -13.4454 -13.3668 -13.3668 -6.3675 -6.3675 -5.0583 -5.0583 -3.0239 -3.0239 -1.8393 -1.8393 -1.7194 -1.7194 -1.6321 -1.6321 -1.5225 -1.5225 -1.3436 -1.3436 -0.0557 -0.0557 0.1671 0.1671 0.7643 0.7643 0.8491 0.8491 1.5234 1.5234 1.5387 1.5387 1.9329 1.9329 1.9591 1.9591 2.1962 2.1962 2.2882 2.2882 2.3856 2.3856 2.7909 2.7909 2.8446 2.8446 3.3782 3.3782 3.3845 3.3845 3.4856 3.4856 3.4997 3.4997 3.9071 3.9071 9.2298 9.2298 9.4676 9.4676 10.9193 10.9193 11.1456 11.1456 11.3269 11.3269 11.8258 11.8258 12.4452 12.4452 k = 0.0000 0.0000 0.0860 ( 5956 PWs) bands (ev): -16.7765 -16.7765 -16.3592 -16.3592 -14.4676 -14.4676 -14.0788 -14.0788 -13.8014 -13.8014 -13.6184 -13.6184 -13.4451 -13.4451 -13.3659 -13.3659 -6.3638 -6.3638 -5.0528 -5.0528 -3.0292 -3.0292 -1.8400 -1.8400 -1.7208 -1.7208 -1.6327 -1.6327 -1.5486 -1.5486 -1.3161 -1.3161 -0.0630 -0.0630 0.1635 0.1635 0.7645 0.7645 0.8457 0.8457 1.4802 1.4802 1.5358 1.5358 1.9440 1.9440 1.9910 1.9910 2.1987 2.1987 2.2980 2.2980 2.3842 2.3842 2.7922 2.7922 2.8383 2.8383 3.3788 3.3788 3.3889 3.3889 3.4978 3.4978 3.5086 3.5086 3.9080 3.9080 9.2307 9.2307 9.4769 9.4769 10.9020 10.9020 11.0991 11.0991 11.3227 11.3227 11.8221 11.8221 12.4844 12.4844 k = 0.0000 0.0000 0.1075 ( 5952 PWs) bands (ev): -16.7745 -16.7745 -16.3583 -16.3583 -14.4725 -14.4725 -14.0805 -14.0805 -13.8004 -13.8004 -13.6194 -13.6194 -13.4448 -13.4448 -13.3648 -13.3648 -6.3590 -6.3590 -5.0458 -5.0458 -3.0359 -3.0359 -1.8411 -1.8411 -1.7225 -1.7225 -1.6337 -1.6337 -1.5742 -1.5742 -1.2883 -1.2883 -0.0721 -0.0721 0.1589 0.1589 0.7647 0.7647 0.8409 0.8409 1.4347 1.4347 1.5346 1.5346 1.9465 1.9465 2.0306 2.0306 2.2019 2.2019 2.3109 2.3109 2.3825 2.3825 2.7938 2.7938 2.8305 2.8305 3.3798 3.3798 3.3958 3.3958 3.5117 3.5117 3.5206 3.5206 3.9091 3.9091 9.2318 9.2318 9.4885 9.4885 10.8793 10.8793 11.0482 11.0482 11.3120 11.3120 11.8184 11.8184 12.5311 12.5311 k = 0.0000 0.0000 0.1290 ( 5944 PWs) bands (ev): -16.7721 -16.7721 -16.3572 -16.3572 -14.4784 -14.4784 -14.0825 -14.0825 -13.7990 -13.7990 -13.6206 -13.6206 -13.4443 -13.4443 -13.3635 -13.3635 -6.3532 -6.3532 -5.0375 -5.0375 -3.0440 -3.0440 -1.8424 -1.8424 -1.7246 -1.7246 -1.6357 -1.6357 -1.5983 -1.5983 -1.2606 -1.2606 -0.0829 -0.0829 0.1535 0.1535 0.7648 0.7648 0.8346 0.8346 1.3901 1.3901 1.5334 1.5334 1.9479 1.9479 2.0679 2.0679 2.2057 2.2057 2.3269 2.3269 2.3808 2.3808 2.7953 2.7953 2.8215 2.8215 3.3814 3.3814 3.4058 3.4058 3.5261 3.5261 3.5364 3.5364 3.9104 3.9104 9.2331 9.2331 9.5023 9.5023 10.8505 10.8505 10.9954 10.9954 11.2952 11.2952 11.8151 11.8151 12.5836 12.5836 k = 0.0000 0.0000 0.1505 ( 5944 PWs) bands (ev): -16.7693 -16.7693 -16.3560 -16.3560 -14.4852 -14.4852 -14.0849 -14.0849 -13.7975 -13.7975 -13.6221 -13.6221 -13.4438 -13.4438 -13.3620 -13.3620 -6.3466 -6.3466 -5.0278 -5.0278 -3.0534 -3.0534 -1.8442 -1.8442 -1.7270 -1.7270 -1.6422 -1.6422 -1.6172 -1.6172 -1.2331 -1.2331 -0.0952 -0.0952 0.1473 0.1473 0.7646 0.7646 0.8267 0.8267 1.3480 1.3480 1.5322 1.5322 1.9490 1.9490 2.1005 2.1005 2.2104 2.2104 2.3452 2.3452 2.3795 2.3795 2.7963 2.7963 2.8117 2.8117 3.3837 3.3837 3.4196 3.4196 3.5407 3.5407 3.5559 3.5559 3.9121 3.9121 9.2346 9.2346 9.5180 9.5180 10.8142 10.8142 10.9437 10.9437 11.2726 11.2726 11.8122 11.8122 12.6405 12.6405 k = 0.0000 0.0000 0.1720 ( 5938 PWs) bands (ev): -16.7661 -16.7661 -16.3547 -16.3547 -14.4928 -14.4928 -14.0875 -14.0875 -13.7957 -13.7957 -13.6237 -13.6237 -13.4432 -13.4432 -13.3603 -13.3603 -6.3390 -6.3390 -5.0169 -5.0169 -3.0641 -3.0641 -1.8464 -1.8464 -1.7299 -1.7299 -1.6587 -1.6587 -1.6252 -1.6252 -1.2060 -1.2060 -0.1088 -0.1088 0.1403 0.1403 0.7638 0.7638 0.8174 0.8174 1.3091 1.3091 1.5310 1.5310 1.9499 1.9499 2.1269 2.1269 2.2165 2.2165 2.3618 2.3618 2.3819 2.3819 2.7944 2.7944 2.8038 2.8038 3.3868 3.3868 3.4376 3.4376 3.5561 3.5561 3.5781 3.5781 3.9140 3.9140 9.2360 9.2360 9.5353 9.5353 10.7693 10.7693 10.8955 10.8955 11.2448 11.2448 11.8096 11.8096 12.7007 12.7007 k = 0.0000 0.0000 0.1936 ( 5938 PWs) bands (ev): -16.7626 -16.7626 -16.3532 -16.3532 -14.5011 -14.5011 -14.0905 -14.0905 -13.7937 -13.7937 -13.6256 -13.6256 -13.4425 -13.4425 -13.3585 -13.3585 -6.3306 -6.3306 -5.0048 -5.0048 -3.0759 -3.0759 -1.8491 -1.8491 -1.7334 -1.7334 -1.6798 -1.6798 -1.6272 -1.6272 -1.1793 -1.1793 -0.1235 -0.1235 0.1327 0.1327 0.7613 0.7613 0.8073 0.8073 1.2741 1.2741 1.5298 1.5298 1.9509 1.9509 2.1463 2.1463 2.2249 2.2249 2.3669 2.3669 2.3967 2.3967 2.7851 2.7851 2.8024 2.8024 3.3907 3.3907 3.4602 3.4602 3.5724 3.5724 3.6025 3.6025 3.9162 3.9162 9.2373 9.2373 9.5541 9.5541 10.7162 10.7162 10.8519 10.8519 11.2125 11.2125 11.8072 11.8072 12.7630 12.7630 k = 0.0000 0.0000 0.2151 ( 5942 PWs) bands (ev): -16.7587 -16.7587 -16.3516 -16.3516 -14.5101 -14.5101 -14.0937 -14.0937 -13.7915 -13.7915 -13.6276 -13.6276 -13.4418 -13.4418 -13.3566 -13.3566 -6.3214 -6.3214 -4.9917 -4.9917 -3.0888 -3.0888 -1.8524 -1.8524 -1.7382 -1.7382 -1.7007 -1.7007 -1.6275 -1.6275 -1.1531 -1.1531 -0.1391 -0.1391 0.1245 0.1245 0.7551 0.7551 0.7985 0.7985 1.2433 1.2433 1.5287 1.5287 1.9517 1.9517 2.1586 2.1586 2.2360 2.2360 2.3656 2.3656 2.4173 2.4173 2.7734 2.7734 2.8028 2.8028 3.3954 3.3954 3.4877 3.4877 3.5896 3.5896 3.6290 3.6290 3.9188 3.9188 9.2383 9.2383 9.5739 9.5739 10.6571 10.6571 10.8121 10.8121 11.1762 11.1762 11.8048 11.8048 12.8266 12.8266 k = 0.0000 0.0000 0.2366 ( 5944 PWs) bands (ev): -16.7546 -16.7546 -16.3499 -16.3499 -14.5196 -14.5196 -14.0971 -14.0971 -13.7891 -13.7891 -13.6299 -13.6299 -13.4411 -13.4411 -13.3546 -13.3546 -6.3116 -6.3116 -4.9776 -4.9776 -3.1026 -3.1026 -1.8562 -1.8562 -1.7455 -1.7455 -1.7187 -1.7187 -1.6268 -1.6268 -1.1276 -1.1276 -0.1554 -0.1554 0.1158 0.1158 0.7428 0.7428 0.7934 0.7934 1.2170 1.2170 1.5277 1.5277 1.9525 1.9525 2.1646 2.1646 2.2495 2.2495 2.3630 2.3630 2.4372 2.4372 2.7613 2.7613 2.8032 2.8032 3.4009 3.4009 3.5199 3.5199 3.6075 3.6075 3.6573 3.6573 3.9217 3.9217 9.2386 9.2386 9.5946 9.5946 10.5948 10.5948 10.7745 10.7745 11.1366 11.1366 11.8022 11.8022 12.8909 12.8909 k = 0.0000 0.0000 0.2581 ( 5945 PWs) bands (ev): -16.7502 -16.7502 -16.3481 -16.3481 -14.5296 -14.5296 -14.1008 -14.1008 -13.7865 -13.7865 -13.6323 -13.6323 -13.4403 -13.4403 -13.3525 -13.3525 -6.3012 -6.3012 -4.9628 -4.9628 -3.1172 -3.1172 -1.8607 -1.8607 -1.7578 -1.7578 -1.7313 -1.7313 -1.6256 -1.6256 -1.1028 -1.1028 -0.1721 -0.1721 0.1068 0.1068 0.7247 0.7247 0.7922 0.7922 1.1948 1.1948 1.5268 1.5268 1.9532 1.9532 2.1659 2.1659 2.2646 2.2646 2.3601 2.3601 2.4543 2.4543 2.7496 2.7496 2.8031 2.8031 3.4072 3.4072 3.5566 3.5566 3.6258 3.6258 3.6873 3.6873 3.9251 3.9251 9.2380 9.2380 9.6157 9.6157 10.5315 10.5315 10.7383 10.7383 11.0941 11.0941 11.7994 11.7994 12.9551 12.9551 k = 0.0000 0.0000 0.2796 ( 5938 PWs) bands (ev): -16.7457 -16.7457 -16.3463 -16.3463 -14.5399 -14.5399 -14.1046 -14.1046 -13.7837 -13.7837 -13.6350 -13.6350 -13.4395 -13.4395 -13.3503 -13.3503 -6.2903 -6.2903 -4.9474 -4.9474 -3.1325 -3.1325 -1.8659 -1.8659 -1.7738 -1.7738 -1.7392 -1.7392 -1.6238 -1.6238 -1.0788 -1.0788 -0.1891 -0.1891 0.0976 0.0976 0.7024 0.7024 0.7936 0.7936 1.1765 1.1765 1.5261 1.5261 1.9538 1.9538 2.1637 2.1637 2.2804 2.2804 2.3571 2.3571 2.4677 2.4677 2.7387 2.7387 2.8026 2.8026 3.4143 3.4143 3.5974 3.5974 3.6445 3.6445 3.7192 3.7192 3.9289 3.9289 9.2361 9.2361 9.6370 9.6370 10.4689 10.4689 10.7030 10.7030 11.0494 11.0494 11.7963 11.7963 13.0187 13.0187 k = 0.0000 0.0000 0.3011 ( 5934 PWs) bands (ev): -16.7409 -16.7409 -16.3444 -16.3444 -14.5504 -14.5504 -14.1086 -14.1086 -13.7807 -13.7807 -13.6378 -13.6378 -13.4387 -13.4387 -13.3481 -13.3481 -6.2791 -6.2791 -4.9314 -4.9314 -3.1483 -3.1483 -1.8720 -1.8720 -1.7905 -1.7905 -1.7455 -1.7455 -1.6214 -1.6214 -1.0557 -1.0557 -0.2062 -0.2062 0.0882 0.0882 0.6776 0.6776 0.7966 0.7966 1.1617 1.1617 1.5256 1.5256 1.9542 1.9542 2.1588 2.1588 2.2963 2.2963 2.3541 2.3541 2.4769 2.4769 2.7289 2.7289 2.8016 2.8016 3.4220 3.4220 3.6411 3.6411 3.6634 3.6634 3.7528 3.7528 3.9333 3.9333 9.2324 9.2324 9.6580 9.6580 10.4085 10.4085 10.6684 10.6684 11.0029 11.0029 11.7928 11.7928 13.0810 13.0810 k = 0.0000 0.0000 0.3226 ( 5931 PWs) bands (ev): -16.7361 -16.7361 -16.3425 -16.3425 -14.5611 -14.5611 -14.1127 -14.1127 -13.7775 -13.7775 -13.6407 -13.6407 -13.4378 -13.4378 -13.3460 -13.3460 -6.2675 -6.2675 -4.9152 -4.9152 -3.1645 -3.1645 -1.8791 -1.8791 -1.8061 -1.8061 -1.7516 -1.7516 -1.6186 -1.6186 -1.0335 -1.0335 -0.2232 -0.2232 0.0787 0.0787 0.6514 0.6514 0.8007 0.8007 1.1496 1.1496 1.5253 1.5253 1.9546 1.9546 2.1516 2.1516 2.3120 2.3120 2.3512 2.3512 2.4819 2.4819 2.7204 2.7204 2.8000 2.8000 3.4303 3.4303 3.6789 3.6789 3.6902 3.6902 3.7885 3.7885 3.9383 3.9383 9.2267 9.2267 9.6784 9.6784 10.3515 10.3515 10.6346 10.6346 10.9551 10.9551 11.7891 11.7891 13.1416 13.1416 k = 0.0000 0.0000 0.3441 ( 5927 PWs) bands (ev): -16.7312 -16.7312 -16.3406 -16.3406 -14.5717 -14.5717 -14.1168 -14.1168 -13.7742 -13.7742 -13.6439 -13.6439 -13.4370 -13.4370 -13.3438 -13.3438 -6.2557 -6.2557 -4.8988 -4.8988 -3.1809 -3.1809 -1.8873 -1.8873 -1.8199 -1.8199 -1.7578 -1.7578 -1.6154 -1.6154 -1.0124 -1.0124 -0.2399 -0.2399 0.0693 0.0693 0.6245 0.6245 0.8058 0.8058 1.1399 1.1399 1.5252 1.5252 1.9548 1.9548 2.1425 2.1425 2.3270 2.3270 2.3487 2.3487 2.4834 2.4834 2.7132 2.7132 2.7979 2.7979 3.4390 3.4390 3.6979 3.6979 3.7355 3.7355 3.8267 3.8267 3.9440 3.9440 9.2185 9.2185 9.6976 9.6976 10.2990 10.2990 10.6019 10.6019 10.9066 10.9066 11.7850 11.7850 13.1999 13.1999 k = 0.0000 0.0000 0.3656 ( 5926 PWs) bands (ev): -16.7262 -16.7262 -16.3387 -16.3387 -14.5823 -14.5823 -14.1209 -14.1209 -13.7707 -13.7707 -13.6472 -13.6472 -13.4362 -13.4362 -13.3417 -13.3417 -6.2439 -6.2439 -4.8823 -4.8823 -3.1973 -3.1973 -1.8967 -1.8967 -1.8317 -1.8317 -1.7643 -1.7643 -1.6118 -1.6118 -0.9923 -0.9923 -0.2562 -0.2562 0.0601 0.0601 0.5976 0.5976 0.8118 0.8118 1.1319 1.1319 1.5254 1.5254 1.9549 1.9549 2.1319 2.1319 2.3390 2.3390 2.3484 2.3484 2.4821 2.4821 2.7071 2.7071 2.7954 2.7954 3.4480 3.4480 3.7149 3.7149 3.7808 3.7808 3.8680 3.8680 3.9507 3.9507 9.2073 9.2073 9.7154 9.7154 10.2519 10.2519 10.5705 10.5705 10.8577 10.8577 11.7808 11.7808 13.2554 13.2554 k = 0.0000 0.0000 0.3871 ( 5935 PWs) bands (ev): -16.7213 -16.7213 -16.3369 -16.3369 -14.5927 -14.5927 -14.1250 -14.1250 -13.7671 -13.7671 -13.6506 -13.6506 -13.4354 -13.4354 -13.3397 -13.3397 -6.2322 -6.2322 -4.8661 -4.8661 -3.2135 -3.2135 -1.9071 -1.9071 -1.8413 -1.8413 -1.7711 -1.7711 -1.6079 -1.6079 -0.9734 -0.9734 -0.2718 -0.2718 0.0510 0.0510 0.5713 0.5713 0.8185 0.8185 1.1253 1.1253 1.5257 1.5257 1.9548 1.9548 2.1198 2.1198 2.3408 2.3408 2.3570 2.3570 2.4794 2.4794 2.7018 2.7018 2.7925 2.7925 3.4572 3.4572 3.7307 3.7307 3.8234 3.8234 3.9125 3.9125 3.9585 3.9585 9.1931 9.1931 9.7312 9.7312 10.2111 10.2111 10.5407 10.5407 10.8091 10.8091 11.7763 11.7763 13.3077 13.3077 k = 0.0000 0.0000 0.4086 ( 5929 PWs) bands (ev): -16.7165 -16.7165 -16.3351 -16.3351 -14.6027 -14.6027 -14.1290 -14.1290 -13.7633 -13.7633 -13.6542 -13.6542 -13.4346 -13.4346 -13.3377 -13.3377 -6.2207 -6.2207 -4.8502 -4.8502 -3.2294 -3.2294 -1.9181 -1.9181 -1.8490 -1.8490 -1.7782 -1.7782 -1.6039 -1.6039 -0.9556 -0.9556 -0.2868 -0.2868 0.0424 0.0424 0.5458 0.5458 0.8259 0.8259 1.1198 1.1198 1.5262 1.5262 1.9546 1.9546 2.1068 2.1068 2.3389 2.3389 2.3670 2.3670 2.4769 2.4769 2.6969 2.6969 2.7892 2.7892 3.4664 3.4664 3.7452 3.7452 3.8621 3.8621 3.9556 3.9556 3.9719 3.9719 9.1757 9.1757 9.7449 9.7449 10.1771 10.1771 10.5126 10.5126 10.7611 10.7611 11.7718 11.7718 13.3562 13.3562 k = 0.0000 0.0000 0.4301 ( 5925 PWs) bands (ev): -16.7118 -16.7118 -16.3334 -16.3334 -14.6124 -14.6124 -14.1329 -14.1329 -13.7595 -13.7595 -13.6579 -13.6579 -13.4339 -13.4339 -13.3358 -13.3358 -6.2094 -6.2094 -4.8348 -4.8348 -3.2449 -3.2449 -1.9293 -1.9293 -1.8551 -1.8551 -1.7855 -1.7855 -1.5997 -1.5997 -0.9391 -0.9391 -0.3009 -0.3009 0.0341 0.0341 0.5216 0.5216 0.8339 0.8339 1.1149 1.1149 1.5268 1.5268 1.9544 1.9544 2.0931 2.0931 2.3368 2.3368 2.3738 2.3738 2.4764 2.4764 2.6922 2.6922 2.7858 2.7858 3.4754 3.4754 3.7583 3.7583 3.8971 3.8971 3.9729 3.9729 4.0142 4.0142 9.1554 9.1554 9.7560 9.7560 10.1502 10.1502 10.4865 10.4865 10.7143 10.7143 11.7673 11.7673 13.4008 13.4008 k = 0.0000 0.0000 0.4516 ( 5922 PWs) bands (ev): -16.7073 -16.7073 -16.3318 -16.3318 -14.6216 -14.6216 -14.1366 -14.1366 -13.7555 -13.7555 -13.6617 -13.6617 -13.4332 -13.4332 -13.3341 -13.3341 -6.1987 -6.1987 -4.8201 -4.8201 -3.2596 -3.2596 -1.9402 -1.9402 -1.8598 -1.8598 -1.7930 -1.7930 -1.5956 -1.5956 -0.9239 -0.9239 -0.3141 -0.3141 0.0263 0.0263 0.4989 0.4989 0.8424 0.8424 1.1106 1.1106 1.5276 1.5276 1.9540 1.9540 2.0789 2.0789 2.3347 2.3347 2.3763 2.3763 2.4795 2.4795 2.6873 2.6873 2.7823 2.7823 3.4842 3.4842 3.7698 3.7698 3.9280 3.9280 3.9844 3.9844 4.0640 4.0640 9.1324 9.1324 9.7647 9.7647 10.1301 10.1301 10.4627 10.4627 10.6692 10.6692 11.7628 11.7628 13.4409 13.4409 k = 0.0000 0.0000 0.4731 ( 5919 PWs) bands (ev): -16.7031 -16.7031 -16.3303 -16.3303 -14.6302 -14.6302 -14.1401 -14.1401 -13.7515 -13.7515 -13.6656 -13.6656 -13.4325 -13.4325 -13.3324 -13.3324 -6.1885 -6.1885 -4.8062 -4.8062 -3.2735 -3.2735 -1.9507 -1.9507 -1.8635 -1.8635 -1.8006 -1.8006 -1.5916 -1.5916 -0.9101 -0.9101 -0.3262 -0.3262 0.0191 0.0191 0.4779 0.4779 0.8512 0.8512 1.1066 1.1066 1.5284 1.5284 1.9536 1.9536 2.0647 2.0647 2.3328 2.3328 2.3744 2.3744 2.4865 2.4865 2.6820 2.6820 2.7787 2.7787 3.4927 3.4927 3.7799 3.7799 3.9545 3.9545 3.9975 3.9975 4.1133 4.1133 9.1075 9.1075 9.7711 9.7711 10.1163 10.1163 10.4411 10.4411 10.6263 10.6263 11.7585 11.7585 13.4765 13.4766 k = 0.0000 0.0000 0.4946 ( 5917 PWs) bands (ev): -16.6991 -16.6991 -16.3289 -16.3289 -14.6381 -14.6381 -14.1433 -14.1433 -13.7474 -13.7474 -13.6695 -13.6695 -13.4319 -13.4319 -13.3310 -13.3310 -6.1789 -6.1789 -4.7934 -4.7934 -3.2865 -3.2865 -1.9604 -1.9604 -1.8662 -1.8662 -1.8081 -1.8081 -1.5877 -1.5877 -0.8976 -0.8976 -0.3372 -0.3372 0.0125 0.0125 0.4588 0.4588 0.8601 0.8601 1.1029 1.1029 1.5293 1.5293 1.9531 1.9531 2.0508 2.0508 2.3310 2.3310 2.3695 2.3695 2.4965 2.4965 2.6762 2.6762 2.7752 2.7752 3.5006 3.5006 3.7884 3.7884 3.9754 3.9754 4.0134 4.0134 4.1605 4.1605 9.0816 9.0816 9.7756 9.7756 10.1079 10.1079 10.4218 10.4218 10.5860 10.5860 11.7544 11.7544 13.5073 13.5073 k = 0.0000 0.0000 0.5161 ( 5921 PWs) bands (ev): -16.6954 -16.6954 -16.3276 -16.3276 -14.6453 -14.6453 -14.1463 -14.1463 -13.7433 -13.7433 -13.6735 -13.6735 -13.4314 -13.4314 -13.3296 -13.3296 -6.1702 -6.1702 -4.7816 -4.7816 -3.2983 -3.2983 -1.9692 -1.9692 -1.8681 -1.8681 -1.8156 -1.8156 -1.5842 -1.5842 -0.8865 -0.8865 -0.3471 -0.3471 0.0065 0.0065 0.4417 0.4417 0.8689 0.8689 1.0994 1.0994 1.5302 1.5302 1.9526 1.9526 2.0376 2.0376 2.3294 2.3294 2.3629 2.3629 2.5086 2.5086 2.6699 2.6699 2.7719 2.7719 3.5078 3.5078 3.7956 3.7956 3.9907 3.9907 4.0318 4.0318 4.2045 4.2045 9.0556 9.0556 9.7786 9.7786 10.1037 10.1037 10.4046 10.4046 10.5491 10.5491 11.7507 11.7507 13.5333 13.5339 k = 0.0000 0.0000 0.5377 ( 5927 PWs) bands (ev): -16.6922 -16.6922 -16.3265 -16.3265 -14.6517 -14.6517 -14.1489 -14.1489 -13.7392 -13.7392 -13.6774 -13.6774 -13.4309 -13.4309 -13.3285 -13.3285 -6.1624 -6.1624 -4.7712 -4.7712 -3.3088 -3.3088 -1.9770 -1.9770 -1.8691 -1.8691 -1.8228 -1.8228 -1.5809 -1.5809 -0.8768 -0.8768 -0.3557 -0.3557 0.0013 0.0013 0.4268 0.4268 0.8775 0.8775 1.0960 1.0960 1.5311 1.5311 1.9521 1.9521 2.0253 2.0253 2.3278 2.3278 2.3557 2.3557 2.5217 2.5217 2.6628 2.6628 2.7689 2.7689 3.5143 3.5143 3.8015 3.8015 4.0023 4.0023 4.0506 4.0506 4.2445 4.2445 9.0306 9.0306 9.7805 9.7805 10.1029 10.1029 10.3895 10.3895 10.5160 10.5160 11.7472 11.7472 13.5523 13.5527 k = 0.0000 0.0000 0.5592 ( 5923 PWs) bands (ev): -16.6894 -16.6894 -16.3256 -16.3256 -14.6572 -14.6572 -14.1512 -14.1512 -13.7352 -13.7352 -13.6814 -13.6814 -13.4305 -13.4305 -13.3275 -13.3275 -6.1557 -6.1557 -4.7621 -4.7621 -3.3179 -3.3179 -1.9837 -1.9837 -1.8693 -1.8693 -1.8298 -1.8298 -1.5781 -1.5781 -0.8686 -0.8686 -0.3630 -0.3630 -0.0032 -0.0032 0.4140 0.4140 0.8855 0.8855 1.0929 1.0929 1.5320 1.5320 1.9516 1.9516 2.0142 2.0142 2.3264 2.3264 2.3489 2.3489 2.5353 2.5353 2.6550 2.6550 2.7662 2.7662 3.5200 3.5200 3.8062 3.8062 4.0116 4.0116 4.0680 4.0680 4.2796 4.2796 9.0074 9.0074 9.7816 9.7816 10.1042 10.1042 10.3761 10.3761 10.4876 10.4876 11.7442 11.7442 13.5656 13.5660 k = 0.0000 0.0000 0.5807 ( 5913 PWs) bands (ev): -16.6870 -16.6870 -16.3248 -16.3248 -14.6618 -14.6618 -14.1531 -14.1531 -13.7313 -13.7313 -13.6851 -13.6851 -13.4301 -13.4301 -13.3266 -13.3266 -6.1500 -6.1500 -4.7546 -4.7546 -3.3255 -3.3255 -1.9892 -1.9892 -1.8687 -1.8687 -1.8363 -1.8363 -1.5756 -1.5756 -0.8619 -0.8619 -0.3691 -0.3691 -0.0069 -0.0069 0.4034 0.4034 0.8927 0.8927 1.0900 1.0900 1.5327 1.5327 1.9512 1.9512 2.0048 2.0048 2.3250 2.3250 2.3430 2.3430 2.5489 2.5489 2.6466 2.6466 2.7639 2.7639 3.5247 3.5247 3.8099 3.8099 4.0190 4.0190 4.0829 4.0829 4.3092 4.3092 8.9872 8.9872 9.7823 9.7823 10.1070 10.1070 10.3641 10.3641 10.4643 10.4643 11.7417 11.7417 13.5714 13.5715 k = 0.0000 0.0000 0.6022 ( 5911 PWs) bands (ev): -16.6851 -16.6851 -16.3242 -16.3242 -14.6654 -14.6654 -14.1546 -14.1546 -13.7278 -13.7278 -13.6886 -13.6886 -13.4299 -13.4299 -13.3260 -13.3260 -6.1455 -6.1455 -4.7486 -4.7486 -3.3315 -3.3315 -1.9936 -1.9936 -1.8674 -1.8674 -1.8424 -1.8424 -1.5737 -1.5737 -0.8566 -0.8566 -0.3738 -0.3738 -0.0099 -0.0099 0.3952 0.3952 0.8987 0.8987 1.0876 1.0876 1.5333 1.5333 1.9508 1.9508 1.9971 1.9971 2.3235 2.3235 2.3384 2.3384 2.5622 2.5622 2.6376 2.6376 2.7620 2.7620 3.5285 3.5285 3.8127 3.8127 4.0249 4.0249 4.0950 4.0950 4.3328 4.3328 8.9705 8.9705 9.7827 9.7827 10.1103 10.1103 10.3536 10.3536 10.4465 10.4465 11.7397 11.7397 13.5739 13.5740 k = 0.0000 0.0000 0.6237 ( 5907 PWs) bands (ev): -16.6838 -16.6838 -16.3237 -16.3237 -14.6680 -14.6680 -14.1557 -14.1557 -13.7247 -13.7247 -13.6916 -13.6916 -13.4297 -13.4297 -13.3255 -13.3255 -6.1422 -6.1422 -4.7443 -4.7443 -3.3358 -3.3358 -1.9967 -1.9967 -1.8654 -1.8654 -1.8478 -1.8478 -1.5723 -1.5723 -0.8529 -0.8529 -0.3772 -0.3772 -0.0120 -0.0120 0.3893 0.3893 0.9032 0.9032 1.0857 1.0857 1.5338 1.5338 1.9506 1.9506 1.9915 1.9915 2.3222 2.3222 2.3353 2.3353 2.5747 2.5747 2.6282 2.6282 2.7606 2.7606 3.5312 3.5312 3.8146 3.8146 4.0291 4.0291 4.1038 4.1038 4.3500 4.3500 8.9582 8.9582 9.7829 9.7829 10.1134 10.1134 10.3451 10.3451 10.4343 10.4343 11.7382 11.7382 13.5748 13.5748 k = 0.0000 0.0000 0.6452 ( 5909 PWs) bands (ev): -16.6829 -16.6829 -16.3235 -16.3235 -14.6695 -14.6695 -14.1564 -14.1564 -13.7226 -13.7226 -13.6937 -13.6937 -13.4296 -13.4296 -13.3252 -13.3252 -6.1403 -6.1403 -4.7417 -4.7417 -3.3384 -3.3384 -1.9986 -1.9986 -1.8631 -1.8631 -1.8522 -1.8522 -1.5715 -1.5715 -0.8506 -0.8506 -0.3792 -0.3792 -0.0132 -0.0132 0.3857 0.3857 0.9060 0.9060 1.0845 1.0845 1.5340 1.5340 1.9504 1.9504 1.9881 1.9881 2.3212 2.3212 2.3336 2.3336 2.5854 2.5854 2.6193 2.6193 2.7598 2.7598 3.5329 3.5329 3.8158 3.8158 4.0316 4.0316 4.1091 4.1091 4.3605 4.3605 8.9506 8.9506 9.7830 9.7830 10.1156 10.1156 10.3394 10.3394 10.4272 10.4272 11.7373 11.7373 13.5752 13.5752 k = 0.0000 0.0000 0.6667 ( 5906 PWs) bands (ev): -16.6827 -16.6827 -16.3234 -16.3234 -14.6701 -14.6701 -14.1566 -14.1566 -13.7218 -13.7218 -13.6945 -13.6945 -13.4295 -13.4295 -13.3251 -13.3251 -6.1396 -6.1396 -4.7408 -4.7408 -3.3393 -3.3393 -1.9992 -1.9992 -1.8616 -1.8616 -1.8544 -1.8544 -1.5712 -1.5712 -0.8498 -0.8498 -0.3799 -0.3799 -0.0137 -0.0137 0.3846 0.3846 0.9070 0.9070 1.0841 1.0841 1.5341 1.5341 1.9503 1.9503 1.9869 1.9869 2.3208 2.3208 2.3330 2.3330 2.5908 2.5908 2.6147 2.6147 2.7595 2.7595 3.5335 3.5335 3.8162 3.8162 4.0325 4.0325 4.1109 4.1109 4.3640 4.3640 8.9480 8.9480 9.7830 9.7830 10.1164 10.1164 10.3374 10.3374 10.4249 10.4249 11.7371 11.7371 13.5754 13.5754 k = 0.0000 0.0000 0.6667 ( 5906 PWs) bands (ev): -16.6827 -16.6827 -16.3234 -16.3234 -14.6701 -14.6701 -14.1566 -14.1566 -13.7218 -13.7218 -13.6945 -13.6945 -13.4295 -13.4295 -13.3251 -13.3251 -6.1396 -6.1396 -4.7408 -4.7408 -3.3393 -3.3393 -1.9992 -1.9992 -1.8616 -1.8616 -1.8544 -1.8544 -1.5712 -1.5712 -0.8498 -0.8498 -0.3799 -0.3799 -0.0137 -0.0137 0.3846 0.3846 0.9070 0.9070 1.0841 1.0841 1.5341 1.5341 1.9503 1.9503 1.9869 1.9869 2.3208 2.3208 2.3330 2.3330 2.5908 2.5908 2.6147 2.6147 2.7595 2.7595 3.5335 3.5335 3.8162 3.8162 4.0325 4.0325 4.1109 4.1109 4.3640 4.3640 8.9480 8.9480 9.7830 9.7830 10.1164 10.1164 10.3374 10.3374 10.4249 10.4249 11.7371 11.7371 13.5754 13.5754 k = 0.0000 0.0215 0.6667 ( 5904 PWs) bands (ev): -16.6822 -16.6822 -16.3232 -16.3232 -14.6700 -14.6700 -14.1567 -14.1567 -13.7219 -13.7219 -13.6944 -13.6944 -13.4304 -13.4304 -13.3255 -13.3255 -6.1386 -6.1386 -4.7405 -4.7405 -3.3404 -3.3404 -1.9993 -1.9993 -1.8756 -1.8756 -1.8403 -1.8403 -1.5694 -1.5694 -0.8502 -0.8502 -0.3803 -0.3803 -0.0131 -0.0131 0.3871 0.3871 0.9059 0.9059 1.0842 1.0842 1.5313 1.5313 1.9522 1.9522 1.9874 1.9874 2.3212 2.3212 2.3340 2.3340 2.5889 2.5889 2.6131 2.6131 2.7602 2.7602 3.5322 3.5322 3.8175 3.8175 4.0325 4.0325 4.1102 4.1102 4.3630 4.3630 8.9498 8.9498 9.7823 9.7823 10.1145 10.1145 10.3398 10.3398 10.4259 10.4259 11.7358 11.7358 13.5768 13.5769 k = 0.0000 0.0430 0.6667 ( 5912 PWs) bands (ev): -16.6809 -16.6809 -16.3228 -16.3228 -14.6700 -14.6700 -14.1570 -14.1570 -13.7220 -13.7220 -13.6942 -13.6942 -13.4330 -13.4330 -13.3267 -13.3267 -6.1357 -6.1357 -4.7398 -4.7398 -3.3438 -3.3438 -1.9996 -1.9996 -1.8928 -1.8928 -1.8230 -1.8230 -1.5640 -1.5640 -0.8512 -0.8512 -0.3812 -0.3812 -0.0114 -0.0114 0.3947 0.3947 0.9025 0.9025 1.0844 1.0844 1.5230 1.5230 1.9576 1.9576 1.9889 1.9889 2.3213 2.3213 2.3376 2.3376 2.5832 2.5832 2.6083 2.6083 2.7622 2.7622 3.5285 3.5285 3.8214 3.8214 4.0324 4.0324 4.1083 4.1083 4.3600 4.3600 8.9549 8.9549 9.7802 9.7802 10.1091 10.1091 10.3464 10.3464 10.4289 10.4289 11.7321 11.7321 13.5809 13.5810 k = 0.0000 0.0645 0.6667 ( 5914 PWs) bands (ev): -16.6787 -16.6787 -16.3220 -16.3220 -14.6699 -14.6699 -14.1574 -14.1574 -13.7222 -13.7222 -13.6939 -13.6939 -13.4373 -13.4373 -13.3286 -13.3286 -6.1308 -6.1308 -4.7386 -4.7386 -3.3492 -3.3492 -2.0003 -2.0003 -1.9100 -1.9100 -1.8050 -1.8050 -1.5550 -1.5550 -0.8529 -0.8529 -0.3825 -0.3825 -0.0087 -0.0087 0.4070 0.4070 0.8969 0.8969 1.0847 1.0847 1.5097 1.5097 1.9661 1.9661 1.9914 1.9914 2.3201 2.3201 2.3449 2.3449 2.5736 2.5736 2.6008 2.6008 2.7655 2.7655 3.5227 3.5227 3.8277 3.8277 4.0323 4.0323 4.1051 4.1051 4.3550 4.3550 8.9634 8.9634 9.7768 9.7768 10.1013 10.1013 10.3558 10.3558 10.4346 10.4346 11.7261 11.7261 13.5866 13.5867 k = 0.0000 0.0860 0.6667 ( 5913 PWs) bands (ev): -16.6756 -16.6756 -16.3210 -16.3210 -14.6697 -14.6697 -14.1580 -14.1580 -13.7225 -13.7225 -13.6936 -13.6936 -13.4432 -13.4432 -13.3313 -13.3313 -6.1239 -6.1239 -4.7371 -4.7371 -3.3566 -3.3566 -2.0022 -2.0022 -1.9268 -1.9268 -1.7863 -1.7863 -1.5428 -1.5428 -0.8553 -0.8553 -0.3839 -0.3839 -0.0048 -0.0048 0.4237 0.4237 0.8893 0.8893 1.0850 1.0850 1.4921 1.4921 1.9769 1.9769 1.9950 1.9950 2.3176 2.3176 2.3558 2.3558 2.5598 2.5598 2.5908 2.5908 2.7702 2.7702 3.5150 3.5150 3.8359 3.8359 4.0321 4.0321 4.1007 4.1007 4.3480 4.3480 8.9750 8.9750 9.7724 9.7724 10.0920 10.0920 10.3660 10.3660 10.4435 10.4435 11.7177 11.7177 13.5920 13.5923 k = 0.0000 0.1075 0.6667 ( 5917 PWs) bands (ev): -16.6717 -16.6717 -16.3198 -16.3198 -14.6695 -14.6695 -14.1588 -14.1588 -13.7228 -13.7228 -13.6931 -13.6931 -13.4507 -13.4507 -13.3348 -13.3348 -6.1152 -6.1152 -4.7355 -4.7355 -3.3655 -3.3655 -2.0065 -2.0065 -1.9421 -1.9421 -1.7667 -1.7667 -1.5274 -1.5274 -0.8583 -0.8583 -0.3851 -0.3851 0.0001 0.0001 0.4441 0.4441 0.8798 0.8798 1.0854 1.0854 1.4709 1.4709 1.9894 1.9894 1.9997 1.9997 2.3140 2.3140 2.3698 2.3698 2.5420 2.5420 2.5788 2.5788 2.7761 2.7761 3.5057 3.5057 3.8459 3.8459 4.0318 4.0318 4.0951 4.0951 4.3391 4.3391 8.9894 8.9894 9.7674 9.7674 10.0823 10.0823 10.3757 10.3757 10.4562 10.4562 11.7072 11.7072 13.5951 13.5962 k = 0.0000 0.1290 0.6667 ( 5913 PWs) bands (ev): -16.6669 -16.6669 -16.3182 -16.3182 -14.6693 -14.6693 -14.1598 -14.1598 -13.7232 -13.7232 -13.6925 -13.6925 -13.4598 -13.4598 -13.3390 -13.3390 -6.1045 -6.1045 -4.7339 -4.7339 -3.3757 -3.3757 -2.0152 -2.0152 -1.9538 -1.9538 -1.7461 -1.7461 -1.5090 -1.5090 -0.8619 -0.8619 -0.3857 -0.3857 0.0062 0.0062 0.4677 0.4677 0.8687 0.8687 1.0856 1.0856 1.4467 1.4467 2.0018 2.0018 2.0065 2.0065 2.3094 2.3094 2.3861 2.3861 2.5204 2.5204 2.5650 2.5650 2.7833 2.7833 3.4953 3.4953 3.8571 3.8571 4.0312 4.0312 4.0885 4.0885 4.3284 4.3284 9.0062 9.0062 9.7623 9.7623 10.0728 10.0728 10.3839 10.3839 10.4726 10.4726 11.6947 11.6947 13.5936 13.5938 k = 0.0000 0.1505 0.6667 ( 5913 PWs) bands (ev): -16.6613 -16.6613 -16.3165 -16.3165 -14.6690 -14.6690 -14.1609 -14.1609 -13.7236 -13.7236 -13.6919 -13.6919 -13.4702 -13.4702 -13.3440 -13.3440 -6.0920 -6.0920 -4.7324 -4.7324 -3.3868 -3.3868 -2.0297 -2.0297 -1.9605 -1.9605 -1.7244 -1.7244 -1.4878 -1.4878 -0.8662 -0.8662 -0.3854 -0.3854 0.0133 0.0133 0.4939 0.4939 0.8562 0.8562 1.0857 1.0857 1.4201 1.4201 2.0104 2.0104 2.0187 2.0187 2.3041 2.3041 2.4033 2.4033 2.4961 2.4961 2.5499 2.5499 2.7917 2.7917 3.4840 3.4840 3.8693 3.8693 4.0303 4.0303 4.0809 4.0809 4.3159 4.3159 9.0249 9.0249 9.7575 9.7575 10.0639 10.0639 10.3910 10.3910 10.4921 10.4921 11.6804 11.6804 13.5899 13.5900 k = 0.0000 0.1720 0.6667 ( 5913 PWs) bands (ev): -16.6549 -16.6549 -16.3146 -16.3146 -14.6686 -14.6686 -14.1621 -14.1621 -13.7241 -13.7241 -13.6911 -13.6911 -13.4819 -13.4819 -13.3497 -13.3497 -6.0778 -6.0778 -4.7315 -4.7315 -3.3983 -3.3983 -2.0494 -2.0494 -1.9630 -1.9630 -1.7015 -1.7015 -1.4641 -1.4641 -0.8710 -0.8710 -0.3838 -0.3838 0.0215 0.0215 0.5217 0.5217 0.8425 0.8425 1.0856 1.0856 1.3917 1.3917 2.0181 2.0181 2.0327 2.0327 2.2980 2.2980 2.4169 2.4169 2.4724 2.4724 2.5349 2.5349 2.8013 2.8013 3.4721 3.4721 3.8822 3.8822 4.0287 4.0287 4.0727 4.0727 4.3016 4.3016 9.0450 9.0450 9.7539 9.7539 10.0558 10.0558 10.3973 10.3973 10.5137 10.5137 11.6644 11.6644 13.5845 13.5845 k = 0.0000 0.1934 0.6667 ( 5921 PWs) bands (ev): -16.6477 -16.6477 -16.3126 -16.3126 -14.6682 -14.6682 -14.1636 -14.1636 -13.7246 -13.7246 -13.6904 -13.6904 -13.4948 -13.4948 -13.3559 -13.3559 -6.0618 -6.0618 -4.7314 -4.7314 -3.4099 -3.4099 -2.0727 -2.0727 -1.9628 -1.9628 -1.6774 -1.6774 -1.4380 -1.4380 -0.8764 -0.8764 -0.3807 -0.3807 0.0307 0.0307 0.5505 0.5505 0.8281 0.8281 1.0853 1.0853 1.3618 1.3618 2.0264 2.0264 2.0467 2.0467 2.2913 2.2913 2.4114 2.4114 2.4610 2.4610 2.5240 2.5240 2.8119 2.8119 3.4598 3.4598 3.8955 3.8955 4.0260 4.0260 4.0644 4.0644 4.2858 4.2858 9.0658 9.0658 9.7519 9.7519 10.0487 10.0487 10.4034 10.4034 10.5366 10.5366 11.6470 11.6470 13.5779 13.5779 k = 0.0000 0.2149 0.6667 ( 5925 PWs) bands (ev): -16.6397 -16.6397 -16.3105 -16.3105 -14.6678 -14.6678 -14.1651 -14.1651 -13.7251 -13.7251 -13.6895 -13.6895 -13.5088 -13.5088 -13.3628 -13.3628 -6.0440 -6.0440 -4.7323 -4.7323 -3.4210 -3.4210 -2.0985 -2.0985 -1.9611 -1.9611 -1.6524 -1.6524 -1.4096 -1.4096 -0.8822 -0.8822 -0.3757 -0.3757 0.0410 0.0410 0.5791 0.5791 0.8135 0.8135 1.0847 1.0847 1.3307 1.3307 2.0354 2.0354 2.0602 2.0602 2.2842 2.2842 2.3833 2.3833 2.4563 2.4563 2.5267 2.5267 2.8237 2.8237 3.4473 3.4473 3.9090 3.9090 4.0213 4.0213 4.0570 4.0570 4.2685 4.2685 9.0868 9.0868 9.7521 9.7521 10.0427 10.0427 10.4098 10.4098 10.5603 10.5603 11.6282 11.6282 13.5705 13.5705 k = 0.0000 0.2364 0.6667 ( 5934 PWs) bands (ev): -16.6310 -16.6310 -16.3084 -16.3084 -14.6672 -14.6672 -14.1668 -14.1668 -13.7257 -13.7257 -13.6887 -13.6887 -13.5238 -13.5238 -13.3703 -13.3703 -6.0247 -6.0247 -4.7346 -4.7346 -3.4313 -3.4313 -2.1260 -2.1260 -1.9583 -1.9583 -1.6264 -1.6264 -1.3792 -1.3792 -0.8886 -0.8886 -0.3688 -0.3688 0.0524 0.0524 0.6062 0.6062 0.7996 0.7996 1.0837 1.0837 1.2987 1.2987 2.0450 2.0450 2.0729 2.0729 2.2766 2.2766 2.3473 2.3473 2.4414 2.4414 2.5455 2.5455 2.8363 2.8363 3.4348 3.4348 3.9226 3.9226 4.0136 4.0136 4.0513 4.0513 4.2498 4.2498 9.1072 9.1072 9.7550 9.7550 10.0379 10.0379 10.4166 10.4166 10.5844 10.5844 11.6083 11.6083 13.5623 13.5623 k = 0.0000 0.2579 0.6667 ( 5932 PWs) bands (ev): -16.6217 -16.6217 -16.3062 -16.3062 -14.6667 -14.6667 -14.1686 -14.1686 -13.7263 -13.7263 -13.6878 -13.6878 -13.5396 -13.5396 -13.3781 -13.3781 -6.0038 -6.0038 -4.7386 -4.7386 -3.4402 -3.4402 -2.1548 -2.1548 -1.9548 -1.9548 -1.5997 -1.5997 -1.3468 -1.3468 -0.8953 -0.8953 -0.3596 -0.3596 0.0648 0.0648 0.6299 0.6299 0.7880 0.7880 1.0824 1.0824 1.2660 1.2660 2.0547 2.0547 2.0846 2.0846 2.2686 2.2686 2.3081 2.3081 2.4200 2.4200 2.5729 2.5729 2.8499 2.8499 3.4222 3.4222 3.9359 3.9359 4.0029 4.0029 4.0475 4.0475 4.2299 4.2299 9.1266 9.1266 9.7607 9.7607 10.0348 10.0348 10.4243 10.4243 10.6086 10.6086 11.5875 11.5875 13.5537 13.5537 k = 0.0000 0.2794 0.6667 ( 5926 PWs) bands (ev): -16.6117 -16.6117 -16.3042 -16.3042 -14.6660 -14.6660 -14.1704 -14.1704 -13.7269 -13.7269 -13.6868 -13.6868 -13.5561 -13.5561 -13.3864 -13.3864 -5.9813 -5.9813 -4.7445 -4.7445 -3.4475 -3.4475 -2.1848 -2.1848 -1.9508 -1.9508 -1.5724 -1.5724 -1.3125 -1.3125 -0.9025 -0.9025 -0.3482 -0.3482 0.0781 0.0781 0.6469 0.6469 0.7814 0.7814 1.0807 1.0807 1.2328 1.2328 2.0639 2.0639 2.0952 2.0952 2.2591 2.2591 2.2686 2.2686 2.3960 2.3960 2.6044 2.6044 2.8642 2.8642 3.4098 3.4098 3.9488 3.9488 3.9899 3.9899 4.0452 4.0452 4.2090 4.2090 9.1444 9.1444 9.7689 9.7689 10.0337 10.0337 10.4329 10.4329 10.6326 10.6326 11.5657 11.5657 13.5446 13.5446 k = 0.0000 0.3009 0.6667 ( 5926 PWs) bands (ev): -16.6011 -16.6011 -16.3022 -16.3022 -14.6653 -14.6653 -14.1724 -14.1724 -13.7275 -13.7275 -13.6859 -13.6859 -13.5731 -13.5731 -13.3950 -13.3950 -5.9574 -5.9574 -4.7526 -4.7526 -3.4528 -3.4528 -2.2156 -2.2156 -1.9463 -1.9463 -1.5447 -1.5447 -1.2766 -1.2766 -0.9099 -0.9099 -0.3345 -0.3345 0.0925 0.0925 0.6535 0.6535 0.7831 0.7831 1.0786 1.0786 1.1993 1.1993 2.0714 2.0714 2.1045 2.1045 2.2244 2.2244 2.2541 2.2541 2.3712 2.3712 2.6382 2.6382 2.8791 2.8791 3.3975 3.3975 3.9600 3.9600 3.9761 3.9761 4.0439 4.0439 4.1871 4.1871 9.1604 9.1604 9.7790 9.7790 10.0354 10.0354 10.4426 10.4426 10.6563 10.6563 11.5432 11.5432 13.5352 13.5352 k = 0.0000 0.3224 0.6667 ( 5930 PWs) bands (ev): -16.5900 -16.5900 -16.3005 -16.3005 -14.6645 -14.6645 -14.1745 -14.1745 -13.7281 -13.7281 -13.6850 -13.6850 -13.5906 -13.5906 -13.4037 -13.4037 -5.9322 -5.9322 -4.7631 -4.7631 -3.4557 -3.4557 -2.2470 -2.2470 -1.9416 -1.9416 -1.5168 -1.5168 -1.2391 -1.2391 -0.9177 -0.9177 -0.3184 -0.3184 0.1078 0.1078 0.6491 0.6491 0.7933 0.7933 1.0761 1.0761 1.1656 1.1656 2.0747 2.0747 2.1124 2.1124 2.1848 2.1848 2.2466 2.2466 2.3472 2.3472 2.6737 2.6737 2.8947 2.8947 3.3855 3.3855 3.9552 3.9552 3.9762 3.9762 4.0432 4.0432 4.1646 4.1646 9.1746 9.1746 9.7896 9.7896 10.0410 10.0410 10.4534 10.4534 10.6796 10.6796 11.5201 11.5201 13.5256 13.5256 k = 0.0000 0.3439 0.6667 ( 5934 PWs) bands (ev): -16.5783 -16.5783 -16.2990 -16.2990 -14.6636 -14.6636 -14.1766 -14.1766 -13.7287 -13.7287 -13.6840 -13.6840 -13.6084 -13.6084 -13.4127 -13.4127 -5.9056 -5.9056 -4.7761 -4.7761 -3.4563 -3.4563 -2.2789 -2.2789 -1.9365 -1.9365 -1.4889 -1.4889 -1.2001 -1.2001 -0.9256 -0.9256 -0.2998 -0.2998 0.1241 0.1241 0.6366 0.6366 0.8086 0.8086 1.0731 1.0731 1.1319 1.1319 2.0688 2.0688 2.1184 2.1184 2.1509 2.1509 2.2399 2.2399 2.3259 2.3259 2.7103 2.7103 2.9106 2.9106 3.3737 3.3737 3.9383 3.9383 3.9866 3.9866 4.0429 4.0429 4.1414 4.1414 9.1869 9.1869 9.7991 9.7991 10.0517 10.0517 10.4655 10.4655 10.7024 10.7024 11.4964 11.4964 13.5158 13.5158 k = 0.0000 0.3654 0.6667 ( 5926 PWs) bands (ev): -16.5662 -16.5662 -16.2978 -16.2978 -14.6626 -14.6626 -14.1787 -14.1787 -13.7293 -13.7293 -13.6831 -13.6831 -13.6263 -13.6263 -13.4216 -13.4216 -5.8778 -5.8778 -4.7918 -4.7918 -3.4543 -3.4543 -2.3110 -2.3110 -1.9313 -1.9313 -1.4613 -1.4613 -1.1599 -1.1599 -0.9336 -0.9336 -0.2789 -0.2789 0.1413 0.1413 0.6191 0.6191 0.8253 0.8253 1.0694 1.0694 1.0986 1.0986 2.0472 2.0472 2.1211 2.1211 2.1290 2.1290 2.2343 2.2343 2.3097 2.3097 2.7476 2.7476 2.9270 2.9270 3.3622 3.3622 3.9198 3.9198 3.9965 3.9965 4.0433 4.0433 4.1179 4.1179 9.1978 9.1978 9.8059 9.8059 10.0686 10.0686 10.4789 10.4789 10.7246 10.7246 11.4722 11.4722 13.5060 13.5060 k = 0.0000 0.3869 0.6667 ( 5927 PWs) bands (ev): -16.5537 -16.5537 -16.2970 -16.2970 -14.6616 -14.6616 -14.1809 -14.1809 -13.7300 -13.7300 -13.6823 -13.6823 -13.6441 -13.6441 -13.4306 -13.4306 -5.8488 -5.8488 -4.8102 -4.8102 -3.4498 -3.4498 -2.3433 -2.3433 -1.9260 -1.9260 -1.4342 -1.4342 -1.1186 -1.1186 -0.9415 -0.9415 -0.2556 -0.2556 0.1594 0.1594 0.5988 0.5988 0.8408 0.8408 1.0597 1.0597 1.0713 1.0713 2.0129 2.0129 2.1096 2.1096 2.1253 2.1253 2.2298 2.2298 2.3010 2.3010 2.7854 2.7854 2.9436 2.9436 3.3510 3.3510 3.9003 3.9003 4.0048 4.0048 4.0445 4.0445 4.0944 4.0944 9.2074 9.2074 9.8089 9.8089 10.0921 10.0921 10.4935 10.4935 10.7462 10.7462 11.4475 11.4475 13.4962 13.4962 k = 0.0000 0.4084 0.6667 ( 5922 PWs) bands (ev): -16.5408 -16.5408 -16.2966 -16.2966 -14.6604 -14.6604 -14.1832 -14.1832 -13.7306 -13.7306 -13.6818 -13.6818 -13.6614 -13.6614 -13.4394 -13.4394 -5.8187 -5.8187 -4.8311 -4.8311 -3.4428 -3.4428 -2.3754 -2.3754 -1.9205 -1.9205 -1.4079 -1.4079 -1.0766 -1.0766 -0.9493 -0.9493 -0.2300 -0.2300 0.1784 0.1784 0.5767 0.5767 0.8532 0.8532 1.0292 1.0292 1.0650 1.0650 1.9737 1.9737 2.0913 2.0913 2.1246 2.1246 2.2268 2.2268 2.3007 2.3007 2.8233 2.8233 2.9603 2.9603 3.3402 3.3402 3.8804 3.8804 4.0107 4.0107 4.0467 4.0467 4.0714 4.0714 9.2162 9.2162 9.8079 9.8079 10.1217 10.1217 10.5092 10.5092 10.7671 10.7671 11.4225 11.4225 13.4866 13.4866 k = 0.0000 0.4299 0.6667 ( 5929 PWs) bands (ev): -16.5277 -16.5277 -16.2967 -16.2967 -14.6591 -14.6591 -14.1854 -14.1854 -13.7313 -13.7313 -13.6844 -13.6844 -13.6754 -13.6754 -13.4480 -13.4480 -5.7876 -5.7876 -4.8546 -4.8546 -3.4335 -3.4335 -2.4071 -2.4071 -1.9150 -1.9150 -1.3824 -1.3824 -1.0347 -1.0347 -0.9561 -0.9561 -0.2022 -0.2022 0.1981 0.1981 0.5535 0.5535 0.8614 0.8614 0.9963 0.9963 1.0618 1.0618 1.9338 1.9338 2.0684 2.0684 2.1222 2.1222 2.2250 2.2250 2.3080 2.3080 2.8610 2.8610 2.9771 2.9771 3.3296 3.3296 3.8602 3.8602 4.0128 4.0128 4.0445 4.0445 4.0559 4.0559 9.2245 9.2245 9.8031 9.8031 10.1564 10.1564 10.5259 10.5259 10.7874 10.7874 11.3971 11.3971 13.4771 13.4771 k = 0.0000 0.4514 0.6667 ( 5932 PWs) bands (ev): -16.5144 -16.5144 -16.2974 -16.2974 -14.6578 -14.6578 -14.1876 -14.1876 -13.7319 -13.7319 -13.6981 -13.6981 -13.6778 -13.6778 -13.4563 -13.4563 -5.7555 -5.7555 -4.8804 -4.8804 -3.4221 -3.4221 -2.4384 -2.4384 -1.9095 -1.9095 -1.3580 -1.3580 -0.9970 -0.9970 -0.9583 -0.9583 -0.1723 -0.1723 0.2187 0.2187 0.5295 0.5295 0.8643 0.8643 0.9636 0.9636 1.0595 1.0595 1.8949 1.8949 2.0419 2.0419 2.1183 2.1183 2.2243 2.2243 2.3208 2.3208 2.8983 2.8983 2.9938 2.9938 3.3192 3.3192 3.8401 3.8401 4.0067 4.0067 4.0305 4.0305 4.0593 4.0593 9.2324 9.2324 9.7952 9.7952 10.1949 10.1949 10.5435 10.5435 10.8070 10.8070 11.3715 11.3715 13.4680 13.4680 k = 0.0000 0.4729 0.6667 ( 5931 PWs) bands (ev): -16.5010 -16.5010 -16.2987 -16.2987 -14.6563 -14.6563 -14.1898 -14.1898 -13.7327 -13.7327 -13.7139 -13.7139 -13.6773 -13.6773 -13.4643 -13.4643 -5.7226 -5.7226 -4.9083 -4.9083 -3.4090 -3.4090 -2.4690 -2.4690 -1.9041 -1.9041 -1.3349 -1.3349 -0.9834 -0.9834 -0.9358 -0.9358 -0.1404 -0.1404 0.2399 0.2399 0.5049 0.5049 0.8614 0.8614 0.9314 0.9314 1.0580 1.0580 1.8582 1.8582 2.0134 2.0134 2.1132 2.1132 2.2246 2.2246 2.3373 2.3373 2.9348 2.9348 3.0105 3.0105 3.3092 3.3092 3.8203 3.8203 3.9886 3.9886 4.0249 4.0249 4.0657 4.0657 9.2403 9.2403 9.7850 9.7850 10.2359 10.2359 10.5618 10.5618 10.8260 10.8260 11.3456 11.3456 13.4594 13.4594 k = 0.0000 0.4944 0.6667 ( 5936 PWs) bands (ev): -16.4874 -16.4874 -16.3006 -16.3006 -14.6548 -14.6548 -14.1919 -14.1919 -13.7346 -13.7346 -13.7282 -13.7282 -13.6766 -13.6766 -13.4719 -13.4719 -5.6889 -5.6889 -4.9383 -4.9383 -3.3945 -3.3945 -2.4987 -2.4987 -1.8987 -1.8987 -1.3132 -1.3132 -0.9875 -0.9875 -0.8957 -0.8957 -0.1067 -0.1067 0.2618 0.2618 0.4800 0.4800 0.8524 0.8524 0.8999 0.8999 1.0572 1.0572 1.8240 1.8240 1.9845 1.9845 2.1075 2.1075 2.2254 2.2254 2.3561 2.3561 2.9701 2.9701 3.0271 3.0271 3.2994 3.2994 3.8013 3.8013 3.9660 3.9660 4.0226 4.0226 4.0725 4.0725 9.2483 9.2483 9.7729 9.7729 10.2782 10.2782 10.5805 10.5805 10.8446 10.8446 11.3196 11.3196 13.4512 13.4512 k = 0.0000 0.5159 0.6667 ( 5946 PWs) bands (ev): -16.4739 -16.4739 -16.3032 -16.3032 -14.6532 -14.6532 -14.1939 -14.1939 -13.7454 -13.7454 -13.7328 -13.7328 -13.6758 -13.6758 -13.4790 -13.4790 -5.6544 -5.6544 -4.9700 -4.9700 -3.3789 -3.3789 -2.5271 -2.5271 -1.8936 -1.8936 -1.2932 -1.2932 -0.9939 -0.9939 -0.8535 -0.8535 -0.0714 -0.0714 0.2842 0.2842 0.4550 0.4550 0.8371 0.8371 0.8696 0.8696 1.0568 1.0568 1.7929 1.7929 1.9562 1.9562 2.1012 2.1012 2.2265 2.2265 2.3761 2.3761 3.0038 3.0038 3.0435 3.0435 3.2898 3.2898 3.7834 3.7834 3.9424 3.9424 4.0207 4.0207 4.0792 4.0792 9.2564 9.2564 9.7596 9.7596 10.3208 10.3208 10.5992 10.5992 10.8627 10.8627 11.2935 11.2935 13.4436 13.4436 k = 0.0000 0.5373 0.6667 ( 5946 PWs) bands (ev): -16.4605 -16.4605 -16.3065 -16.3065 -14.6516 -14.6516 -14.1958 -14.1958 -13.7588 -13.7588 -13.7337 -13.7337 -13.6750 -13.6750 -13.4856 -13.4856 -5.6194 -5.6194 -5.0031 -5.0031 -3.3628 -3.3628 -2.5540 -2.5540 -1.8886 -1.8886 -1.2748 -1.2748 -1.0006 -1.0006 -0.8118 -0.8118 -0.0347 -0.0347 0.3071 0.3071 0.4299 0.4299 0.8163 0.8163 0.8406 0.8406 1.0566 1.0566 1.7648 1.7648 1.9297 1.9297 2.0949 2.0949 2.2279 2.2279 2.3965 2.3965 3.0352 3.0352 3.0601 3.0601 3.2804 3.2804 3.7670 3.7670 3.9187 3.9187 4.0188 4.0188 4.0855 4.0855 9.2646 9.2646 9.7454 9.7454 10.3627 10.3627 10.6177 10.6177 10.8806 10.8806 11.2674 11.2674 13.4366 13.4366 k = 0.0000 0.5588 0.6667 ( 5943 PWs) bands (ev): -16.4473 -16.4473 -16.3105 -16.3105 -14.6499 -14.6499 -14.1976 -14.1976 -13.7714 -13.7714 -13.7344 -13.7344 -13.6742 -13.6742 -13.4916 -13.4916 -5.5838 -5.5838 -5.0375 -5.0375 -3.3466 -3.3466 -2.5792 -2.5792 -1.8840 -1.8840 -1.2584 -1.2584 -1.0071 -1.0071 -0.7716 -0.7716 0.0031 0.0031 0.3302 0.3302 0.4051 0.4051 0.7913 0.7913 0.8124 0.8124 1.0561 1.0561 1.7396 1.7396 1.9057 1.9057 2.0887 2.0887 2.2292 2.2292 2.4167 2.4167 3.0628 3.0628 3.0779 3.0779 3.2712 3.2712 3.7527 3.7527 3.8952 3.8952 4.0166 4.0166 4.0913 4.0913 9.2729 9.2729 9.7310 9.7310 10.4032 10.4032 10.6355 10.6355 10.8984 10.8984 11.2414 11.2414 13.4302 13.4302 k = 0.0000 0.5803 0.6667 ( 5935 PWs) bands (ev): -16.4344 -16.4344 -16.3153 -16.3153 -14.6483 -14.6483 -14.1992 -14.1992 -13.7827 -13.7827 -13.7350 -13.7350 -13.6734 -13.6734 -13.4970 -13.4970 -5.5479 -5.5479 -5.0729 -5.0729 -3.3308 -3.3308 -2.6021 -2.6021 -1.8796 -1.8796 -1.2439 -1.2439 -1.0132 -1.0132 -0.7335 -0.7335 0.0417 0.0417 0.3530 0.3530 0.3809 0.3809 0.7643 0.7643 0.7842 0.7842 1.0552 1.0552 1.7173 1.7173 1.8849 1.8849 2.0827 2.0827 2.2305 2.2305 2.4360 2.4360 3.0839 3.0839 3.0990 3.0990 3.2621 3.2621 3.7408 3.7408 3.8722 3.8722 4.0142 4.0142 4.0964 4.0964 9.2810 9.2810 9.7166 9.7166 10.4415 10.4415 10.6520 10.6520 10.9163 10.9163 11.2158 11.2158 13.4243 13.4243 k = 0.0000 0.6018 0.6667 ( 5934 PWs) bands (ev): -16.4218 -16.4218 -16.3207 -16.3207 -14.6467 -14.6467 -14.2006 -14.2006 -13.7926 -13.7926 -13.7356 -13.7356 -13.6727 -13.6727 -13.5017 -13.5017 -5.5118 -5.5118 -5.1089 -5.1089 -3.3160 -3.3160 -2.6224 -2.6224 -1.8756 -1.8756 -1.2315 -1.2315 -1.0188 -1.0188 -0.6983 -0.6983 0.0805 0.0805 0.3550 0.3550 0.3778 0.3778 0.7371 0.7371 0.7557 0.7557 1.0536 1.0536 1.6975 1.6975 1.8680 1.8680 2.0772 2.0772 2.2317 2.2317 2.4541 2.4541 3.1004 3.1004 3.1211 3.1211 3.2531 3.2531 3.7319 3.7319 3.8499 3.8499 4.0117 4.0117 4.1010 4.1010 9.2888 9.2888 9.7026 9.7026 10.4770 10.4770 10.6669 10.6669 10.9344 10.9344 11.1907 11.1907 13.4187 13.4187 k = 0.0000 0.6233 0.6667 ( 5932 PWs) bands (ev): -16.4098 -16.4098 -16.3268 -16.3268 -14.6452 -14.6452 -14.2017 -14.2017 -13.8010 -13.8010 -13.7361 -13.7361 -13.6720 -13.6720 -13.5057 -13.5057 -5.4758 -5.4758 -5.1452 -5.1452 -3.3028 -3.3028 -2.6396 -2.6396 -1.8721 -1.8721 -1.2213 -1.2213 -1.0239 -1.0239 -0.6670 -0.6670 0.1191 0.1191 0.3320 0.3320 0.3995 0.3995 0.7107 0.7107 0.7278 0.7278 1.0514 1.0514 1.6801 1.6801 1.8553 1.8553 2.0723 2.0723 2.2327 2.2327 2.4703 2.4703 3.1151 3.1151 3.1408 3.1408 3.2442 3.2442 3.7263 3.7263 3.8287 3.8287 4.0091 4.0091 4.1048 4.1048 9.2960 9.2960 9.6896 9.6896 10.5090 10.5090 10.6796 10.6796 10.9528 10.9528 11.1667 11.1667 13.4135 13.4135 k = 0.0000 0.6448 0.6667 ( 5936 PWs) bands (ev): -16.3986 -16.3986 -16.3333 -16.3333 -14.6438 -14.6438 -14.2026 -14.2026 -13.8078 -13.8078 -13.7367 -13.7367 -13.6713 -13.6713 -13.5090 -13.5090 -5.4404 -5.4404 -5.1812 -5.1812 -3.2917 -3.2917 -2.6533 -2.6533 -1.8690 -1.8690 -1.2133 -1.2133 -1.0283 -1.0283 -0.6403 -0.6403 0.1566 0.1566 0.3093 0.3093 0.4201 0.4201 0.6861 0.6861 0.7019 0.7019 1.0487 1.0487 1.6652 1.6652 1.8469 1.8469 2.0680 2.0680 2.2335 2.2335 2.4843 2.4843 3.1289 3.1289 3.1568 3.1568 3.2353 3.2353 3.7243 3.7243 3.8089 3.8089 4.0063 4.0063 4.1080 4.1080 9.3022 9.3022 9.6778 9.6778 10.5369 10.5369 10.6899 10.6899 10.9709 10.9709 11.1445 11.1445 13.4085 13.4085 k = 0.0000 0.6663 0.6667 ( 5934 PWs) bands (ev): -16.3886 -16.3886 -16.3399 -16.3399 -14.6426 -14.6426 -14.2032 -14.2032 -13.8130 -13.8130 -13.7372 -13.7372 -13.6707 -13.6707 -13.5115 -13.5115 -5.4068 -5.4068 -5.2156 -5.2156 -3.2833 -3.2833 -2.6630 -2.6630 -1.8663 -1.8663 -1.2075 -1.2075 -1.0321 -1.0321 -0.6191 -0.6191 0.1915 0.1915 0.2877 0.2877 0.4381 0.4381 0.6645 0.6645 0.6798 0.6798 1.0455 1.0455 1.6526 1.6526 1.8428 1.8428 2.0644 2.0644 2.2340 2.2340 2.4955 2.4955 3.1419 3.1419 3.1684 3.1684 3.2265 3.2265 3.7260 3.7260 3.7909 3.7909 4.0035 4.0035 4.1104 4.1104 9.3072 9.3072 9.6679 9.6679 10.5600 10.5600 10.6975 10.6975 10.9878 10.9878 11.1254 11.1254 13.4035 13.4035 k = 0.0000 0.6663 0.6667 ( 5934 PWs) bands (ev): -16.3886 -16.3886 -16.3399 -16.3399 -14.6426 -14.6426 -14.2032 -14.2032 -13.8130 -13.8130 -13.7372 -13.7372 -13.6707 -13.6707 -13.5115 -13.5115 -5.4068 -5.4068 -5.2156 -5.2156 -3.2833 -3.2833 -2.6630 -2.6630 -1.8663 -1.8663 -1.2075 -1.2075 -1.0321 -1.0321 -0.6191 -0.6191 0.1915 0.1915 0.2877 0.2877 0.4381 0.4381 0.6645 0.6645 0.6798 0.6798 1.0455 1.0455 1.6526 1.6526 1.8428 1.8428 2.0644 2.0644 2.2340 2.2340 2.4955 2.4955 3.1419 3.1419 3.1684 3.1684 3.2265 3.2265 3.7260 3.7260 3.7909 3.7909 4.0035 4.0035 4.1104 4.1104 9.3072 9.3072 9.6679 9.6679 10.5600 10.5600 10.6975 10.6975 10.9878 10.9878 11.1254 11.1254 13.4035 13.4035 k = 0.0000 0.6787 0.6522 ( 5932 PWs) bands (ev): -16.3837 -16.3837 -16.3424 -16.3424 -14.6428 -14.6428 -14.2041 -14.2041 -13.8149 -13.8149 -13.7374 -13.7374 -13.6705 -13.6705 -13.5130 -13.5130 -5.3912 -5.3912 -5.2331 -5.2331 -3.2779 -3.2779 -2.6647 -2.6647 -1.8664 -1.8664 -1.2040 -1.2040 -1.0336 -1.0336 -0.6071 -0.6071 0.2024 0.2024 0.2841 0.2841 0.4449 0.4449 0.6512 0.6512 0.6713 0.6713 1.0398 1.0398 1.6437 1.6437 1.8458 1.8458 2.0603 2.0603 2.2335 2.2335 2.4998 2.4998 3.1549 3.1549 3.1716 3.1716 3.2214 3.2214 3.7324 3.7324 3.7825 3.7825 4.0004 4.0004 4.1111 4.1111 9.3159 9.3159 9.6665 9.6665 10.5755 10.5755 10.6910 10.6910 10.9920 10.9920 11.1167 11.1167 13.3974 13.3974 k = 0.0000 0.6910 0.6376 ( 5928 PWs) bands (ev): -16.3798 -16.3798 -16.3446 -16.3446 -14.6430 -14.6430 -14.2047 -14.2047 -13.8163 -13.8163 -13.7375 -13.7375 -13.6703 -13.6703 -13.5140 -13.5140 -5.3776 -5.3776 -5.2482 -5.2482 -3.2741 -3.2741 -2.6660 -2.6660 -1.8664 -1.8664 -1.2015 -1.2015 -1.0348 -1.0348 -0.5984 -0.5984 0.2111 0.2111 0.2811 0.2811 0.4501 0.4501 0.6407 0.6407 0.6654 0.6654 1.0358 1.0358 1.6373 1.6373 1.8479 1.8479 2.0574 2.0574 2.2332 2.2332 2.5030 2.5030 3.1636 3.1636 3.1769 3.1769 3.2152 3.2152 3.7390 3.7390 3.7745 3.7745 3.9980 3.9980 4.1116 4.1116 9.3222 9.3222 9.6654 9.6654 10.5883 10.5883 10.6846 10.6846 10.9958 10.9958 11.1098 11.1098 13.3930 13.3930 k = 0.0000 0.7034 0.6231 ( 5925 PWs) bands (ev): -16.3771 -16.3771 -16.3462 -16.3462 -14.6431 -14.6431 -14.2051 -14.2051 -13.8171 -13.8171 -13.7376 -13.7376 -13.6701 -13.6701 -13.5147 -13.5147 -5.3677 -5.3677 -5.2589 -5.2589 -3.2718 -3.2718 -2.6667 -2.6667 -1.8664 -1.8664 -1.1999 -1.1999 -1.0355 -1.0355 -0.5932 -0.5932 0.2169 0.2169 0.2789 0.2789 0.4533 0.4533 0.6339 0.6339 0.6619 0.6619 1.0334 1.0334 1.6333 1.6333 1.8492 1.8492 2.0556 2.0556 2.2330 2.2330 2.5050 2.5050 3.1671 3.1671 3.1850 3.1850 3.2085 3.2085 3.7451 3.7451 3.7675 3.7675 3.9966 3.9966 4.1120 4.1120 9.3261 9.3261 9.6648 9.6648 10.5972 10.5972 10.6795 10.6795 10.9984 10.9984 11.1053 11.1053 13.3903 13.3903 k = 0.0000 0.7157 0.6086 ( 5930 PWs) bands (ev): -16.3762 -16.3762 -16.3468 -16.3468 -14.6431 -14.6431 -14.2052 -14.2052 -13.8174 -13.8174 -13.7377 -13.7377 -13.6701 -13.6701 -13.5149 -13.5149 -5.3639 -5.3639 -5.2630 -5.2630 -3.2710 -3.2710 -2.6669 -2.6669 -1.8664 -1.8664 -1.1994 -1.1994 -1.0357 -1.0357 -0.5915 -0.5915 0.2190 0.2190 0.2781 0.2781 0.4544 0.4544 0.6316 0.6316 0.6607 0.6607 1.0326 1.0326 1.6320 1.6320 1.8496 1.8496 2.0550 2.0550 2.2329 2.2329 2.5056 2.5056 3.1678 3.1678 3.1901 3.1901 3.2042 3.2042 3.7484 3.7484 3.7640 3.7640 3.9961 3.9961 4.1121 4.1121 9.3274 9.3274 9.6646 9.6646 10.6005 10.6005 10.6775 10.6775 10.9994 10.9994 11.1038 11.1038 13.3894 13.3894 k = 0.0000 0.7157 0.6086 ( 5930 PWs) bands (ev): -16.3762 -16.3762 -16.3468 -16.3468 -14.6431 -14.6431 -14.2052 -14.2052 -13.8174 -13.8174 -13.7377 -13.7377 -13.6701 -13.6701 -13.5149 -13.5149 -5.3639 -5.3639 -5.2630 -5.2630 -3.2710 -3.2710 -2.6669 -2.6669 -1.8664 -1.8664 -1.1994 -1.1994 -1.0357 -1.0357 -0.5915 -0.5915 0.2190 0.2190 0.2781 0.2781 0.4544 0.4544 0.6316 0.6316 0.6607 0.6607 1.0326 1.0326 1.6320 1.6320 1.8496 1.8496 2.0550 2.0550 2.2329 2.2329 2.5056 2.5056 3.1678 3.1678 3.1901 3.1901 3.2042 3.2042 3.7484 3.7484 3.7640 3.7640 3.9961 3.9961 4.1121 4.1121 9.3274 9.3274 9.6646 9.6646 10.6005 10.6005 10.6775 10.6775 10.9994 10.9994 11.1038 11.1038 13.3894 13.3894 k = 0.0208 0.7157 0.6086 ( 5924 PWs) bands (ev): -16.3761 -16.3761 -16.3467 -16.3467 -14.6429 -14.6429 -14.2062 -14.2062 -13.8193 -13.8193 -13.7348 -13.7348 -13.6711 -13.6711 -13.5140 -13.5140 -5.3624 -5.3624 -5.2614 -5.2614 -3.2731 -3.2731 -2.6714 -2.6714 -1.8654 -1.8654 -1.1984 -1.1984 -1.0383 -1.0383 -0.5913 -0.5913 0.2177 0.2177 0.2762 0.2762 0.4552 0.4552 0.6270 0.6270 0.6696 0.6696 1.0347 1.0347 1.6315 1.6315 1.8483 1.8483 2.0535 2.0535 2.2328 2.2328 2.5093 2.5093 3.1678 3.1678 3.1907 3.1907 3.2050 3.2050 3.7485 3.7485 3.7650 3.7650 3.9972 3.9972 4.1112 4.1112 9.3282 9.3282 9.6647 9.6647 10.5938 10.5938 10.6821 10.6821 10.9968 10.9968 11.1028 11.1028 13.3901 13.3901 k = 0.0417 0.7157 0.6086 ( 5928 PWs) bands (ev): -16.3759 -16.3759 -16.3467 -16.3467 -14.6423 -14.6423 -14.2092 -14.2092 -13.8243 -13.8243 -13.7271 -13.7271 -13.6742 -13.6742 -13.5114 -13.5114 -5.3578 -5.3578 -5.2568 -5.2568 -3.2795 -3.2795 -2.6848 -2.6848 -1.8626 -1.8626 -1.1955 -1.1955 -1.0461 -1.0461 -0.5910 -0.5910 0.2139 0.2139 0.2706 0.2706 0.4576 0.4576 0.6199 0.6199 0.6894 0.6894 1.0411 1.0411 1.6299 1.6299 1.8443 1.8443 2.0492 2.0492 2.2323 2.2323 2.5201 2.5201 3.1678 3.1678 3.1923 3.1923 3.2075 3.2075 3.7488 3.7488 3.7680 3.7680 4.0008 4.0008 4.1084 4.1084 9.3307 9.3307 9.6649 9.6649 10.5770 10.5770 10.6929 10.6929 10.9887 10.9887 11.1002 11.1002 13.3921 13.3921 k = 0.0625 0.7157 0.6086 ( 5924 PWs) bands (ev): -16.3755 -16.3755 -16.3466 -16.3466 -14.6413 -14.6413 -14.2142 -14.2142 -13.8310 -13.8310 -13.7161 -13.7161 -13.6790 -13.6790 -13.5074 -13.5074 -5.3502 -5.3502 -5.2490 -5.2490 -3.2899 -3.2899 -2.7068 -2.7068 -1.8580 -1.8580 -1.1908 -1.1908 -1.0585 -1.0585 -0.5907 -0.5907 0.2077 0.2077 0.2620 0.2620 0.4617 0.4617 0.6144 0.6144 0.7150 0.7150 1.0512 1.0512 1.6276 1.6276 1.8378 1.8378 2.0424 2.0424 2.2314 2.2314 2.5373 2.5373 3.1676 3.1676 3.1950 3.1950 3.2117 3.2117 3.7493 3.7493 3.7731 3.7731 4.0067 4.0067 4.1039 4.1039 9.3348 9.3348 9.6652 9.6652 10.5541 10.5541 10.7057 10.7057 10.9745 10.9745 11.0967 11.0967 13.3954 13.3954 k = 0.0833 0.7157 0.6086 ( 5920 PWs) bands (ev): -16.3750 -16.3750 -16.3465 -16.3465 -14.6399 -14.6399 -14.2210 -14.2210 -13.8382 -13.8382 -13.7029 -13.7029 -13.6852 -13.6852 -13.5023 -13.5023 -5.3397 -5.3397 -5.2382 -5.2382 -3.3045 -3.3045 -2.7367 -2.7367 -1.8520 -1.8520 -1.1845 -1.1845 -1.0751 -1.0751 -0.5907 -0.5907 0.1995 0.1995 0.2510 0.2510 0.4677 0.4677 0.6110 0.6110 0.7450 0.7450 1.0645 1.0645 1.6246 1.6246 1.8288 1.8288 2.0337 2.0337 2.2302 2.2302 2.5600 2.5600 3.1673 3.1673 3.1988 3.1988 3.2177 3.2177 3.7497 3.7497 3.7801 3.7801 4.0151 4.0151 4.0976 4.0976 9.3404 9.3404 9.6655 9.6655 10.5273 10.5273 10.7187 10.7187 10.9536 10.9536 11.0934 11.0934 13.3999 13.3999 k = 0.1042 0.7157 0.6086 ( 5926 PWs) bands (ev): -16.3743 -16.3743 -16.3464 -16.3464 -14.6381 -14.6381 -14.2296 -14.2296 -13.8452 -13.8452 -13.6937 -13.6937 -13.6873 -13.6873 -13.4963 -13.4963 -5.3262 -5.3262 -5.2243 -5.2243 -3.3230 -3.3230 -2.7738 -2.7738 -1.8448 -1.8448 -1.1771 -1.1771 -1.0947 -1.0947 -0.5912 -0.5912 0.1895 0.1895 0.2385 0.2385 0.4757 0.4757 0.6092 0.6092 0.7786 0.7786 1.0801 1.0801 1.6215 1.6215 1.8175 1.8175 2.0235 2.0235 2.2284 2.2284 2.5871 2.5871 3.1667 3.1667 3.2039 3.2039 3.2257 3.2257 3.7500 3.7500 3.7891 3.7891 4.0260 4.0260 4.0898 4.0898 9.3474 9.3474 9.6658 9.6658 10.4974 10.4974 10.7309 10.7309 10.9263 10.9263 11.0908 11.0908 13.4055 13.4055 k = 0.1250 0.7157 0.6086 ( 5920 PWs) bands (ev): -16.3736 -16.3736 -16.3462 -16.3462 -14.6359 -14.6359 -14.2397 -14.2397 -13.8516 -13.8516 -13.7014 -13.7014 -13.6725 -13.6725 -13.4898 -13.4898 -5.3098 -5.3098 -5.2076 -5.2076 -3.3454 -3.3454 -2.8174 -2.8174 -1.8367 -1.8367 -1.1701 -1.1701 -1.1155 -1.1155 -0.5925 -0.5925 0.1783 0.1783 0.2252 0.2252 0.4854 0.4854 0.6089 0.6089 0.8150 0.8150 1.0972 1.0972 1.6186 1.6186 1.8039 1.8039 2.0124 2.0124 2.2260 2.2260 2.6176 2.6176 3.1657 3.1657 3.2102 3.2102 3.2356 3.2356 3.7499 3.7499 3.8000 3.8000 4.0392 4.0392 4.0806 4.0806 9.3558 9.3558 9.6661 9.6661 10.4653 10.4653 10.7413 10.7413 10.8938 10.8938 11.0888 11.0888 13.4120 13.4120 k = 0.1458 0.7157 0.6086 ( 5920 PWs) bands (ev): -16.3726 -16.3726 -16.3461 -16.3461 -14.6332 -14.6332 -14.2513 -14.2513 -13.8573 -13.8573 -13.7103 -13.7103 -13.6567 -13.6567 -13.4831 -13.4831 -5.2906 -5.2906 -5.1880 -5.1880 -3.3714 -3.3714 -2.8666 -2.8666 -1.8278 -1.8278 -1.1697 -1.1697 -1.1304 -1.1304 -0.5949 -0.5949 0.1663 0.1663 0.2115 0.2115 0.4968 0.4968 0.6096 0.6096 0.8537 0.8537 1.1150 1.1150 1.6162 1.6162 1.7884 1.7884 2.0007 2.0007 2.2229 2.2229 2.6502 2.6502 3.1641 3.1641 3.2181 3.2181 3.2475 3.2475 3.7491 3.7491 3.8128 3.8128 4.0540 4.0540 4.0711 4.0711 9.3653 9.3653 9.6661 9.6661 10.4311 10.4311 10.7471 10.7471 10.8595 10.8595 11.0872 11.0872 13.4192 13.4192 k = 0.1667 0.7157 0.6086 ( 5926 PWs) bands (ev): -16.3716 -16.3716 -16.3459 -16.3459 -14.6301 -14.6301 -14.2640 -14.2640 -13.8622 -13.8622 -13.7196 -13.7196 -13.6406 -13.6406 -13.4763 -13.4763 -5.2687 -5.2687 -5.1657 -5.1657 -3.4008 -3.4008 -2.9207 -2.9207 -1.8184 -1.8184 -1.1863 -1.1863 -1.1288 -1.1288 -0.5986 -0.5986 0.1539 0.1539 0.1979 0.1979 0.5096 0.5096 0.6113 0.6113 0.8939 0.8939 1.1329 1.1329 1.6146 1.6146 1.7710 1.7710 1.9888 1.9888 2.2190 2.2190 2.6840 2.6840 3.1620 3.1620 3.2275 3.2275 3.2615 3.2615 3.7477 3.7477 3.8270 3.8270 4.0563 4.0563 4.0755 4.0755 9.3758 9.3758 9.6657 9.6657 10.3955 10.3955 10.7407 10.7407 10.8321 10.8321 11.0860 11.0860 13.4267 13.4267 k = 0.1875 0.7157 0.6086 ( 5924 PWs) bands (ev): -16.3705 -16.3705 -16.3458 -16.3458 -14.6265 -14.6265 -14.2778 -14.2778 -13.8662 -13.8662 -13.7292 -13.7292 -13.6244 -13.6244 -13.4697 -13.4697 -5.2442 -5.2442 -5.1408 -5.1408 -3.4333 -3.4333 -2.9789 -2.9789 -1.8085 -1.8085 -1.2124 -1.2124 -1.1178 -1.1178 -0.6036 -0.6036 0.1416 0.1416 0.1846 0.1846 0.5235 0.5235 0.6137 0.6137 0.9352 0.9352 1.1502 1.1502 1.6141 1.6141 1.7520 1.7520 1.9770 1.9770 2.2143 2.2143 2.7180 2.7180 3.1592 3.1592 3.2386 3.2386 3.2774 3.2774 3.7453 3.7453 3.8424 3.8424 4.0456 4.0456 4.0947 4.0947 9.3870 9.3870 9.6650 9.6650 10.3589 10.3589 10.7120 10.7120 10.8228 10.8228 11.0848 11.0848 13.4345 13.4345 k = 0.2083 0.7157 0.6086 ( 5932 PWs) bands (ev): -16.3693 -16.3693 -16.3457 -16.3457 -14.6225 -14.6225 -14.2924 -14.2924 -13.8694 -13.8694 -13.7388 -13.7388 -13.6084 -13.6084 -13.4633 -13.4633 -5.2172 -5.2172 -5.1135 -5.1135 -3.4687 -3.4687 -3.0404 -3.0404 -1.7982 -1.7982 -1.2412 -1.2412 -1.1035 -1.1035 -0.6100 -0.6100 0.1296 0.1296 0.1718 0.1718 0.5381 0.5381 0.6166 0.6166 0.9770 0.9770 1.1666 1.1666 1.6147 1.6147 1.7316 1.7316 1.9656 1.9656 2.2087 2.2087 2.7515 2.7515 3.1556 3.1556 3.2515 3.2515 3.2951 3.2951 3.7421 3.7421 3.8578 3.8578 4.0352 4.0352 4.1163 4.1163 9.3988 9.3988 9.6638 9.6638 10.3218 10.3218 10.6662 10.6662 10.8271 10.8271 11.0834 11.0834 13.4421 13.4421 k = 0.2292 0.7157 0.6086 ( 5938 PWs) bands (ev): -16.3680 -16.3680 -16.3456 -16.3456 -14.6179 -14.6179 -14.3077 -14.3077 -13.8719 -13.8719 -13.7485 -13.7485 -13.5927 -13.5927 -13.4574 -13.4574 -5.1880 -5.1880 -5.0841 -5.0841 -3.5063 -3.5063 -3.1045 -3.1045 -1.7875 -1.7875 -1.2711 -1.2711 -1.0876 -1.0876 -0.6179 -0.6179 0.1182 0.1182 0.1596 0.1596 0.5531 0.5531 0.6202 0.6202 1.0188 1.0188 1.1818 1.1818 1.6161 1.6161 1.7100 1.7100 1.9551 1.9551 2.2020 2.2020 2.7836 2.7836 3.1514 3.1514 3.2661 3.2661 3.3145 3.3145 3.7380 3.7380 3.8712 3.8712 4.0275 4.0275 4.1392 4.1392 9.4108 9.4108 9.6621 9.6621 10.2847 10.2847 10.6130 10.6130 10.8370 10.8370 11.0817 11.0817 13.4491 13.4491 k = 0.2500 0.7157 0.6086 ( 5944 PWs) bands (ev): -16.3667 -16.3667 -16.3455 -16.3455 -14.6128 -14.6128 -14.3235 -14.3235 -13.8736 -13.8736 -13.7581 -13.7581 -13.5773 -13.5773 -13.4519 -13.4519 -5.1566 -5.1566 -5.0528 -5.0528 -3.5459 -3.5459 -3.1706 -3.1706 -1.7765 -1.7765 -1.3012 -1.3012 -1.0706 -1.0706 -0.6273 -0.6273 0.1076 0.1076 0.1480 0.1480 0.5683 0.5683 0.6241 0.6241 1.0604 1.0604 1.1959 1.1959 1.6179 1.6179 1.6874 1.6874 1.9458 1.9458 2.1943 2.1943 2.8141 2.8141 3.1464 3.1464 3.2825 3.2825 3.3351 3.3351 3.7330 3.7330 3.8797 3.8797 4.0257 4.0257 4.1630 4.1630 9.4228 9.4228 9.6598 9.6598 10.2481 10.2481 10.5564 10.5564 10.8489 10.8489 11.0796 11.0796 13.4554 13.4554 k = 0.2708 0.7157 0.6086 ( 5950 PWs) bands (ev): -16.3653 -16.3653 -16.3455 -16.3455 -14.6072 -14.6072 -14.3395 -14.3395 -13.8747 -13.8747 -13.7676 -13.7676 -13.5624 -13.5624 -13.4471 -13.4471 -5.1233 -5.1233 -5.0199 -5.0199 -3.5868 -3.5868 -3.2379 -3.2379 -1.7651 -1.7651 -1.3311 -1.3311 -1.0526 -1.0526 -0.6381 -0.6381 0.0980 0.0980 0.1372 0.1372 0.5831 0.5831 0.6283 0.6283 1.1013 1.1013 1.2090 1.2090 1.6195 1.6195 1.6642 1.6642 1.9382 1.9382 2.1855 2.1855 2.8425 2.8425 3.1408 3.1408 3.3006 3.3006 3.3567 3.3567 3.7271 3.7271 3.8802 3.8802 4.0328 4.0328 4.1869 4.1869 9.4345 9.4345 9.6569 9.6569 10.2126 10.2126 10.4989 10.4989 10.8620 10.8620 11.0770 11.0770 13.4605 13.4605 k = 0.2917 0.7157 0.6086 ( 5946 PWs) bands (ev): -16.3638 -16.3638 -16.3455 -16.3455 -14.6010 -14.6010 -14.3558 -14.3558 -13.8750 -13.8750 -13.7768 -13.7768 -13.5481 -13.5481 -13.4429 -13.4429 -5.0884 -5.0884 -4.9859 -4.9859 -3.6284 -3.6284 -3.3057 -3.3057 -1.7533 -1.7533 -1.3604 -1.3604 -1.0339 -1.0339 -0.6503 -0.6503 0.0894 0.0894 0.1270 0.1270 0.5974 0.5974 0.6328 0.6328 1.1412 1.1412 1.2215 1.2215 1.6191 1.6191 1.6415 1.6415 1.9329 1.9329 2.1756 2.1756 2.8688 2.8688 3.1345 3.1345 3.3203 3.3203 3.3789 3.3789 3.7204 3.7204 3.8721 3.8721 4.0492 4.0492 4.2104 4.2104 9.4457 9.4457 9.6533 9.6533 10.1787 10.1787 10.4419 10.4419 10.8755 10.8755 11.0739 11.0739 13.4642 13.4642 k = 0.3125 0.7157 0.6086 ( 5942 PWs) bands (ev): -16.3624 -16.3624 -16.3456 -16.3456 -14.5943 -14.5943 -14.3721 -14.3721 -13.8748 -13.8748 -13.7857 -13.7857 -13.5344 -13.5344 -13.4395 -13.4395 -5.0523 -5.0523 -4.9514 -4.9514 -3.6698 -3.6698 -3.3735 -3.3735 -1.7410 -1.7410 -1.3891 -1.3891 -1.0145 -1.0145 -0.6638 -0.6638 0.0820 0.0820 0.1176 0.1176 0.6109 0.6109 0.6374 0.6374 1.1795 1.1795 1.2341 1.2341 1.6094 1.6094 1.6263 1.6263 1.9303 1.9303 2.1646 2.1646 2.8929 2.8929 3.1275 3.1275 3.3415 3.3415 3.4011 3.4011 3.7130 3.7130 3.8571 3.8571 4.0726 4.0726 4.2328 4.2328 9.4561 9.4561 9.6489 9.6489 10.1469 10.1469 10.3867 10.3867 10.8894 10.8894 11.0702 11.0702 13.4665 13.4665 k = 0.3333 0.7157 0.6086 ( 5930 PWs) bands (ev): -16.3609 -16.3609 -16.3458 -16.3458 -14.5869 -14.5869 -14.3883 -14.3883 -13.8740 -13.8740 -13.7943 -13.7943 -13.5214 -13.5214 -13.4368 -13.4368 -5.0153 -5.0153 -4.9170 -4.9170 -3.7102 -3.7102 -3.4406 -3.4406 -1.7282 -1.7282 -1.4169 -1.4169 -0.9946 -0.9946 -0.6785 -0.6785 0.0757 0.0757 0.1088 0.1088 0.6233 0.6233 0.6422 0.6422 1.2153 1.2153 1.2478 1.2478 1.5874 1.5874 1.6208 1.6208 1.9308 1.9308 2.1526 2.1526 2.9150 2.9150 3.1200 3.1200 3.3640 3.3640 3.4230 3.4230 3.7050 3.7050 3.8377 3.8377 4.1003 4.1003 4.2537 4.2537 9.4658 9.4658 9.6436 9.6436 10.1181 10.1181 10.3342 10.3342 10.9033 10.9033 11.0658 11.0658 13.4672 13.4672 k = 0.3542 0.7157 0.6086 ( 5938 PWs) bands (ev): -16.3595 -16.3595 -16.3461 -16.3461 -14.5790 -14.5790 -14.4043 -14.4043 -13.8726 -13.8726 -13.8026 -13.8026 -13.5091 -13.5091 -13.4350 -13.4350 -4.9780 -4.9780 -4.8835 -4.8835 -3.7485 -3.7485 -3.5060 -3.5060 -1.7149 -1.7149 -1.4437 -1.4437 -0.9743 -0.9743 -0.6943 -0.6943 0.0706 0.0706 0.1008 0.1008 0.6343 0.6343 0.6469 0.6469 1.2447 1.2447 1.2666 1.2666 1.5634 1.5634 1.6146 1.6146 1.9346 1.9346 2.1395 2.1395 2.9352 2.9352 3.1119 3.1119 3.3877 3.3877 3.4442 3.4442 3.6964 3.6964 3.8155 3.8155 4.1302 4.1302 4.2723 4.2723 9.4748 9.4748 9.6370 9.6370 10.0929 10.0929 10.2852 10.2852 10.9172 10.9172 11.0608 11.0608 13.4665 13.4665 k = 0.3750 0.7157 0.6086 ( 5930 PWs) bands (ev): -16.3580 -16.3580 -16.3465 -16.3465 -14.5704 -14.5704 -14.4201 -14.4201 -13.8707 -13.8707 -13.8105 -13.8105 -13.4977 -13.4977 -13.4341 -13.4341 -4.9409 -4.9409 -4.8520 -4.8520 -3.7834 -3.7834 -3.5692 -3.5692 -1.7010 -1.7010 -1.4695 -1.4695 -0.9536 -0.9536 -0.7111 -0.7111 0.0667 0.0667 0.0934 0.0934 0.6438 0.6438 0.6514 0.6514 1.2639 1.2639 1.2942 1.2942 1.5397 1.5397 1.6059 1.6059 1.9416 1.9416 2.1255 2.1255 2.9538 2.9538 3.1033 3.1033 3.4122 3.4122 3.4644 3.4644 3.6874 3.6874 3.7914 3.7914 4.1608 4.1608 4.2881 4.2881 9.4834 9.4834 9.6288 9.6288 10.0722 10.0722 10.2404 10.2404 10.9309 10.9309 11.0550 11.0550 13.4646 13.4647 k = 0.3958 0.7157 0.6086 ( 5932 PWs) bands (ev): -16.3567 -16.3567 -16.3469 -16.3469 -14.5612 -14.5612 -14.4356 -14.4356 -13.8683 -13.8683 -13.8179 -13.8179 -13.4872 -13.4872 -13.4341 -13.4341 -4.9048 -4.9048 -4.8237 -4.8237 -3.8135 -3.8135 -3.6290 -3.6290 -1.6864 -1.6864 -1.4942 -1.4942 -0.9327 -0.9327 -0.7288 -0.7288 0.0638 0.0638 0.0868 0.0868 0.6517 0.6517 0.6558 0.6558 1.2795 1.2795 1.3237 1.3237 1.5172 1.5172 1.5942 1.5942 1.9515 1.9515 2.1106 2.1106 2.9710 2.9710 3.0942 3.0942 3.4371 3.4371 3.4833 3.4833 3.6782 3.6782 3.7663 3.7663 4.1906 4.1906 4.3005 4.3005 9.4919 9.4919 9.6187 9.6187 10.0567 10.0567 10.2000 10.2000 10.9444 10.9444 11.0485 11.0485 13.4619 13.4620 k = 0.4167 0.7157 0.6086 ( 5932 PWs) bands (ev): -16.3553 -16.3553 -16.3474 -16.3474 -14.5514 -14.5514 -14.4506 -14.4506 -13.8654 -13.8654 -13.8250 -13.8250 -13.4775 -13.4775 -13.4350 -13.4350 -4.8706 -4.8706 -4.8001 -4.8001 -3.8371 -3.8371 -3.6846 -3.6846 -1.6711 -1.6711 -1.5178 -1.5178 -0.9116 -0.9116 -0.7474 -0.7474 0.0620 0.0620 0.0809 0.0809 0.6578 0.6578 0.6598 0.6598 1.2951 1.2951 1.3504 1.3504 1.4974 1.4974 1.5799 1.5799 1.9639 1.9639 2.0949 2.0949 2.9868 2.9868 3.0846 3.0846 3.4620 3.4620 3.5004 3.5004 3.6694 3.6694 3.7409 3.7409 4.2188 4.2188 4.3091 4.3091 9.5009 9.5009 9.6067 9.6067 10.0470 10.0470 10.1642 10.1642 10.9575 10.9575 11.0413 11.0413 13.4591 13.4592 k = 0.4375 0.7157 0.6086 ( 5930 PWs) bands (ev): -16.3540 -16.3540 -16.3481 -16.3481 -14.5409 -14.5409 -14.4652 -14.4652 -13.8620 -13.8620 -13.8317 -13.8317 -13.4688 -13.4688 -13.4369 -13.4369 -4.8395 -4.8395 -4.7826 -4.7826 -3.8526 -3.8526 -3.7347 -3.7347 -1.6551 -1.6551 -1.5404 -1.5404 -0.8904 -0.8904 -0.7666 -0.7666 0.0612 0.0612 0.0757 0.0757 0.6622 0.6622 0.6635 0.6635 1.3114 1.3114 1.3708 1.3708 1.4831 1.4831 1.5633 1.5633 1.9781 1.9781 2.0785 2.0785 3.0016 3.0016 3.0745 3.0745 3.4858 3.4858 3.5153 3.5153 3.6614 3.6614 3.7160 3.7160 4.2444 4.2444 4.3135 4.3135 9.5108 9.5108 9.5930 9.5930 10.0433 10.0433 10.1329 10.1329 10.9701 10.9701 11.0333 11.0333 13.4560 13.4563 k = 0.4583 0.7157 0.6086 ( 5936 PWs) bands (ev): -16.3528 -16.3528 -16.3488 -16.3488 -14.5298 -14.5298 -14.4793 -14.4793 -13.8581 -13.8581 -13.8379 -13.8379 -13.4610 -13.4610 -13.4398 -13.4398 -4.8125 -4.8125 -4.7724 -4.7724 -3.8586 -3.8586 -3.7780 -3.7780 -1.6382 -1.6382 -1.5619 -1.5619 -0.8692 -0.8692 -0.7863 -0.7863 0.0615 0.0615 0.0712 0.0712 0.6652 0.6652 0.6663 0.6663 1.3283 1.3283 1.3796 1.3796 1.4796 1.4796 1.5448 1.5448 1.9937 1.9937 2.0617 2.0617 3.0155 3.0155 3.0638 3.0638 3.5073 3.5073 3.5269 3.5269 3.6557 3.6557 3.6928 3.6928 4.2666 4.2666 4.3134 4.3134 9.5219 9.5219 9.5782 9.5782 10.0454 10.0454 10.1062 10.1062 10.9823 10.9823 11.0245 11.0245 13.4534 13.4542 k = 0.4792 0.7157 0.6086 ( 5934 PWs) bands (ev): -16.3517 -16.3517 -16.3497 -16.3497 -14.5181 -14.5181 -14.4928 -14.4928 -13.8538 -13.8538 -13.8436 -13.8436 -13.4542 -13.4542 -13.4436 -13.4436 -4.7913 -4.7913 -4.7704 -4.7704 -3.8541 -3.8541 -3.8131 -3.8131 -1.6205 -1.6205 -1.5824 -1.5824 -0.8481 -0.8481 -0.8066 -0.8066 0.0626 0.0626 0.0675 0.0675 0.6672 0.6672 0.6678 0.6678 1.3455 1.3455 1.3750 1.3750 1.4888 1.4888 1.5252 1.5252 2.0102 2.0102 2.0445 2.0445 3.0286 3.0286 3.0527 3.0527 3.5239 3.5239 3.5336 3.5336 3.6544 3.6544 3.6733 3.6733 4.2850 4.2850 4.3086 4.3086 9.5344 9.5344 9.5630 9.5630 10.0532 10.0532 10.0838 10.0838 10.9938 10.9938 11.0150 11.0150 13.4517 13.4518 k = 0.5000 0.7157 0.6086 ( 5940 PWs) bands (ev): -16.3506 -16.3506 -16.3506 -16.3506 -14.5057 -14.5057 -14.5057 -14.5057 -13.8489 -13.8489 -13.8489 -13.8489 -13.4484 -13.4484 -13.4484 -13.4484 -4.7769 -4.7769 -4.7769 -4.7769 -3.8388 -3.8388 -3.8388 -3.8388 -1.6020 -1.6020 -1.6020 -1.6020 -0.8272 -0.8272 -0.8272 -0.8272 0.0646 0.0646 0.0646 0.0646 0.6681 0.6681 0.6681 0.6681 1.3619 1.3619 1.3619 1.3619 1.5057 1.5057 1.5057 1.5057 2.0272 2.0272 2.0272 2.0272 3.0409 3.0409 3.0409 3.0409 3.5331 3.5331 3.5331 3.5331 3.6599 3.6599 3.6599 3.6599 4.2991 4.2991 4.2991 4.2991 9.5482 9.5482 9.5482 9.5482 10.0661 10.0661 10.0661 10.0661 11.0048 11.0048 11.0048 11.0048 13.4512 13.4512 k = 0.5000 0.7157 0.6086 ( 5940 PWs) bands (ev): -16.3506 -16.3506 -16.3506 -16.3506 -14.5057 -14.5057 -14.5057 -14.5057 -13.8489 -13.8489 -13.8489 -13.8489 -13.4484 -13.4484 -13.4484 -13.4484 -4.7769 -4.7769 -4.7769 -4.7769 -3.8388 -3.8388 -3.8388 -3.8388 -1.6020 -1.6020 -1.6020 -1.6020 -0.8272 -0.8272 -0.8272 -0.8272 0.0646 0.0646 0.0646 0.0646 0.6681 0.6681 0.6681 0.6681 1.3619 1.3619 1.3619 1.3619 1.5057 1.5057 1.5057 1.5057 2.0272 2.0272 2.0272 2.0272 3.0409 3.0409 3.0409 3.0409 3.5331 3.5331 3.5331 3.5331 3.6599 3.6599 3.6599 3.6599 4.2991 4.2991 4.2991 4.2991 9.5482 9.5482 9.5482 9.5482 10.0661 10.0661 10.0661 10.0661 11.0048 11.0048 11.0048 11.0048 13.4512 13.4512 k = 0.5000 0.7281 0.5941 ( 5936 PWs) bands (ev): -16.3510 -16.3510 -16.3507 -16.3507 -14.5057 -14.5057 -14.5055 -14.5055 -13.8489 -13.8489 -13.8488 -13.8488 -13.4484 -13.4484 -13.4482 -13.4482 -4.7771 -4.7771 -4.7770 -4.7770 -3.8388 -3.8388 -3.8384 -3.8384 -1.6029 -1.6029 -1.6019 -1.6019 -0.8283 -0.8283 -0.8270 -0.8270 0.0636 0.0636 0.0641 0.0641 0.6680 0.6680 0.6692 0.6692 1.3603 1.3603 1.3613 1.3613 1.5083 1.5083 1.5083 1.5083 2.0276 2.0276 2.0277 2.0277 3.0403 3.0403 3.0405 3.0405 3.5325 3.5325 3.5330 3.5330 3.6593 3.6593 3.6598 3.6598 4.2987 4.2987 4.3000 4.3000 9.5416 9.5416 9.5526 9.5526 10.0596 10.0596 10.0730 10.0730 11.0039 11.0039 11.0057 11.0057 13.4516 13.4516 k = 0.5000 0.7404 0.5796 ( 5938 PWs) bands (ev): -16.3517 -16.3517 -16.3512 -16.3512 -14.5054 -14.5054 -14.5051 -14.5051 -13.8488 -13.8488 -13.8486 -13.8486 -13.4480 -13.4480 -13.4477 -13.4477 -4.7776 -4.7776 -4.7773 -4.7773 -3.8384 -3.8384 -3.8376 -3.8376 -1.6047 -1.6047 -1.6027 -1.6027 -0.8303 -0.8303 -0.8277 -0.8277 0.0610 0.0610 0.0619 0.0619 0.6689 0.6689 0.6714 0.6714 1.3569 1.3569 1.3588 1.3588 1.5157 1.5157 1.5159 1.5159 2.0289 2.0289 2.0290 2.0290 3.0385 3.0385 3.0390 3.0390 3.5312 3.5312 3.5322 3.5322 3.6579 3.6579 3.6588 3.6588 4.2987 4.2987 4.3013 4.3013 9.5330 9.5330 9.5546 9.5546 10.0538 10.0538 10.0802 10.0802 11.0032 11.0032 11.0067 11.0067 13.4527 13.4527 k = 0.5000 0.7528 0.5650 ( 5938 PWs) bands (ev): -16.3527 -16.3527 -16.3520 -16.3520 -14.5049 -14.5049 -14.5044 -14.5044 -13.8485 -13.8485 -13.8482 -13.8482 -13.4474 -13.4474 -13.4469 -13.4469 -4.7785 -4.7785 -4.7781 -4.7781 -3.8375 -3.8375 -3.8363 -3.8363 -1.6074 -1.6074 -1.6044 -1.6044 -0.8333 -0.8333 -0.8293 -0.8293 0.0571 0.0571 0.0584 0.0584 0.6705 0.6705 0.6744 0.6744 1.3523 1.3523 1.3550 1.3550 1.5274 1.5274 1.5278 1.5278 2.0309 2.0309 2.0311 2.0311 3.0357 3.0357 3.0364 3.0364 3.5292 3.5292 3.5306 3.5306 3.6558 3.6558 3.6572 3.6572 4.2992 4.2992 4.3031 4.3031 9.5225 9.5225 9.5541 9.5541 10.0487 10.0487 10.0875 10.0875 11.0027 11.0027 11.0079 11.0079 13.4544 13.4547 k = 0.5000 0.7651 0.5505 ( 5936 PWs) bands (ev): -16.3542 -16.3542 -16.3532 -16.3532 -14.5041 -14.5041 -14.5034 -14.5034 -13.8481 -13.8481 -13.8477 -13.8477 -13.4464 -13.4464 -13.4458 -13.4458 -4.7798 -4.7798 -4.7792 -4.7792 -3.8361 -3.8361 -3.8346 -3.8346 -1.6108 -1.6108 -1.6068 -1.6068 -0.8372 -0.8372 -0.8319 -0.8319 0.0521 0.0521 0.0537 0.0537 0.6728 0.6728 0.6780 0.6780 1.3472 1.3472 1.3507 1.3507 1.5427 1.5427 1.5433 1.5433 2.0337 2.0337 2.0339 2.0339 3.0319 3.0319 3.0328 3.0328 3.5264 3.5264 3.5283 3.5283 3.6530 3.6530 3.6549 3.6549 4.3002 4.3002 4.3053 4.3053 9.5103 9.5103 9.5511 9.5511 10.0444 10.0444 10.0948 10.0948 11.0022 11.0022 11.0093 11.0093 13.4569 13.4572 k = 0.5000 0.7651 0.5505 ( 5936 PWs) bands (ev): -16.3542 -16.3542 -16.3532 -16.3532 -14.5041 -14.5041 -14.5034 -14.5034 -13.8481 -13.8481 -13.8477 -13.8477 -13.4464 -13.4464 -13.4458 -13.4458 -4.7798 -4.7798 -4.7792 -4.7792 -3.8361 -3.8361 -3.8346 -3.8346 -1.6108 -1.6108 -1.6068 -1.6068 -0.8372 -0.8372 -0.8319 -0.8319 0.0521 0.0521 0.0537 0.0537 0.6728 0.6728 0.6780 0.6780 1.3472 1.3472 1.3507 1.3507 1.5427 1.5427 1.5433 1.5433 2.0337 2.0337 2.0339 2.0339 3.0319 3.0319 3.0328 3.0328 3.5264 3.5264 3.5283 3.5283 3.6530 3.6530 3.6549 3.6549 4.3002 4.3002 4.3053 4.3053 9.5103 9.5103 9.5511 9.5511 10.0444 10.0444 10.0948 10.0948 11.0022 11.0022 11.0093 11.0093 13.4571 13.4573 k = 0.5000 0.7634 0.5295 ( 5934 PWs) bands (ev): -16.3550 -16.3550 -16.3541 -16.3541 -14.5025 -14.5025 -14.5019 -14.5019 -13.8491 -13.8491 -13.8487 -13.8487 -13.4456 -13.4456 -13.4450 -13.4450 -4.7768 -4.7768 -4.7766 -4.7766 -3.8395 -3.8395 -3.8375 -3.8375 -1.6130 -1.6130 -1.6089 -1.6089 -0.8365 -0.8365 -0.8315 -0.8315 0.0463 0.0463 0.0477 0.0477 0.6822 0.6822 0.6871 0.6871 1.3246 1.3246 1.3278 1.3278 1.5658 1.5658 1.5672 1.5672 2.0368 2.0368 2.0368 2.0368 3.0352 3.0352 3.0369 3.0369 3.5194 3.5194 3.5216 3.5216 3.6494 3.6494 3.6512 3.6512 4.2992 4.2992 4.3031 4.3031 9.4857 9.4857 9.5460 9.5460 10.0450 10.0450 10.1105 10.1105 11.0129 11.0129 11.0132 11.0132 13.4560 13.4563 k = 0.5000 0.7617 0.5085 ( 5934 PWs) bands (ev): -16.3562 -16.3562 -16.3553 -16.3553 -14.5004 -14.5004 -14.4998 -14.4998 -13.8504 -13.8504 -13.8499 -13.8499 -13.4446 -13.4446 -13.4441 -13.4441 -4.7740 -4.7740 -4.7739 -4.7739 -3.8428 -3.8428 -3.8403 -3.8403 -1.6159 -1.6159 -1.6117 -1.6117 -0.8360 -0.8360 -0.8313 -0.8313 0.0392 0.0392 0.0403 0.0403 0.6942 0.6942 0.6988 0.6988 1.2996 1.2996 1.3027 1.3027 1.5916 1.5916 1.5935 1.5935 2.0404 2.0404 2.0406 2.0406 3.0391 3.0391 3.0416 3.0416 3.5109 3.5109 3.5134 3.5134 3.6447 3.6447 3.6465 3.6465 4.2977 4.2977 4.3004 4.3004 9.4588 9.4588 9.5353 9.5353 10.0496 10.0496 10.1270 10.1270 11.0189 11.0189 11.0262 11.0262 13.4555 13.4558 k = 0.5000 0.7600 0.4876 ( 5938 PWs) bands (ev): -16.3577 -16.3577 -16.3568 -16.3568 -14.4976 -14.4976 -14.4972 -14.4972 -13.8519 -13.8519 -13.8514 -13.8514 -13.4435 -13.4435 -13.4430 -13.4430 -4.7715 -4.7715 -4.7710 -4.7710 -3.8459 -3.8459 -3.8431 -3.8431 -1.6195 -1.6195 -1.6152 -1.6152 -0.8356 -0.8356 -0.8312 -0.8312 0.0311 0.0311 0.0320 0.0320 0.7086 0.7086 0.7128 0.7128 1.2734 1.2734 1.2766 1.2766 1.6184 1.6184 1.6209 1.6209 2.0448 2.0448 2.0452 2.0452 3.0436 3.0436 3.0468 3.0468 3.5010 3.5010 3.5037 3.5037 3.6392 3.6392 3.6409 3.6409 4.2958 4.2958 4.2974 4.2974 9.4303 9.4303 9.5196 9.5196 10.0577 10.0577 10.1436 10.1436 11.0270 11.0270 11.0412 11.0412 13.4554 13.4556 k = 0.5000 0.7583 0.4666 ( 5946 PWs) bands (ev): -16.3595 -16.3595 -16.3587 -16.3587 -14.4943 -14.4943 -14.4939 -14.4939 -13.8535 -13.8535 -13.8530 -13.8530 -13.4423 -13.4423 -13.4418 -13.4418 -4.7690 -4.7690 -4.7682 -4.7682 -3.8489 -3.8489 -3.8456 -3.8456 -1.6238 -1.6238 -1.6194 -1.6194 -0.8353 -0.8353 -0.8312 -0.8312 0.0222 0.0222 0.0229 0.0229 0.7249 0.7249 0.7289 0.7289 1.2470 1.2470 1.2504 1.2504 1.6456 1.6456 1.6486 1.6486 2.0499 2.0499 2.0505 2.0505 3.0484 3.0484 3.0526 3.0526 3.4897 3.4897 3.4926 3.4926 3.6328 3.6328 3.6343 3.6343 4.2935 4.2935 4.2941 4.2941 9.4008 9.4008 9.4996 9.4996 10.0686 10.0686 10.1601 10.1601 11.0373 11.0373 11.0578 11.0578 13.4559 13.4560 k = 0.5000 0.7566 0.4456 ( 5934 PWs) bands (ev): -16.3616 -16.3616 -16.3608 -16.3608 -14.4905 -14.4905 -14.4901 -14.4901 -13.8554 -13.8554 -13.8549 -13.8549 -13.4410 -13.4410 -13.4406 -13.4406 -4.7666 -4.7666 -4.7656 -4.7656 -3.8517 -3.8517 -3.8480 -3.8480 -1.6286 -1.6286 -1.6242 -1.6242 -0.8353 -0.8353 -0.8315 -0.8315 0.0128 0.0128 0.0133 0.0133 0.7429 0.7429 0.7468 0.7468 1.2208 1.2208 1.2244 1.2244 1.6726 1.6726 1.6762 1.6762 2.0557 2.0557 2.0565 2.0565 3.0536 3.0536 3.0586 3.0586 3.4772 3.4772 3.4802 3.4802 3.6256 3.6256 3.6270 3.6270 4.2905 4.2905 4.2909 4.2909 9.3706 9.3706 9.4763 9.4763 10.0815 10.0815 10.1761 10.1761 11.0494 11.0494 11.0759 11.0759 13.4569 13.4570 k = 0.5000 0.7549 0.4246 ( 5934 PWs) bands (ev): -16.3639 -16.3639 -16.3632 -16.3632 -14.4861 -14.4861 -14.4858 -14.4858 -13.8575 -13.8575 -13.8569 -13.8569 -13.4396 -13.4396 -13.4392 -13.4392 -4.7644 -4.7644 -4.7631 -4.7631 -3.8541 -3.8541 -3.8501 -3.8501 -1.6340 -1.6340 -1.6295 -1.6295 -0.8356 -0.8356 -0.8322 -0.8322 0.0032 0.0032 0.0035 0.0035 0.7621 0.7621 0.7660 0.7660 1.1951 1.1951 1.1991 1.1991 1.6991 1.6991 1.7033 1.7033 2.0621 2.0621 2.0632 2.0632 3.0590 3.0590 3.0649 3.0649 3.4636 3.4636 3.4667 3.4667 3.6178 3.6178 3.6189 3.6189 4.2869 4.2869 4.2880 4.2880 9.3402 9.3402 9.4504 9.4504 10.0957 10.0957 10.1914 10.1914 11.0633 11.0633 11.0951 11.0951 13.4584 13.4587 k = 0.5000 0.7532 0.4036 ( 5934 PWs) bands (ev): -16.3665 -16.3665 -16.3658 -16.3658 -14.4814 -14.4814 -14.4811 -14.4811 -13.8597 -13.8597 -13.8591 -13.8591 -13.4381 -13.4381 -13.4377 -13.4377 -4.7624 -4.7624 -4.7608 -4.7608 -3.8562 -3.8562 -3.8519 -3.8519 -1.6397 -1.6397 -1.6353 -1.6353 -0.8363 -0.8363 -0.8331 -0.8331 -0.0066 -0.0066 -0.0064 -0.0064 0.7823 0.7823 0.7862 0.7862 1.1703 1.1703 1.1748 1.1748 1.7250 1.7250 1.7298 1.7298 2.0691 2.0691 2.0704 2.0704 3.0644 3.0644 3.0712 3.0712 3.4490 3.4490 3.4522 3.4522 3.6095 3.6095 3.6104 3.6104 4.2831 4.2831 4.2850 4.2850 9.3099 9.3099 9.4227 9.4227 10.1107 10.1107 10.2059 10.2059 11.0788 11.0788 11.1153 11.1153 13.4607 13.4608 k = 0.5000 0.7515 0.3826 ( 5934 PWs) bands (ev): -16.3693 -16.3693 -16.3686 -16.3686 -14.4762 -14.4762 -14.4760 -14.4760 -13.8620 -13.8620 -13.8614 -13.8614 -13.4366 -13.4366 -13.4362 -13.4362 -4.7606 -4.7606 -4.7587 -4.7587 -3.8580 -3.8580 -3.8534 -3.8534 -1.6459 -1.6459 -1.6415 -1.6415 -0.8374 -0.8374 -0.8345 -0.8345 -0.0161 -0.0161 -0.0161 -0.0161 0.8028 0.8028 0.8069 0.8069 1.1466 1.1466 1.1517 1.1517 1.7499 1.7499 1.7554 1.7554 2.0766 2.0766 2.0783 2.0783 3.0697 3.0697 3.0775 3.0775 3.4335 3.4335 3.4367 3.4367 3.6008 3.6008 3.6015 3.6015 4.2794 4.2794 4.2819 4.2819 9.2798 9.2798 9.3936 9.3936 10.1260 10.1260 10.2194 10.2194 11.0956 11.0956 11.1361 11.1361 13.4634 13.4637 k = 0.5000 0.7498 0.3616 ( 5934 PWs) bands (ev): -16.3722 -16.3722 -16.3716 -16.3716 -14.4707 -14.4707 -14.4706 -14.4706 -13.8645 -13.8645 -13.8638 -13.8638 -13.4350 -13.4350 -13.4346 -13.4346 -4.7590 -4.7590 -4.7569 -4.7569 -3.8594 -3.8594 -3.8546 -3.8546 -1.6524 -1.6524 -1.6480 -1.6480 -0.8389 -0.8389 -0.8363 -0.8363 -0.0254 -0.0254 -0.0253 -0.0253 0.8233 0.8233 0.8278 0.8278 1.1244 1.1244 1.1303 1.1303 1.7738 1.7738 1.7799 1.7799 2.0847 2.0847 2.0866 2.0866 3.0748 3.0748 3.0836 3.0836 3.4172 3.4172 3.4204 3.4204 3.5920 3.5920 3.5925 3.5925 4.2757 4.2757 4.2787 4.2787 9.2503 9.2503 9.3637 9.3637 10.1413 10.1413 10.2320 10.2320 11.1135 11.1135 11.1574 11.1574 13.4671 13.4675 k = 0.5000 0.7481 0.3407 ( 5942 PWs) bands (ev): -16.3753 -16.3753 -16.3747 -16.3747 -14.4650 -14.4650 -14.4649 -14.4649 -13.8671 -13.8671 -13.8664 -13.8664 -13.4333 -13.4333 -13.4330 -13.4330 -4.7576 -4.7576 -4.7554 -4.7554 -3.8603 -3.8603 -3.8553 -3.8553 -1.6591 -1.6591 -1.6547 -1.6547 -0.8409 -0.8409 -0.8385 -0.8385 -0.0341 -0.0341 -0.0340 -0.0340 0.8429 0.8429 0.8480 0.8480 1.1043 1.1043 1.1112 1.1112 1.7966 1.7966 1.8033 1.8033 2.0932 2.0932 2.0954 2.0954 3.0795 3.0795 3.0893 3.0893 3.4003 3.4003 3.4035 3.4035 3.5832 3.5832 3.5836 3.5836 4.2721 4.2721 4.2754 4.2754 9.2216 9.2216 9.3334 9.3334 10.1562 10.1562 10.2436 10.2436 11.1323 11.1323 11.1788 11.1788 13.4714 13.4725 k = 0.5000 0.7464 0.3197 ( 5936 PWs) bands (ev): -16.3785 -16.3785 -16.3779 -16.3779 -14.4590 -14.4590 -14.4589 -14.4589 -13.8697 -13.8697 -13.8690 -13.8690 -13.4317 -13.4317 -13.4314 -13.4314 -4.7566 -4.7566 -4.7542 -4.7542 -3.8608 -3.8608 -3.8556 -3.8556 -1.6659 -1.6659 -1.6616 -1.6616 -0.8434 -0.8434 -0.8413 -0.8413 -0.0423 -0.0423 -0.0421 -0.0421 0.8608 0.8608 0.8668 0.8668 1.0870 1.0870 1.0951 1.0951 1.8182 1.8182 1.8255 1.8255 2.1021 2.1021 2.1045 2.1045 3.0836 3.0836 3.0944 3.0944 3.3830 3.3830 3.3861 3.3861 3.5747 3.5747 3.5750 3.5750 4.2687 4.2687 4.2723 4.2723 9.1936 9.1936 9.3030 9.3030 10.1707 10.1707 10.2542 10.2542 11.1518 11.1518 11.2002 11.2002 13.4767 13.4777 k = 0.5000 0.7447 0.2987 ( 5948 PWs) bands (ev): -16.3818 -16.3818 -16.3812 -16.3812 -14.4528 -14.4528 -14.4528 -14.4528 -13.8724 -13.8724 -13.8717 -13.8717 -13.4300 -13.4300 -13.4297 -13.4297 -4.7558 -4.7558 -4.7533 -4.7533 -3.8608 -3.8608 -3.8555 -3.8555 -1.6728 -1.6728 -1.6686 -1.6686 -0.8464 -0.8464 -0.8445 -0.8445 -0.0497 -0.0497 -0.0495 -0.0495 0.8759 0.8759 0.8829 0.8829 1.0735 1.0735 1.0831 1.0831 1.8385 1.8385 1.8463 1.8463 2.1112 2.1112 2.1137 2.1137 3.0871 3.0871 3.0989 3.0989 3.3652 3.3652 3.3684 3.3684 3.5666 3.5666 3.5669 3.5669 4.2655 4.2655 4.2692 4.2692 9.1667 9.1667 9.2728 9.2728 10.1846 10.1846 10.2639 10.2639 11.1717 11.1717 11.2212 11.2212 13.4827 13.4842 k = 0.5000 0.7430 0.2777 ( 5954 PWs) bands (ev): -16.3851 -16.3851 -16.3846 -16.3846 -14.4466 -14.4466 -14.4466 -14.4466 -13.8751 -13.8751 -13.8744 -13.8744 -13.4284 -13.4284 -13.4281 -13.4281 -4.7553 -4.7553 -4.7528 -4.7528 -3.8603 -3.8603 -3.8551 -3.8551 -1.6797 -1.6797 -1.6756 -1.6756 -0.8498 -0.8498 -0.8482 -0.8482 -0.0563 -0.0563 -0.0561 -0.0561 0.8867 0.8867 0.8947 0.8947 1.0653 1.0653 1.0762 1.0762 1.8575 1.8575 1.8657 1.8657 2.1205 2.1205 2.1231 2.1231 3.0898 3.0898 3.1025 3.1025 3.3474 3.3474 3.3504 3.3504 3.5592 3.5592 3.5595 3.5595 4.2624 4.2624 4.2662 4.2662 9.1409 9.1409 9.2431 9.2431 10.1978 10.1978 10.2727 10.2727 11.1918 11.1918 11.2418 11.2418 13.4901 13.4905 k = 0.5000 0.7413 0.2567 ( 5948 PWs) bands (ev): -16.3883 -16.3883 -16.3879 -16.3879 -14.4403 -14.4403 -14.4403 -14.4403 -13.8778 -13.8778 -13.8771 -13.8771 -13.4267 -13.4267 -13.4265 -13.4265 -4.7552 -4.7552 -4.7525 -4.7525 -3.8594 -3.8594 -3.8542 -3.8542 -1.6865 -1.6865 -1.6825 -1.6825 -0.8538 -0.8538 -0.8524 -0.8524 -0.0621 -0.0621 -0.0619 -0.0619 0.8923 0.8923 0.9009 0.9009 1.0638 1.0638 1.0756 1.0756 1.8752 1.8752 1.8837 1.8837 2.1297 2.1297 2.1323 2.1323 3.0916 3.0916 3.1052 3.1052 3.3295 3.3295 3.3325 3.3325 3.5525 3.5525 3.5529 3.5529 4.2596 4.2596 4.2634 4.2634 9.1163 9.1163 9.2141 9.2141 10.2103 10.2103 10.2805 10.2805 11.2120 11.2120 11.2618 11.2618 13.4976 13.4985 k = 0.5000 0.7396 0.2357 ( 5950 PWs) bands (ev): -16.3916 -16.3916 -16.3912 -16.3912 -14.4341 -14.4341 -14.4341 -14.4341 -13.8805 -13.8805 -13.8798 -13.8798 -13.4251 -13.4251 -13.4249 -13.4249 -4.7552 -4.7552 -4.7526 -4.7526 -3.8581 -3.8581 -3.8529 -3.8529 -1.6931 -1.6931 -1.6893 -1.6893 -0.8582 -0.8582 -0.8570 -0.8570 -0.0671 -0.0671 -0.0669 -0.0669 0.8924 0.8924 0.9010 0.9010 1.0692 1.0692 1.0810 1.0810 1.8915 1.8915 1.9002 1.9002 2.1388 2.1388 2.1414 2.1414 3.0925 3.0925 3.1069 3.1069 3.3119 3.3119 3.3148 3.3148 3.5468 3.5468 3.5474 3.5474 4.2570 4.2570 4.2608 4.2608 9.0931 9.0931 9.1859 9.1859 10.2220 10.2220 10.2875 10.2875 11.2320 11.2320 11.2810 11.2810 13.5063 13.5074 k = 0.5000 0.7378 0.2147 ( 5954 PWs) bands (ev): -16.3948 -16.3948 -16.3944 -16.3944 -14.4279 -14.4279 -14.4279 -14.4279 -13.8832 -13.8832 -13.8825 -13.8825 -13.4236 -13.4236 -13.4234 -13.4234 -4.7556 -4.7556 -4.7530 -4.7530 -3.8564 -3.8564 -3.8514 -3.8514 -1.6996 -1.6996 -1.6959 -1.6959 -0.8629 -0.8629 -0.8619 -0.8619 -0.0713 -0.0713 -0.0711 -0.0711 0.8881 0.8881 0.8960 0.8960 1.0802 1.0802 1.0916 1.0916 1.9066 1.9066 1.9153 1.9153 2.1476 2.1476 2.1501 2.1501 3.0925 3.0925 3.1075 3.1075 3.2946 3.2946 3.2974 3.2974 3.5422 3.5422 3.5428 3.5428 4.2547 4.2547 4.2583 4.2583 9.0712 9.0712 9.1587 9.1587 10.2330 10.2330 10.2937 10.2937 11.2516 11.2516 11.2992 11.2992 13.5159 13.5172 k = 0.5000 0.7361 0.1937 ( 5950 PWs) bands (ev): -16.3979 -16.3979 -16.3975 -16.3975 -14.4219 -14.4219 -14.4219 -14.4219 -13.8858 -13.8858 -13.8851 -13.8851 -13.4221 -13.4221 -13.4219 -13.4219 -4.7561 -4.7561 -4.7536 -4.7536 -3.8544 -3.8544 -3.8495 -3.8495 -1.7057 -1.7057 -1.7023 -1.7023 -0.8679 -0.8679 -0.8670 -0.8670 -0.0747 -0.0747 -0.0746 -0.0746 0.8808 0.8808 0.8878 0.8878 1.0950 1.0950 1.1057 1.1057 1.9203 1.9203 1.9290 1.9290 2.1561 2.1561 2.1583 2.1583 3.0917 3.0917 3.1071 3.1071 3.2778 3.2778 3.2805 3.2805 3.5385 3.5385 3.5393 3.5393 4.2526 4.2526 4.2561 4.2561 9.0509 9.0509 9.1326 9.1326 10.2432 10.2432 10.2992 10.2992 11.2707 11.2707 11.3164 11.3164 13.5265 13.5276 k = 0.5000 0.7344 0.1728 ( 5948 PWs) bands (ev): -16.4008 -16.4008 -16.4005 -16.4005 -14.4161 -14.4161 -14.4161 -14.4161 -13.8883 -13.8883 -13.8876 -13.8876 -13.4206 -13.4206 -13.4205 -13.4205 -4.7569 -4.7569 -4.7544 -4.7544 -3.8521 -3.8521 -3.8474 -3.8474 -1.7116 -1.7116 -1.7084 -1.7084 -0.8731 -0.8731 -0.8723 -0.8723 -0.0774 -0.0774 -0.0773 -0.0773 0.8717 0.8717 0.8778 0.8778 1.1120 1.1120 1.1218 1.1218 1.9328 1.9328 1.9413 1.9413 2.1640 2.1640 2.1660 2.1660 3.0901 3.0901 3.1056 3.1056 3.2618 3.2618 3.2644 3.2644 3.5359 3.5359 3.5368 3.5368 4.2508 4.2508 4.2540 4.2540 9.0321 9.0321 9.1079 9.1079 10.2527 10.2527 10.3039 10.3039 11.2891 11.2891 11.3325 11.3325 13.5369 13.5386 k = 0.5000 0.7327 0.1518 ( 5948 PWs) bands (ev): -16.4036 -16.4036 -16.4033 -16.4033 -14.4106 -14.4106 -14.4105 -14.4105 -13.8906 -13.8906 -13.8900 -13.8900 -13.4193 -13.4193 -13.4192 -13.4192 -4.7577 -4.7577 -4.7554 -4.7554 -3.8497 -3.8497 -3.8452 -3.8452 -1.7171 -1.7171 -1.7141 -1.7141 -0.8783 -0.8783 -0.8777 -0.8777 -0.0795 -0.0795 -0.0794 -0.0794 0.8619 0.8619 0.8672 0.8672 1.1298 1.1298 1.1388 1.1388 1.9441 1.9441 1.9522 1.9522 2.1712 2.1712 2.1730 2.1730 3.0879 3.0879 3.1033 3.1033 3.2468 3.2468 3.2492 3.2492 3.5342 3.5342 3.5352 3.5352 4.2492 4.2492 4.2522 4.2522 9.0150 9.0150 9.0845 9.0845 10.2615 10.2615 10.3079 10.3079 11.3067 11.3067 11.3472 11.3472 13.5486 13.5492 k = 0.5000 0.7310 0.1308 ( 5952 PWs) bands (ev): -16.4062 -16.4062 -16.4060 -16.4060 -14.4054 -14.4054 -14.4053 -14.4053 -13.8929 -13.8929 -13.8923 -13.8923 -13.4181 -13.4181 -13.4180 -13.4180 -4.7587 -4.7587 -4.7565 -4.7565 -3.8471 -3.8471 -3.8429 -3.8429 -1.7221 -1.7221 -1.7194 -1.7194 -0.8836 -0.8836 -0.8831 -0.8831 -0.0810 -0.0810 -0.0810 -0.0810 0.8521 0.8521 0.8566 0.8566 1.1476 1.1476 1.1558 1.1558 1.9541 1.9541 1.9617 1.9617 2.1778 2.1778 2.1793 2.1793 3.0853 3.0853 3.1002 3.1002 3.2327 3.2327 3.2351 3.2351 3.5333 3.5333 3.5344 3.5344 4.2478 4.2478 4.2505 4.2505 8.9996 8.9996 9.0626 9.0626 10.2695 10.2695 10.3112 10.3112 11.3232 11.3232 11.3606 11.3606 13.5598 13.5615 k = 0.5000 0.7293 0.1098 ( 5950 PWs) bands (ev): -16.4086 -16.4086 -16.4084 -16.4084 -14.4006 -14.4006 -14.4005 -14.4005 -13.8949 -13.8949 -13.8944 -13.8944 -13.4169 -13.4169 -13.4168 -13.4168 -4.7597 -4.7597 -4.7577 -4.7577 -3.8444 -3.8444 -3.8407 -3.8407 -1.7267 -1.7267 -1.7242 -1.7242 -0.8887 -0.8887 -0.8882 -0.8882 -0.0821 -0.0821 -0.0820 -0.0820 0.8426 0.8426 0.8465 0.8465 1.1649 1.1649 1.1722 1.1722 1.9631 1.9631 1.9701 1.9701 2.1837 2.1837 2.1848 2.1848 3.0824 3.0824 3.0966 3.0966 3.2200 3.2200 3.2221 3.2221 3.5331 3.5331 3.5342 3.5342 4.2467 4.2467 4.2491 4.2491 8.9860 8.9860 9.0424 9.0424 10.2769 10.2769 10.3138 10.3138 11.3386 11.3386 11.3726 11.3726 13.5721 13.5730 k = 0.5000 0.7276 0.0888 ( 5952 PWs) bands (ev): -16.4108 -16.4108 -16.4106 -16.4106 -14.3962 -14.3962 -14.3962 -14.3962 -13.8968 -13.8968 -13.8964 -13.8964 -13.4159 -13.4159 -13.4158 -13.4158 -4.7607 -4.7607 -4.7589 -4.7589 -3.8418 -3.8418 -3.8385 -3.8385 -1.7308 -1.7308 -1.7286 -1.7286 -0.8935 -0.8935 -0.8931 -0.8931 -0.0827 -0.0827 -0.0827 -0.0827 0.8339 0.8339 0.8372 0.8372 1.1811 1.1811 1.1876 1.1876 1.9708 1.9708 1.9772 1.9772 2.1887 2.1887 2.1896 2.1896 3.0794 3.0794 3.0925 3.0925 3.2085 3.2085 3.2105 3.2105 3.5335 3.5335 3.5345 3.5345 4.2457 4.2457 4.2478 4.2478 8.9742 8.9742 9.0239 9.0239 10.2836 10.2836 10.3158 10.3158 11.3528 11.3528 11.3831 11.3831 13.5833 13.5842 k = 0.5000 0.7259 0.0678 ( 5956 PWs) bands (ev): -16.4128 -16.4128 -16.4126 -16.4126 -14.3924 -14.3924 -14.3923 -14.3923 -13.8985 -13.8985 -13.8981 -13.8981 -13.4150 -13.4150 -13.4149 -13.4149 -4.7617 -4.7617 -4.7601 -4.7601 -3.8394 -3.8394 -3.8364 -3.8364 -1.7344 -1.7344 -1.7325 -1.7325 -0.8979 -0.8979 -0.8976 -0.8976 -0.0831 -0.0831 -0.0831 -0.0831 0.8261 0.8261 0.8289 0.8289 1.1959 1.1959 1.2016 1.2016 1.9775 1.9775 1.9831 1.9831 2.1930 2.1930 2.1937 2.1937 3.0765 3.0765 3.0883 3.0883 3.1985 3.1985 3.2003 3.2003 3.5342 3.5342 3.5352 3.5352 4.2449 4.2449 4.2467 4.2467 8.9644 8.9644 9.0071 9.0071 10.2897 10.2897 10.3172 10.3172 11.3657 11.3657 11.3920 11.3920 13.5942 13.5955 k = 0.5000 0.7242 0.0468 ( 5946 PWs) bands (ev): -16.4144 -16.4144 -16.4143 -16.4143 -14.3890 -14.3890 -14.3889 -14.3889 -13.8999 -13.8999 -13.8996 -13.8996 -13.4142 -13.4142 -13.4142 -13.4142 -4.7626 -4.7626 -4.7612 -4.7612 -3.8371 -3.8371 -3.8346 -3.8346 -1.7375 -1.7375 -1.7358 -1.7358 -0.9019 -0.9019 -0.9017 -0.9017 -0.0833 -0.0833 -0.0833 -0.0833 0.8193 0.8193 0.8216 0.8216 1.2090 1.2090 1.2138 1.2138 1.9832 1.9832 1.9879 1.9879 2.1966 2.1966 2.1970 2.1970 3.0738 3.0738 3.0841 3.0841 3.1900 3.1900 3.1916 3.1916 3.5351 3.5351 3.5360 3.5360 4.2443 4.2443 4.2458 4.2458 8.9565 8.9565 8.9923 8.9923 10.2951 10.2951 10.3181 10.3181 11.3771 11.3771 11.3993 11.3993 13.6045 13.6053 k = 0.5000 0.7225 0.0259 ( 5950 PWs) bands (ev): -16.4158 -16.4158 -16.4157 -16.4157 -14.3862 -14.3862 -14.3861 -14.3861 -13.9011 -13.9011 -13.9009 -13.9009 -13.4136 -13.4136 -13.4135 -13.4135 -4.7633 -4.7633 -4.7622 -4.7622 -3.8351 -3.8351 -3.8331 -3.8331 -1.7400 -1.7400 -1.7386 -1.7386 -0.9053 -0.9053 -0.9051 -0.9051 -0.0833 -0.0833 -0.0833 -0.0833 0.8137 0.8137 0.8155 0.8155 1.2202 1.2202 1.2241 1.2241 1.9878 1.9878 1.9917 1.9917 2.1994 2.1994 2.1997 2.1997 3.0716 3.0716 3.0801 3.0801 3.1831 3.1831 3.1845 3.1845 3.5361 3.5361 3.5368 3.5368 4.2439 4.2439 4.2451 4.2451 8.9507 8.9507 8.9794 8.9794 10.3000 10.3000 10.3183 10.3183 11.3869 11.3869 11.4049 11.4049 13.6137 13.6146 k = 0.5000 0.7208 0.0049 ( 5958 PWs) bands (ev): -16.4169 -16.4169 -16.4168 -16.4168 -14.3839 -14.3839 -14.3839 -14.3839 -13.9021 -13.9021 -13.9019 -13.9019 -13.4131 -13.4131 -13.4130 -13.4130 -4.7639 -4.7639 -4.7631 -4.7631 -3.8334 -3.8334 -3.8319 -3.8319 -1.7419 -1.7419 -1.7409 -1.7409 -0.9080 -0.9080 -0.9078 -0.9078 -0.0832 -0.0832 -0.0832 -0.0832 0.8094 0.8094 0.8107 0.8107 1.2292 1.2292 1.2322 1.2322 1.9915 1.9915 1.9944 1.9944 2.2015 2.2015 2.2017 2.2017 3.0700 3.0700 3.0765 3.0765 3.1778 3.1778 3.1789 3.1789 3.5370 3.5370 3.5376 3.5376 4.2435 4.2435 4.2445 4.2445 8.9469 8.9469 8.9685 8.9685 10.3043 10.3043 10.3180 10.3180 11.3952 11.3952 11.4087 11.4087 13.6214 13.6221 k = 0.5000 0.7191-0.0161 ( 5962 PWs) bands (ev): -16.4176 -16.4176 -16.4176 -16.4176 -14.3823 -14.3823 -14.3823 -14.3823 -13.9027 -13.9027 -13.9026 -13.9026 -13.4127 -13.4127 -13.4127 -13.4127 -4.7643 -4.7643 -4.7637 -4.7637 -3.8321 -3.8321 -3.8310 -3.8310 -1.7432 -1.7432 -1.7425 -1.7425 -0.9100 -0.9100 -0.9099 -0.9099 -0.0832 -0.0832 -0.0831 -0.0831 0.8063 0.8063 0.8071 0.8071 1.2359 1.2359 1.2379 1.2379 1.9942 1.9942 1.9962 1.9962 2.2030 2.2030 2.2031 2.2031 3.0691 3.0691 3.0735 3.0735 3.1740 3.1740 3.1748 3.1748 3.5377 3.5377 3.5382 3.5382 4.2434 4.2434 4.2440 4.2440 8.9452 8.9452 8.9596 8.9596 10.3080 10.3080 10.3171 10.3171 11.4018 11.4018 11.4109 11.4109 13.6271 13.6275 k = 0.5000 0.7174-0.0371 ( 5962 PWs) bands (ev): -16.4181 -16.4181 -16.4181 -16.4181 -14.3813 -14.3813 -14.3813 -14.3813 -13.9031 -13.9031 -13.9031 -13.9031 -13.4125 -13.4125 -13.4125 -13.4125 -4.7645 -4.7645 -4.7642 -4.7642 -3.8312 -3.8312 -3.8307 -3.8307 -1.7439 -1.7439 -1.7436 -1.7436 -0.9112 -0.9112 -0.9111 -0.9111 -0.0831 -0.0831 -0.0831 -0.0831 0.8045 0.8045 0.8049 0.8049 1.2402 1.2402 1.2412 1.2412 1.9960 1.9960 1.9970 1.9970 2.2039 2.2039 2.2040 2.2040 3.0690 3.0690 3.0712 3.0712 3.1719 3.1719 3.1723 3.1723 3.5383 3.5383 3.5385 3.5385 4.2433 4.2433 4.2436 4.2436 8.9456 8.9456 8.9528 8.9528 10.3111 10.3111 10.3156 10.3156 11.4067 11.4067 11.4113 11.4113 13.6308 13.6309 k = 0.5000 0.7157-0.0581 ( 5968 PWs) bands (ev): -16.4182 -16.4182 -16.4182 -16.4182 -14.3810 -14.3810 -14.3810 -14.3810 -13.9032 -13.9032 -13.9032 -13.9032 -13.4124 -13.4124 -13.4124 -13.4124 -4.7645 -4.7645 -4.7645 -4.7645 -3.8307 -3.8307 -3.8307 -3.8307 -1.7441 -1.7441 -1.7441 -1.7441 -0.9116 -0.9116 -0.9115 -0.9115 -0.0831 -0.0831 -0.0831 -0.0831 0.8040 0.8040 0.8040 0.8040 1.2420 1.2420 1.2420 1.2420 1.9970 1.9970 1.9970 1.9970 2.2042 2.2042 2.2042 2.2042 3.0696 3.0696 3.0696 3.0696 3.1713 3.1713 3.1713 3.1713 3.5385 3.5385 3.5385 3.5385 4.2434 4.2434 4.2434 4.2434 8.9482 8.9482 8.9482 8.9482 10.3136 10.3136 10.3136 10.3136 11.4099 11.4099 11.4099 11.4099 13.6321 13.6321 k = 0.5000 0.7157-0.0581 ( 5968 PWs) bands (ev): -16.4182 -16.4182 -16.4182 -16.4182 -14.3810 -14.3810 -14.3810 -14.3810 -13.9032 -13.9032 -13.9032 -13.9032 -13.4124 -13.4124 -13.4124 -13.4124 -4.7645 -4.7645 -4.7645 -4.7645 -3.8307 -3.8307 -3.8307 -3.8307 -1.7441 -1.7441 -1.7441 -1.7441 -0.9116 -0.9116 -0.9115 -0.9115 -0.0831 -0.0831 -0.0831 -0.0831 0.8040 0.8040 0.8040 0.8040 1.2420 1.2420 1.2420 1.2420 1.9970 1.9970 1.9970 1.9970 2.2042 2.2042 2.2042 2.2042 3.0696 3.0696 3.0696 3.0696 3.1713 3.1713 3.1713 3.1713 3.5385 3.5385 3.5385 3.5385 4.2434 4.2434 4.2434 4.2434 8.9482 8.9482 8.9482 8.9482 10.3136 10.3136 10.3136 10.3136 11.4099 11.4099 11.4099 11.4099 13.6321 13.6321 k = 0.4792 0.7157-0.0581 ( 5968 PWs) bands (ev): -16.4214 -16.4214 -16.4152 -16.4152 -14.3922 -14.3922 -14.3692 -14.3692 -13.9068 -13.9068 -13.8992 -13.8992 -13.4165 -13.4165 -13.4093 -13.4093 -4.7987 -4.7987 -4.7350 -4.7350 -3.8776 -3.8776 -3.7767 -3.7767 -1.7551 -1.7551 -1.7325 -1.7325 -0.9130 -0.9130 -0.9101 -0.9101 -0.0928 -0.0928 -0.0719 -0.0719 0.7829 0.7829 0.8245 0.8245 1.2361 1.2361 1.2481 1.2481 1.9765 1.9765 2.0170 2.0170 2.1989 2.1989 2.2077 2.2077 3.0480 3.0480 3.0880 3.0880 3.1548 3.1548 3.1872 3.1872 3.5181 3.5181 3.5613 3.5613 4.2256 4.2256 4.2576 4.2576 8.9388 8.9388 8.9597 8.9597 10.2942 10.2942 10.3364 10.3364 11.3907 11.3907 11.4291 11.4291 13.6310 13.6326 k = 0.4583 0.7157-0.0581 ( 5966 PWs) bands (ev): -16.4246 -16.4246 -16.4122 -16.4122 -14.4029 -14.4029 -14.3568 -14.3568 -13.9100 -13.9100 -13.8948 -13.8948 -13.4215 -13.4215 -13.4071 -13.4071 -4.8362 -4.8362 -4.7120 -4.7120 -3.9156 -3.9156 -3.7170 -3.7170 -1.7654 -1.7654 -1.7206 -1.7206 -0.9147 -0.9147 -0.9087 -0.9087 -0.1011 -0.1011 -0.0593 -0.0593 0.7615 0.7615 0.8442 0.8442 1.2305 1.2305 1.2544 1.2544 1.9558 1.9558 2.0360 2.0360 2.1918 2.1918 2.2099 2.2099 3.0249 3.0249 3.0954 3.0954 3.1457 3.1457 3.2005 3.2005 3.5000 3.5000 3.5861 3.5861 4.2040 4.2040 4.2680 4.2680 8.9316 8.9316 8.9735 8.9735 10.2782 10.2782 10.3623 10.3623 11.3719 11.3719 11.4482 11.4482 13.6291 13.6298 k = 0.4375 0.7157-0.0581 ( 5970 PWs) bands (ev): -16.4279 -16.4279 -16.4093 -16.4093 -14.4129 -14.4129 -14.3439 -14.3439 -13.9127 -13.9127 -13.8900 -13.8900 -13.4275 -13.4275 -13.4059 -13.4059 -4.8760 -4.8760 -4.6970 -4.6970 -3.9433 -3.9433 -3.6529 -3.6529 -1.7748 -1.7748 -1.7087 -1.7087 -0.9167 -0.9167 -0.9072 -0.9072 -0.1079 -0.1079 -0.0452 -0.0452 0.7400 0.7400 0.8627 0.8627 1.2248 1.2248 1.2610 1.2610 1.9352 1.9352 2.0534 2.0534 2.1828 2.1828 2.2108 2.2108 3.0009 3.0009 3.0824 3.0824 3.1540 3.1540 3.2104 3.2104 3.4843 3.4843 3.6125 3.6125 4.1790 4.1790 4.2749 4.2749 8.9261 8.9261 8.9895 8.9895 10.2659 10.2659 10.3911 10.3911 11.3534 11.3534 11.4671 11.4671 13.6265 13.6279 k = 0.4167 0.7157-0.0581 ( 5972 PWs) bands (ev): -16.4312 -16.4312 -16.4065 -16.4065 -14.4222 -14.4222 -14.3304 -14.3304 -13.9150 -13.9150 -13.8848 -13.8848 -13.4345 -13.4345 -13.4056 -13.4056 -4.9170 -4.9170 -4.6911 -4.6911 -3.9594 -3.9594 -3.5855 -3.5855 -1.7830 -1.7830 -1.6967 -1.6967 -0.9192 -0.9192 -0.9055 -0.9055 -0.1133 -0.1133 -0.0298 -0.0298 0.7186 0.7186 0.8798 0.8798 1.2192 1.2192 1.2677 1.2677 1.9151 1.9151 2.0679 2.0679 2.1729 2.1729 2.2110 2.2110 2.9765 2.9765 3.0587 3.0587 3.1708 3.1708 3.2169 3.2169 3.4708 3.4708 3.6401 3.6401 4.1509 4.1509 4.2786 4.2786 8.9222 8.9222 9.0073 9.0073 10.2574 10.2574 10.4229 10.4229 11.3355 11.3355 11.4855 11.4855 13.6237 13.6241 k = 0.3958 0.7157-0.0581 ( 5970 PWs) bands (ev): -16.4346 -16.4346 -16.4039 -16.4039 -14.4310 -14.4310 -14.3166 -14.3166 -13.9168 -13.9168 -13.8791 -13.8791 -13.4423 -13.4423 -13.4062 -13.4062 -4.9584 -4.9584 -4.6949 -4.6949 -3.9636 -3.9636 -3.5158 -3.5158 -1.7897 -1.7897 -1.6849 -1.6849 -0.9224 -0.9224 -0.9035 -0.9035 -0.1170 -0.1170 -0.0129 -0.0129 0.6975 0.6975 0.8953 0.8953 1.2134 1.2134 1.2745 1.2745 1.8959 1.8959 2.0765 2.0765 2.1644 2.1644 2.2108 2.2108 2.9515 2.9515 3.0318 3.0318 3.1892 3.1892 3.2199 3.2199 3.4592 3.4592 3.6685 3.6685 4.1200 4.1200 4.2792 4.2792 8.9194 8.9194 9.0268 9.0268 10.2529 10.2529 10.4573 10.4573 11.3182 11.3182 11.5033 11.5033 13.6205 13.6213 k = 0.3750 0.7157-0.0581 ( 5976 PWs) bands (ev): -16.4379 -16.4379 -16.4014 -16.4014 -14.4391 -14.4391 -14.3023 -14.3023 -13.9182 -13.9182 -13.8731 -13.8731 -13.4511 -13.4511 -13.4077 -13.4077 -4.9997 -4.9997 -4.7076 -4.7076 -3.9567 -3.9567 -3.4447 -3.4447 -1.7946 -1.7946 -1.6733 -1.6733 -0.9263 -0.9263 -0.9012 -0.9012 -0.1192 -0.1192 0.0055 0.0055 0.6768 0.6768 0.9088 0.9088 1.2073 1.2073 1.2810 1.2810 1.8779 1.8779 2.0745 2.0745 2.1617 2.1617 2.2104 2.2104 2.9263 2.9263 3.0042 3.0042 3.2067 3.2067 3.2202 3.2202 3.4495 3.4495 3.6970 3.6970 4.0871 4.0871 4.2772 4.2772 8.9173 8.9173 9.0476 9.0476 10.2523 10.2523 10.4944 10.4944 11.3018 11.3018 11.5204 11.5204 13.6163 13.6167 k = 0.3542 0.7157-0.0581 ( 5976 PWs) bands (ev): -16.4412 -16.4412 -16.3990 -16.3990 -14.4466 -14.4466 -14.2878 -14.2878 -13.9191 -13.9191 -13.8668 -13.8668 -13.4607 -13.4607 -13.4100 -13.4100 -5.0405 -5.0405 -4.7279 -4.7279 -3.9403 -3.9403 -3.3729 -3.3729 -1.7975 -1.7975 -1.6622 -1.6622 -0.9313 -0.9313 -0.8986 -0.8986 -0.1199 -0.1199 0.0254 0.0254 0.6567 0.6567 0.9201 0.9201 1.2007 1.2007 1.2871 1.2871 1.8616 1.8616 2.0597 2.0597 2.1668 2.1668 2.2101 2.2101 2.9009 2.9009 2.9771 2.9771 3.2125 3.2125 3.2281 3.2281 3.4413 3.4413 3.7254 3.7254 4.0528 4.0528 4.2730 4.2730 8.9154 8.9154 9.0693 9.0693 10.2556 10.2556 10.5340 10.5340 11.2864 11.2864 11.5365 11.5365 13.6118 13.6121 k = 0.3333 0.7157-0.0581 ( 5976 PWs) bands (ev): -16.4444 -16.4444 -16.3968 -16.3968 -14.4535 -14.4535 -14.2730 -14.2730 -13.9194 -13.9194 -13.8601 -13.8601 -13.4712 -13.4712 -13.4131 -13.4131 -5.0802 -5.0802 -4.7538 -4.7538 -3.9164 -3.9164 -3.3014 -3.3014 -1.7979 -1.7979 -1.6515 -1.6515 -0.9374 -0.9374 -0.8957 -0.8957 -0.1188 -0.1188 0.0468 0.0468 0.6373 0.6373 0.9290 0.9290 1.1934 1.1934 1.2924 1.2924 1.8475 1.8475 2.0348 2.0348 2.1769 2.1769 2.2103 2.2103 2.8754 2.8754 2.9512 2.9512 3.2054 3.2054 3.2444 3.2444 3.4346 3.4346 3.7531 3.7531 4.0179 4.0179 4.2670 4.2670 8.9133 8.9133 9.0915 9.0915 10.2627 10.2627 10.5760 10.5760 11.2720 11.2720 11.5516 11.5516 13.6071 13.6074 k = 0.3125 0.7157-0.0581 ( 5978 PWs) bands (ev): -16.4476 -16.4476 -16.3947 -16.3947 -14.4599 -14.4599 -14.2581 -14.2581 -13.9193 -13.9193 -13.8531 -13.8531 -13.4824 -13.4824 -13.4169 -13.4169 -5.1187 -5.1187 -4.7834 -4.7834 -3.8869 -3.8869 -3.2307 -3.2307 -1.7956 -1.7956 -1.6414 -1.6414 -0.9449 -0.9449 -0.8925 -0.8925 -0.1162 -0.1162 0.0698 0.0698 0.6187 0.6187 0.9352 0.9352 1.1852 1.1852 1.2964 1.2964 1.8361 1.8361 2.0030 2.0030 2.1889 2.1889 2.2113 2.2113 2.8499 2.8499 2.9271 2.9271 3.1939 3.1939 3.2604 3.2604 3.4291 3.4291 3.7796 3.7796 3.9833 3.9833 4.2595 4.2595 8.9108 8.9108 9.1138 9.1138 10.2732 10.2732 10.6200 10.6200 11.2588 11.2588 11.5655 11.5655 13.6020 13.6033 k = 0.2917 0.7157-0.0581 ( 5972 PWs) bands (ev): -16.4506 -16.4506 -16.3928 -16.3928 -14.4656 -14.4656 -14.2432 -14.2432 -13.9186 -13.9186 -13.8459 -13.8459 -13.4943 -13.4943 -13.4213 -13.4213 -5.1556 -5.1556 -4.8153 -4.8153 -3.8539 -3.8539 -3.1618 -3.1618 -1.7901 -1.7901 -1.6318 -1.6318 -0.9539 -0.9539 -0.8890 -0.8890 -0.1120 -0.1120 0.0944 0.0944 0.6011 0.6011 0.9386 0.9386 1.1758 1.1758 1.2989 1.2989 1.8279 1.8279 1.9665 1.9665 2.2006 2.2006 2.2140 2.2140 2.8245 2.8245 2.9052 2.9052 3.1785 3.1785 3.2752 3.2752 3.4250 3.4250 3.8043 3.8043 3.9504 3.9504 4.2510 4.2510 8.9076 8.9076 9.1358 9.1358 10.2869 10.2869 10.6660 10.6660 11.2469 11.2469 11.5781 11.5781 13.5942 13.5962 k = 0.2708 0.7157-0.0581 ( 5970 PWs) bands (ev): -16.4536 -16.4536 -16.3910 -16.3910 -14.4709 -14.4709 -14.2284 -14.2284 -13.9173 -13.9173 -13.8384 -13.8384 -13.5068 -13.5068 -13.4263 -13.4263 -5.1907 -5.1907 -4.8480 -4.8480 -3.8187 -3.8187 -3.0954 -3.0954 -1.7810 -1.7810 -1.6229 -1.6229 -0.9646 -0.9646 -0.8853 -0.8853 -0.1061 -0.1061 0.1207 0.1207 0.5845 0.5845 0.9388 0.9388 1.1650 1.1650 1.2996 1.2996 1.8231 1.8231 1.9267 1.9267 2.2091 2.2091 2.2205 2.2205 2.7994 2.7994 2.8856 2.8856 3.1594 3.1594 3.2888 3.2888 3.4221 3.4221 3.8256 3.8256 3.9213 3.9213 4.2418 4.2418 8.9036 8.9036 9.1572 9.1572 10.3030 10.3030 10.7135 10.7135 11.2364 11.2364 11.5893 11.5893 13.5852 13.5903 k = 0.2500 0.7157-0.0581 ( 5966 PWs) bands (ev): -16.4564 -16.4564 -16.3894 -16.3894 -14.4756 -14.4756 -14.2139 -14.2139 -13.9154 -13.9154 -13.8308 -13.8308 -13.5199 -13.5199 -13.4318 -13.4318 -5.2238 -5.2238 -4.8805 -4.8805 -3.7826 -3.7826 -3.0323 -3.0323 -1.7681 -1.7681 -1.6146 -1.6146 -0.9771 -0.9771 -0.8815 -0.8815 -0.0988 -0.0988 0.1486 0.1486 0.5689 0.5689 0.9358 0.9358 1.1524 1.1524 1.2985 1.2985 1.8219 1.8219 1.8851 1.8851 2.2141 2.2141 2.2308 2.2308 2.7748 2.7748 2.8683 2.8683 3.1366 3.1366 3.3008 3.3008 3.4205 3.4205 3.8384 3.8384 3.9015 3.9015 4.2322 4.2322 8.8988 8.8988 9.1776 9.1776 10.3212 10.3212 10.7622 10.7622 11.2273 11.2273 11.5991 11.5991 13.5672 13.5815 k = 0.2292 0.7157-0.0581 ( 5974 PWs) bands (ev): -16.4591 -16.4591 -16.3880 -16.3880 -14.4798 -14.4798 -14.1998 -14.1998 -13.9129 -13.9129 -13.8231 -13.8231 -13.5333 -13.5333 -13.4376 -13.4376 -5.2547 -5.2547 -4.9121 -4.9121 -3.7465 -3.7465 -2.9731 -2.9731 -1.7511 -1.7511 -1.6069 -1.6069 -0.9915 -0.9915 -0.8777 -0.8777 -0.0900 -0.0900 0.1780 0.1780 0.5544 0.5544 0.9293 0.9293 1.1379 1.1379 1.2956 1.2956 1.8229 1.8229 1.8441 1.8441 2.2187 2.2187 2.2417 2.2417 2.7508 2.7508 2.8532 2.8532 3.1104 3.1104 3.3111 3.3111 3.4201 3.4201 3.8329 3.8329 3.9010 3.9010 4.2225 4.2225 8.8934 8.8934 9.1967 9.1967 10.3406 10.3406 10.8115 10.8115 11.2197 11.2197 11.6074 11.6074 13.5507 13.5609 k = 0.2083 0.7157-0.0581 ( 5970 PWs) bands (ev): -16.4616 -16.4616 -16.3866 -16.3866 -14.4836 -14.4836 -14.1863 -14.1863 -13.9097 -13.9097 -13.8154 -13.8154 -13.5471 -13.5471 -13.4438 -13.4438 -5.2834 -5.2834 -4.9422 -4.9422 -3.7115 -3.7115 -2.9187 -2.9187 -1.7298 -1.7298 -1.5997 -1.5997 -1.0079 -1.0079 -0.8739 -0.8739 -0.0799 -0.0799 0.2090 0.2090 0.5412 0.5412 0.9193 0.9193 1.1211 1.1211 1.2913 1.2913 1.7983 1.7983 1.8327 1.8327 2.2238 2.2238 2.2520 2.2520 2.7278 2.7278 2.8403 2.8403 3.0813 3.0813 3.3196 3.3196 3.4211 3.4211 3.8152 3.8152 3.9141 3.9141 4.2129 4.2129 8.8873 8.8873 9.2145 9.2145 10.3607 10.3607 10.8609 10.8609 11.2136 11.2136 11.6143 11.6143 13.5338 13.5345 k = 0.1875 0.7157-0.0581 ( 5970 PWs) bands (ev): -16.4640 -16.4640 -16.3855 -16.3855 -14.4869 -14.4869 -14.1736 -14.1736 -13.9058 -13.9058 -13.8077 -13.8077 -13.5610 -13.5610 -13.4501 -13.4501 -5.3096 -5.3096 -4.9703 -4.9703 -3.6780 -3.6780 -2.8694 -2.8694 -1.7042 -1.7042 -1.5932 -1.5932 -1.0265 -1.0265 -0.8702 -0.8702 -0.0687 -0.0687 0.2415 0.2415 0.5292 0.5292 0.9055 0.9055 1.1021 1.1021 1.2861 1.2861 1.7589 1.7589 1.8408 1.8408 2.2295 2.2295 2.2616 2.2616 2.7059 2.7059 2.8292 2.8292 3.0499 3.0499 3.3264 3.3264 3.4231 3.4231 3.7958 3.7958 3.9303 3.9303 4.2038 4.2038 8.8809 8.8809 9.2306 9.2306 10.3808 10.3808 10.9097 10.9097 11.2090 11.2090 11.6196 11.6196 13.5163 13.5165 k = 0.1667 0.7157-0.0581 ( 5966 PWs) bands (ev): -16.4661 -16.4661 -16.3844 -16.3844 -14.4898 -14.4898 -14.1617 -14.1617 -13.9013 -13.9013 -13.8003 -13.8003 -13.5749 -13.5749 -13.4564 -13.4564 -5.3333 -5.3333 -4.9961 -4.9961 -3.6466 -3.6466 -2.8256 -2.8256 -1.6747 -1.6747 -1.5871 -1.5871 -1.0473 -1.0473 -0.8667 -0.8667 -0.0567 -0.0567 0.2753 0.2753 0.5184 0.5184 0.8881 0.8881 1.0809 1.0809 1.2804 1.2804 1.7217 1.7217 1.8518 1.8518 2.2356 2.2356 2.2702 2.2702 2.6856 2.6856 2.8199 2.8199 3.0169 3.0169 3.3316 3.3316 3.4260 3.4260 3.7779 3.7779 3.9463 3.9463 4.1952 4.1952 8.8743 8.8743 9.2451 9.2451 10.4001 10.4001 10.9572 10.9572 11.2057 11.2057 11.6236 11.6236 13.4984 13.4984 k = 0.1458 0.7157-0.0581 ( 5960 PWs) bands (ev): -16.4680 -16.4680 -16.3835 -16.3835 -14.4923 -14.4923 -14.1510 -14.1510 -13.8962 -13.8962 -13.7932 -13.7932 -13.5886 -13.5886 -13.4626 -13.4626 -5.3545 -5.3545 -5.0194 -5.0194 -3.6179 -3.6179 -2.7876 -2.7876 -1.6420 -1.6420 -1.5810 -1.5810 -1.0703 -1.0703 -0.8635 -0.8635 -0.0440 -0.0440 0.3101 0.3101 0.5090 0.5090 0.8673 0.8673 1.0579 1.0579 1.2747 1.2747 1.6882 1.6882 1.8646 1.8646 2.2420 2.2420 2.2778 2.2778 2.6672 2.6672 2.8122 2.8122 2.9832 2.9832 3.3354 3.3354 3.4296 3.4296 3.7624 3.7624 3.9610 3.9610 4.1873 4.1873 8.8679 8.8679 9.2579 9.2579 10.4183 10.4183 11.0026 11.0026 11.2035 11.2035 11.6262 11.6262 13.4808 13.4808 k = 0.1250 0.7157-0.0581 ( 5952 PWs) bands (ev): -16.4697 -16.4697 -16.3827 -16.3827 -14.4944 -14.4944 -14.1415 -14.1415 -13.8907 -13.8907 -13.7865 -13.7865 -13.6017 -13.6017 -13.4684 -13.4684 -5.3729 -5.3729 -5.0399 -5.0399 -3.5922 -3.5922 -2.7553 -2.7553 -1.6087 -1.6087 -1.5731 -1.5731 -1.0956 -1.0956 -0.8607 -0.8607 -0.0313 -0.0313 0.3456 0.3456 0.5008 0.5008 0.8433 0.8433 1.0340 1.0340 1.2693 1.2693 1.6591 1.6591 1.8781 1.8781 2.2484 2.2484 2.2844 2.2844 2.6513 2.6513 2.8058 2.8058 2.9499 2.9499 3.3380 3.3380 3.4334 3.4334 3.7494 3.7494 3.9741 3.9741 4.1803 4.1803 8.8618 8.8618 9.2689 9.2689 10.4347 10.4347 11.0451 11.0451 11.2024 11.2024 11.6275 11.6275 13.4640 13.4640 k = 0.1042 0.7157-0.0581 ( 5940 PWs) bands (ev): -16.4712 -16.4712 -16.3821 -16.3821 -14.4962 -14.4962 -14.1333 -14.1333 -13.8849 -13.8849 -13.7805 -13.7805 -13.6139 -13.6139 -13.4738 -13.4738 -5.3887 -5.3887 -5.0575 -5.0575 -3.5699 -3.5699 -2.7286 -2.7286 -1.5854 -1.5854 -1.5536 -1.5536 -1.1229 -1.1229 -0.8582 -0.8582 -0.0188 -0.0188 0.3814 0.3814 0.4941 0.4941 0.8168 0.8168 1.0101 1.0101 1.2645 1.2645 1.6347 1.6347 1.8917 1.8917 2.2543 2.2543 2.2900 2.2900 2.6382 2.6382 2.8007 2.8007 2.9181 2.9181 3.3399 3.3399 3.4371 3.4371 3.7387 3.7387 3.9854 3.9854 4.1742 4.1742 8.8562 8.8562 9.2782 9.2782 10.4491 10.4491 11.0836 11.0836 11.2019 11.2019 11.6278 11.6278 13.4485 13.4485 k = 0.0833 0.7157-0.0581 ( 5942 PWs) bands (ev): -16.4724 -16.4724 -16.3816 -16.3816 -14.4976 -14.4976 -14.1265 -14.1265 -13.8793 -13.8793 -13.7753 -13.7753 -13.6250 -13.6250 -13.4786 -13.4786 -5.4016 -5.4016 -5.0720 -5.0720 -3.5513 -3.5513 -2.7074 -2.7074 -1.5773 -1.5773 -1.5186 -1.5186 -1.1519 -1.1519 -0.8561 -0.8561 -0.0074 -0.0074 0.4165 0.4165 0.4890 0.4890 0.7887 0.7887 0.9876 0.9876 1.2605 1.2605 1.6150 1.6150 1.9044 1.9044 2.2594 2.2594 2.2944 2.2944 2.6281 2.6281 2.7967 2.7967 2.8890 2.8890 3.3411 3.3411 3.4405 3.4405 3.7303 3.7303 3.9947 3.9947 4.1691 4.1691 8.8513 8.8513 9.2857 9.2857 10.4612 10.4612 11.1173 11.1173 11.2018 11.2018 11.6272 11.6272 13.4350 13.4350 k = 0.0625 0.7157-0.0581 ( 5940 PWs) bands (ev): -16.4733 -16.4733 -16.3812 -16.3812 -14.4987 -14.4987 -14.1212 -14.1212 -13.8742 -13.8742 -13.7710 -13.7710 -13.6343 -13.6343 -13.4825 -13.4825 -5.4117 -5.4117 -5.0834 -5.0834 -3.5366 -3.5366 -2.6912 -2.6912 -1.5735 -1.5735 -1.4805 -1.4805 -1.1818 -1.1818 -0.8545 -0.8545 0.0025 0.0025 0.4491 0.4491 0.4859 0.4859 0.7603 0.7603 0.9680 0.9680 1.2573 1.2573 1.6000 1.6000 1.9154 1.9154 2.2635 2.2635 2.2979 2.2979 2.6210 2.6210 2.7937 2.7937 2.8640 2.8640 3.3419 3.3419 3.4434 3.4434 3.7239 3.7239 4.0020 4.0020 4.1650 4.1650 8.8474 8.8474 9.2915 9.2915 10.4707 10.4707 11.1453 11.1453 11.2017 11.2017 11.6262 11.6262 13.4239 13.4239 k = 0.0417 0.7157-0.0581 ( 5942 PWs) bands (ev): -16.4740 -16.4740 -16.3809 -16.3809 -14.4995 -14.4995 -14.1175 -14.1175 -13.8701 -13.8701 -13.7678 -13.7678 -13.6415 -13.6415 -13.4854 -13.4854 -5.4189 -5.4189 -5.0916 -5.0916 -3.5260 -3.5260 -2.6799 -2.6799 -1.5713 -1.5713 -1.4448 -1.4448 -1.2106 -1.2106 -0.8533 -0.8533 0.0102 0.0102 0.4717 0.4717 0.4902 0.4902 0.7342 0.7342 0.9528 0.9528 1.2551 1.2551 1.5894 1.5894 1.9239 1.9239 2.2664 2.2664 2.3003 2.3003 2.6168 2.6168 2.7917 2.7917 2.8445 2.8445 3.3424 3.3424 3.4455 3.4455 3.7195 3.7195 4.0073 4.0073 4.1621 4.1621 8.8444 8.8444 9.2956 9.2956 10.4776 10.4776 11.1670 11.1670 11.2010 11.2010 11.6250 11.6250 13.4156 13.4156 k = 0.0208 0.7157-0.0581 ( 5936 PWs) bands (ev): -16.4744 -16.4744 -16.3807 -16.3807 -14.5000 -14.5000 -14.1152 -14.1152 -13.8674 -13.8674 -13.7658 -13.7658 -13.6460 -13.6460 -13.4873 -13.4873 -5.4233 -5.4233 -5.0965 -5.0965 -3.5196 -3.5196 -2.6732 -2.6732 -1.5701 -1.5701 -1.4169 -1.4169 -1.2339 -1.2339 -0.8526 -0.8526 0.0151 0.0151 0.4755 0.4755 0.5067 0.5067 0.7143 0.7143 0.9431 0.9431 1.2537 1.2537 1.5832 1.5832 1.9293 1.9293 2.2681 2.2681 2.3018 2.3018 2.6146 2.6146 2.7905 2.7905 2.8320 2.8320 3.3427 3.3427 3.4468 3.4468 3.7169 3.7169 4.0104 4.0104 4.1604 4.1604 8.8427 8.8427 9.2981 9.2981 10.4817 10.4817 11.1819 11.1819 11.1991 11.1991 11.6241 11.6241 13.4105 13.4105 k = 0.0000 0.7157-0.0581 ( 5942 PWs) bands (ev): -16.4745 -16.4745 -16.3806 -16.3806 -14.5001 -14.5001 -14.1144 -14.1144 -13.8665 -13.8665 -13.7651 -13.7651 -13.6475 -13.6475 -13.4879 -13.4879 -5.4247 -5.4247 -5.0982 -5.0982 -3.5174 -3.5174 -2.6710 -2.6710 -1.5696 -1.5696 -1.4056 -1.4056 -1.2437 -1.2437 -0.8524 -0.8524 0.0167 0.0167 0.4756 0.4756 0.5145 0.5145 0.7065 0.7065 0.9398 0.9398 1.2533 1.2533 1.5812 1.5812 1.9312 1.9312 2.2686 2.2686 2.3023 2.3023 2.6140 2.6140 2.7902 2.7902 2.8277 2.8277 3.3427 3.3427 3.4473 3.4473 3.7160 3.7160 4.0115 4.0115 4.1598 4.1598 8.8421 8.8421 9.2989 9.2989 10.4831 10.4831 11.1884 11.1884 11.1970 11.1970 11.6238 11.6238 13.4088 13.4088 k = 0.0000 0.7157-0.0581 ( 5942 PWs) bands (ev): -16.4745 -16.4745 -16.3806 -16.3806 -14.5001 -14.5001 -14.1144 -14.1144 -13.8665 -13.8665 -13.7651 -13.7651 -13.6475 -13.6475 -13.4879 -13.4879 -5.4247 -5.4247 -5.0982 -5.0982 -3.5174 -3.5174 -2.6710 -2.6710 -1.5696 -1.5696 -1.4056 -1.4056 -1.2437 -1.2437 -0.8524 -0.8524 0.0167 0.0167 0.4756 0.4756 0.5145 0.5145 0.7065 0.7065 0.9398 0.9398 1.2533 1.2533 1.5812 1.5812 1.9312 1.9312 2.2686 2.2686 2.3023 2.3023 2.6140 2.6140 2.7902 2.7902 2.8277 2.8277 3.3427 3.3427 3.4473 3.4473 3.7160 3.7160 4.0115 4.0115 4.1598 4.1598 8.8421 8.8421 9.2989 9.2989 10.4831 10.4831 11.1884 11.1884 11.1970 11.1970 11.6238 11.6238 13.4088 13.4088 k = 0.0000 0.7174-0.0371 ( 5936 PWs) bands (ev): -16.4743 -16.4743 -16.3806 -16.3806 -14.5005 -14.5005 -14.1146 -14.1146 -13.8663 -13.8663 -13.7651 -13.7651 -13.6476 -13.6476 -13.4879 -13.4879 -5.4245 -5.4245 -5.0986 -5.0986 -3.5168 -3.5168 -2.6712 -2.6712 -1.5709 -1.5709 -1.4052 -1.4052 -1.2425 -1.2425 -0.8517 -0.8517 0.0171 0.0171 0.4759 0.4759 0.5142 0.5142 0.7057 0.7057 0.9388 0.9388 1.2531 1.2531 1.5813 1.5813 1.9308 1.9308 2.2681 2.2681 2.3022 2.3022 2.6138 2.6138 2.7907 2.7907 2.8290 2.8290 3.3436 3.3436 3.4470 3.4470 3.7158 3.7158 4.0116 4.0116 4.1597 4.1597 8.8430 8.8430 9.2991 9.2991 10.4838 10.4838 11.1846 11.1846 11.1995 11.1995 11.6225 11.6225 13.4098 13.4098 k = 0.0000 0.7191-0.0161 ( 5937 PWs) bands (ev): -16.4737 -16.4737 -16.3803 -16.3803 -14.5016 -14.5016 -14.1153 -14.1153 -13.8659 -13.8659 -13.7649 -13.7649 -13.6477 -13.6477 -13.4881 -13.4881 -5.4239 -5.4239 -5.0998 -5.0998 -3.5152 -3.5152 -2.6719 -2.6719 -1.5748 -1.5748 -1.4037 -1.4037 -1.2391 -1.2391 -0.8497 -0.8497 0.0184 0.0184 0.4768 0.4768 0.5134 0.5134 0.7035 0.7035 0.9361 0.9361 1.2525 1.2525 1.5817 1.5817 1.9296 1.9296 2.2667 2.2667 2.3019 2.3019 2.6132 2.6132 2.7923 2.7923 2.8330 2.8330 3.3462 3.3462 3.4461 3.4461 3.7151 3.7151 4.0117 4.0117 4.1594 4.1594 8.8460 8.8460 9.2997 9.2997 10.4860 10.4860 11.1771 11.1771 11.2029 11.2029 11.6186 11.6186 13.4126 13.4126 k = 0.0000 0.7208 0.0049 ( 5939 PWs) bands (ev): -16.4726 -16.4726 -16.3798 -16.3798 -14.5035 -14.5035 -14.1164 -14.1164 -13.8651 -13.8651 -13.7646 -13.7646 -13.6480 -13.6480 -13.4884 -13.4884 -5.4228 -5.4228 -5.1018 -5.1018 -3.5124 -3.5124 -2.6730 -2.6730 -1.5810 -1.5810 -1.4014 -1.4014 -1.2337 -1.2337 -0.8465 -0.8465 0.0204 0.0204 0.4782 0.4782 0.5120 0.5120 0.6997 0.6997 0.9316 0.9316 1.2515 1.2515 1.5824 1.5824 1.9277 1.9277 2.2642 2.2642 2.3014 2.3014 2.6122 2.6122 2.7950 2.7950 2.8394 2.8394 3.3503 3.3503 3.4448 3.4448 3.7140 3.7140 4.0120 4.0120 4.1589 4.1589 8.8508 8.8508 9.3008 9.3008 10.4896 10.4896 11.1680 11.1680 11.2053 11.2053 11.6121 11.6121 13.4174 13.4174 k = 0.0000 0.7225 0.0259 ( 5944 PWs) bands (ev): -16.4711 -16.4711 -16.3792 -16.3792 -14.5061 -14.5061 -14.1179 -14.1179 -13.8641 -13.8641 -13.7642 -13.7642 -13.6483 -13.6483 -13.4888 -13.4888 -5.4214 -5.4214 -5.1046 -5.1046 -3.5085 -3.5085 -2.6744 -2.6744 -1.5893 -1.5893 -1.3980 -1.3980 -1.2265 -1.2265 -0.8420 -0.8420 0.0233 0.0233 0.4799 0.4799 0.5102 0.5102 0.6946 0.6946 0.9254 0.9254 1.2500 1.2500 1.5835 1.5835 1.9249 1.9249 2.2609 2.2609 2.3007 2.3007 2.6108 2.6108 2.7990 2.7990 2.8481 2.8481 3.3556 3.3556 3.4433 3.4433 3.7125 3.7125 4.0124 4.0124 4.1582 4.1582 8.8575 8.8575 9.3025 9.3025 10.4945 10.4945 11.1574 11.1574 11.2064 11.2064 11.6031 11.6031 13.4239 13.4239 k = 0.0000 0.7242 0.0468 ( 5938 PWs) bands (ev): -16.4692 -16.4692 -16.3784 -16.3784 -14.5093 -14.5093 -14.1198 -14.1198 -13.8629 -13.8629 -13.7636 -13.7636 -13.6488 -13.6488 -13.4893 -13.4893 -5.4196 -5.4196 -5.1082 -5.1082 -3.5036 -3.5036 -2.6762 -2.6762 -1.5994 -1.5994 -1.3937 -1.3937 -1.2178 -1.2178 -0.8363 -0.8363 0.0270 0.0270 0.4817 0.4817 0.5082 0.5082 0.6882 0.6882 0.9176 0.9176 1.2479 1.2479 1.5851 1.5851 1.9214 1.9214 2.2567 2.2567 2.2998 2.2998 2.6091 2.6091 2.8044 2.8044 2.8590 2.8590 3.3616 3.3616 3.4421 3.4421 3.7109 3.7109 4.0129 4.0129 4.1573 4.1573 8.8661 8.8661 9.3049 9.3049 10.5004 10.5004 11.1457 11.1457 11.2064 11.2064 11.5916 11.5916 13.4321 13.4321 k = 0.0000 0.7259 0.0678 ( 5934 PWs) bands (ev): -16.4669 -16.4669 -16.3774 -16.3774 -14.5132 -14.5132 -14.1221 -14.1221 -13.8613 -13.8613 -13.7629 -13.7629 -13.6493 -13.6493 -13.4899 -13.4899 -5.4174 -5.4174 -5.1124 -5.1124 -3.4976 -3.4976 -2.6782 -2.6782 -1.6110 -1.6110 -1.3884 -1.3884 -1.2081 -1.2081 -0.8296 -0.8296 0.0315 0.0315 0.4829 0.4829 0.5067 0.5067 0.6806 0.6806 0.9084 0.9084 1.2452 1.2452 1.5872 1.5872 1.9170 1.9170 2.2517 2.2517 2.2985 2.2985 2.6071 2.6071 2.8110 2.8110 2.8717 2.8717 3.3673 3.3673 3.4417 3.4417 3.7091 3.7091 4.0135 4.0135 4.1563 4.1563 8.8763 8.8763 9.3082 9.3082 10.5073 10.5073 11.1328 11.1328 11.2051 11.2051 11.5776 11.5776 13.4418 13.4418 k = 0.0000 0.7276 0.0888 ( 5936 PWs) bands (ev): -16.4642 -16.4642 -16.3763 -16.3763 -14.5178 -14.5178 -14.1247 -14.1247 -13.8596 -13.8596 -13.7622 -13.7622 -13.6499 -13.6499 -13.4906 -13.4906 -5.4150 -5.4150 -5.1174 -5.1174 -3.4907 -3.4907 -2.6805 -2.6805 -1.6238 -1.6238 -1.3822 -1.3822 -1.1976 -1.1976 -0.8218 -0.8218 0.0368 0.0368 0.4824 0.4824 0.5065 0.5065 0.6720 0.6720 0.8979 0.8979 1.2418 1.2418 1.5899 1.5899 1.9117 1.9117 2.2459 2.2459 2.2970 2.2970 2.6049 2.6049 2.8190 2.8190 2.8861 2.8861 3.3717 3.3717 3.4432 3.4432 3.7074 3.7074 4.0141 4.0141 4.1550 4.1550 8.8881 8.8881 9.3125 9.3125 10.5149 10.5149 11.1188 11.1188 11.2026 11.2026 11.5612 11.5612 13.4527 13.4527 k = 0.0000 0.7293 0.1098 ( 5942 PWs) bands (ev): -16.4612 -16.4612 -16.3751 -16.3751 -14.5229 -14.5229 -14.1277 -14.1277 -13.8577 -13.8577 -13.7613 -13.7613 -13.6506 -13.6506 -13.4914 -13.4914 -5.4122 -5.4122 -5.1229 -5.1229 -3.4828 -3.4828 -2.6828 -2.6828 -1.6374 -1.6374 -1.3752 -1.3752 -1.1865 -1.1865 -0.8132 -0.8132 0.0429 0.0429 0.4797 0.4797 0.5083 0.5083 0.6625 0.6625 0.8863 0.8863 1.2376 1.2376 1.5932 1.5932 1.9057 1.9057 2.2394 2.2394 2.2952 2.2952 2.6024 2.6024 2.8283 2.8283 2.9020 2.9020 3.3736 3.3736 3.4476 3.4476 3.7058 3.7058 4.0148 4.0148 4.1536 4.1536 8.9013 8.9013 9.3181 9.3181 10.5229 10.5229 11.1039 11.1039 11.1991 11.1991 11.5426 11.5426 13.4643 13.4643 k = 0.0000 0.7310 0.1308 ( 5947 PWs) bands (ev): -16.4578 -16.4578 -16.3737 -16.3737 -14.5284 -14.5284 -14.1311 -14.1311 -13.8555 -13.8555 -13.7603 -13.7603 -13.6514 -13.6514 -13.4923 -13.4923 -5.4093 -5.4093 -5.1290 -5.1290 -3.4742 -3.4742 -2.6852 -2.6852 -1.6518 -1.6518 -1.3674 -1.3674 -1.1751 -1.1751 -0.8037 -0.8037 0.0497 0.0497 0.4747 0.4747 0.5119 0.5119 0.6523 0.6523 0.8738 0.8738 1.2326 1.2326 1.5973 1.5973 1.8989 1.8989 2.2322 2.2322 2.2930 2.2930 2.5996 2.5996 2.8389 2.8389 2.9193 2.9193 3.3722 3.3722 3.4554 3.4554 3.7046 3.7046 4.0154 4.0154 4.1520 4.1520 8.9159 8.9159 9.3251 9.3251 10.5310 10.5310 11.0882 11.0882 11.1947 11.1947 11.5218 11.5218 13.4754 13.4755 k = 0.0000 0.7327 0.1518 ( 5957 PWs) bands (ev): -16.4541 -16.4541 -16.3723 -16.3723 -14.5345 -14.5345 -14.1347 -14.1347 -13.8533 -13.8533 -13.7593 -13.7593 -13.6523 -13.6523 -13.4933 -13.4933 -5.4062 -5.4062 -5.1355 -5.1355 -3.4647 -3.4647 -2.6875 -2.6875 -1.6665 -1.6665 -1.3589 -1.3589 -1.1636 -1.1636 -0.7936 -0.7936 0.0573 0.0573 0.4679 0.4679 0.5166 0.5166 0.6416 0.6416 0.8605 0.8605 1.2267 1.2267 1.6020 1.6020 1.8915 1.8915 2.2245 2.2245 2.2906 2.2906 2.5965 2.5965 2.8506 2.8506 2.9377 2.9377 3.3680 3.3680 3.4662 3.4662 3.7039 3.7039 4.0161 4.0161 4.1502 4.1502 8.9317 8.9317 9.3337 9.3337 10.5391 10.5391 11.0716 11.0716 11.1893 11.1893 11.4990 11.4990 13.4846 13.4846 k = 0.0000 0.7344 0.1728 ( 5952 PWs) bands (ev): -16.4502 -16.4502 -16.3707 -16.3707 -14.5409 -14.5409 -14.1385 -14.1385 -13.8508 -13.8508 -13.7581 -13.7581 -13.6533 -13.6533 -13.4943 -13.4943 -5.4030 -5.4030 -5.1425 -5.1425 -3.4546 -3.4546 -2.6896 -2.6896 -1.6815 -1.6815 -1.3498 -1.3498 -1.1521 -1.1521 -0.7830 -0.7830 0.0656 0.0656 0.4598 0.4598 0.5218 0.5218 0.6308 0.6308 0.8467 0.8467 1.2200 1.2200 1.6074 1.6074 1.8834 1.8834 2.2162 2.2162 2.2880 2.2880 2.5931 2.5931 2.8635 2.8635 2.9570 2.9570 3.3614 3.3614 3.4792 3.4792 3.7039 3.7039 4.0168 4.0168 4.1483 4.1483 8.9486 8.9486 9.3440 9.3440 10.5468 10.5468 11.0544 11.0544 11.1832 11.1832 11.4743 11.4743 13.4900 13.4900 k = 0.0000 0.7361 0.1937 ( 5962 PWs) bands (ev): -16.4460 -16.4460 -16.3691 -16.3691 -14.5476 -14.5476 -14.1426 -14.1426 -13.8483 -13.8483 -13.7569 -13.7569 -13.6543 -13.6543 -13.4953 -13.4953 -5.3997 -5.3997 -5.1498 -5.1498 -3.4438 -3.4438 -2.6915 -2.6915 -1.6965 -1.6965 -1.3402 -1.3402 -1.1409 -1.1409 -0.7719 -0.7719 0.0745 0.0745 0.4503 0.4503 0.5272 0.5272 0.6201 0.6201 0.8325 0.8325 1.2126 1.2126 1.6135 1.6135 1.8749 1.8749 2.2074 2.2074 2.2850 2.2850 2.5894 2.5894 2.8773 2.8773 2.9771 2.9771 3.3530 3.3530 3.4937 3.4937 3.7046 3.7046 4.0174 4.0174 4.1462 4.1462 8.9664 8.9664 9.3562 9.3562 10.5539 10.5539 11.0366 11.0366 11.1764 11.1764 11.4480 11.4480 13.4914 13.4914 k = 0.0000 0.7378 0.2147 ( 5957 PWs) bands (ev): -16.4416 -16.4416 -16.3675 -16.3675 -14.5546 -14.5546 -14.1469 -14.1469 -13.8457 -13.8457 -13.7556 -13.7556 -13.6553 -13.6553 -13.4964 -13.4964 -5.3965 -5.3965 -5.1573 -5.1573 -3.4326 -3.4326 -2.6932 -2.6932 -1.7115 -1.7115 -1.3303 -1.3303 -1.1298 -1.1298 -0.7605 -0.7605 0.0842 0.0842 0.4396 0.4396 0.5321 0.5321 0.6101 0.6101 0.8183 0.8183 1.2044 1.2044 1.6201 1.6201 1.8661 1.8661 2.1982 2.1982 2.2819 2.2819 2.5852 2.5852 2.8920 2.8920 2.9976 2.9976 3.3433 3.3433 3.5092 3.5092 3.7062 3.7062 4.0179 4.0179 4.1440 4.1440 8.9850 8.9850 9.3702 9.3702 10.5601 10.5601 11.0183 11.0183 11.1690 11.1690 11.4203 11.4203 13.4899 13.4899 k = 0.0000 0.7396 0.2357 ( 5955 PWs) bands (ev): -16.4370 -16.4370 -16.3658 -16.3658 -14.5617 -14.5617 -14.1513 -14.1513 -13.8431 -13.8431 -13.7542 -13.7542 -13.6565 -13.6565 -13.4975 -13.4975 -5.3933 -5.3933 -5.1649 -5.1649 -3.4210 -3.4210 -2.6945 -2.6945 -1.7262 -1.7262 -1.3201 -1.3201 -1.1192 -1.1192 -0.7489 -0.7489 0.0944 0.0944 0.4278 0.4278 0.5357 0.5357 0.6018 0.6018 0.8041 0.8041 1.1955 1.1955 1.6271 1.6271 1.8571 1.8571 2.1887 2.1887 2.2786 2.2786 2.5806 2.5806 2.9074 2.9074 3.0184 3.0184 3.3326 3.3326 3.5254 3.5254 3.7087 3.7087 4.0184 4.0184 4.1417 4.1417 9.0044 9.0044 9.3862 9.3862 10.5652 10.5652 10.9996 10.9996 11.1612 11.1612 11.3915 11.3915 13.4866 13.4866 k = 0.0000 0.7413 0.2567 ( 5965 PWs) bands (ev): -16.4323 -16.4323 -16.3641 -16.3641 -14.5690 -14.5690 -14.1557 -14.1557 -13.8404 -13.8404 -13.7528 -13.7528 -13.6576 -13.6576 -13.4987 -13.4987 -5.3904 -5.3904 -5.1725 -5.1725 -3.4091 -3.4091 -2.6953 -2.6953 -1.7406 -1.7406 -1.3098 -1.3098 -1.1090 -1.1090 -0.7372 -0.7372 0.1053 0.1053 0.4149 0.4149 0.5368 0.5368 0.5962 0.5962 0.7901 0.7901 1.1859 1.1859 1.6344 1.6344 1.8482 1.8482 2.1790 2.1790 2.2751 2.2751 2.5755 2.5755 2.9235 2.9235 3.0392 3.0392 3.3211 3.3211 3.5419 3.5419 3.7121 3.7121 4.0187 4.0187 4.1393 4.1393 9.0244 9.0244 9.4040 9.4040 10.5691 10.5691 10.9805 10.9805 11.1529 11.1529 11.3619 11.3619 13.4821 13.4822 k = 0.0000 0.7430 0.2777 ( 5966 PWs) bands (ev): -16.4275 -16.4275 -16.3625 -16.3625 -14.5762 -14.5762 -14.1603 -14.1603 -13.8378 -13.8378 -13.7513 -13.7513 -13.6589 -13.6589 -13.4998 -13.4998 -5.3876 -5.3876 -5.1800 -5.1800 -3.3971 -3.3971 -2.6957 -2.6957 -1.7546 -1.7546 -1.2994 -1.2994 -1.0993 -1.0993 -0.7255 -0.7255 0.1167 0.1167 0.4010 0.4010 0.5344 0.5344 0.5946 0.5946 0.7766 0.7766 1.1759 1.1759 1.6418 1.6418 1.8396 1.8396 2.1691 2.1691 2.2716 2.2716 2.5700 2.5700 2.9401 2.9401 3.0598 3.0598 3.3089 3.3089 3.5586 3.5586 3.7163 3.7163 4.0189 4.0189 4.1368 4.1368 9.0451 9.0451 9.4235 9.4235 10.5716 10.5716 10.9612 10.9612 11.1443 11.1443 11.3319 11.3319 13.4770 13.4770 k = 0.0000 0.7447 0.2987 ( 5962 PWs) bands (ev): -16.4226 -16.4226 -16.3608 -16.3608 -14.5835 -14.5835 -14.1648 -14.1648 -13.8351 -13.8351 -13.7499 -13.7499 -13.6601 -13.6601 -13.5010 -13.5010 -5.3852 -5.3852 -5.1873 -5.1873 -3.3850 -3.3850 -2.6957 -2.6957 -1.7681 -1.7681 -1.2891 -1.2891 -1.0901 -1.0901 -0.7140 -0.7140 0.1285 0.1285 0.3861 0.3861 0.5286 0.5286 0.5968 0.5968 0.7637 0.7637 1.1653 1.1653 1.6490 1.6490 1.8315 1.8315 2.1590 2.1590 2.2680 2.2680 2.5641 2.5641 2.9572 2.9572 3.0800 3.0800 3.2964 3.2964 3.5752 3.5752 3.7214 3.7214 4.0189 4.0189 4.1342 4.1342 9.0662 9.0662 9.4445 9.4445 10.5727 10.5727 10.9416 10.9416 11.1352 11.1352 11.3020 11.3020 13.4714 13.4714 k = 0.0000 0.7464 0.3197 ( 5956 PWs) bands (ev): -16.4178 -16.4178 -16.3592 -16.3592 -14.5906 -14.5906 -14.1693 -14.1693 -13.8326 -13.8326 -13.7484 -13.7484 -13.6613 -13.6613 -13.5021 -13.5021 -5.3833 -5.3833 -5.1942 -5.1942 -3.3730 -3.3730 -2.6951 -2.6951 -1.7810 -1.7810 -1.2790 -1.2790 -1.0816 -1.0816 -0.7028 -0.7028 0.1409 0.1409 0.3703 0.3703 0.5205 0.5205 0.6017 0.6017 0.7515 0.7515 1.1545 1.1545 1.6558 1.6558 1.8242 1.8242 2.1490 2.1490 2.2643 2.2643 2.5577 2.5577 2.9745 2.9745 3.0996 3.0996 3.2836 3.2836 3.5917 3.5917 3.7271 3.7271 4.0188 4.0188 4.1317 4.1317 9.0879 9.0879 9.4667 9.4667 10.5725 10.5725 10.9217 10.9217 11.1256 11.1256 11.2727 11.2727 13.4655 13.4655 k = 0.0000 0.7481 0.3407 ( 5955 PWs) bands (ev): -16.4131 -16.4131 -16.3576 -16.3576 -14.5975 -14.5975 -14.1737 -14.1737 -13.8300 -13.8300 -13.7469 -13.7469 -13.6626 -13.6626 -13.5033 -13.5033 -5.3819 -5.3819 -5.2005 -5.2005 -3.3613 -3.3613 -2.6940 -2.6940 -1.7931 -1.7931 -1.2692 -1.2692 -1.0736 -1.0736 -0.6919 -0.6919 0.1536 0.1536 0.3539 0.3539 0.5113 0.5113 0.6081 0.6081 0.7400 0.7400 1.1433 1.1433 1.6618 1.6618 1.8180 1.8180 2.1391 2.1391 2.2607 2.2607 2.5511 2.5511 2.9920 2.9920 3.1184 3.1184 3.2707 3.2707 3.6078 3.6078 3.7333 3.7333 4.0185 4.0185 4.1291 4.1291 9.1100 9.1100 9.4897 9.4897 10.5710 10.5710 10.9016 10.9016 11.1154 11.1154 11.2445 11.2445 13.4596 13.4596 k = 0.0000 0.7498 0.3616 ( 5949 PWs) bands (ev): -16.4086 -16.4086 -16.3560 -16.3560 -14.6041 -14.6041 -14.1780 -14.1780 -13.8276 -13.8276 -13.7455 -13.7455 -13.6638 -13.6638 -13.5043 -13.5043 -5.3810 -5.3810 -5.2063 -5.2063 -3.3499 -3.3499 -2.6925 -2.6925 -1.8046 -1.8046 -1.2598 -1.2598 -1.0663 -1.0663 -0.6814 -0.6814 0.1666 0.1666 0.3369 0.3369 0.5017 0.5017 0.6153 0.6153 0.7294 0.7294 1.1321 1.1321 1.6667 1.6667 1.8133 1.8133 2.1294 2.1294 2.2571 2.2571 2.5443 2.5443 3.0095 3.0095 3.1360 3.1360 3.2579 3.2579 3.6235 3.6235 3.7399 3.7399 4.0180 4.0180 4.1265 4.1265 9.1325 9.1325 9.5132 9.5132 10.5684 10.5684 10.8812 10.8812 11.1044 11.1044 11.2183 11.2183 13.4536 13.4536 k = 0.0000 0.7515 0.3826 ( 5952 PWs) bands (ev): -16.4043 -16.4043 -16.3545 -16.3545 -14.6105 -14.6105 -14.1820 -14.1820 -13.8253 -13.8253 -13.7441 -13.7441 -13.6650 -13.6650 -13.5054 -13.5054 -5.3809 -5.3809 -5.2112 -5.2112 -3.3390 -3.3390 -2.6904 -2.6904 -1.8152 -1.8152 -1.2510 -1.2510 -1.0597 -1.0597 -0.6715 -0.6715 0.1799 0.1799 0.3196 0.3196 0.4923 0.4923 0.6229 0.6229 0.7197 0.7197 1.1208 1.1208 1.6702 1.6702 1.8104 1.8104 2.1199 2.1199 2.2536 2.2536 2.5374 2.5374 3.0268 3.0268 3.1525 3.1525 3.2453 3.2453 3.6387 3.6387 3.7467 3.7467 4.0172 4.0172 4.1240 4.1240 9.1551 9.1551 9.5366 9.5366 10.5651 10.5651 10.8604 10.8604 11.0924 11.0924 11.1948 11.1948 13.4477 13.4477 k = 0.0000 0.7532 0.4036 ( 5944 PWs) bands (ev): -16.4004 -16.4004 -16.3529 -16.3529 -14.6164 -14.6164 -14.1859 -14.1859 -13.8232 -13.8232 -13.7428 -13.7428 -13.6661 -13.6661 -13.5064 -13.5064 -5.3816 -5.3816 -5.2152 -5.2152 -3.3288 -3.3288 -2.6879 -2.6879 -1.8250 -1.8250 -1.2427 -1.2427 -1.0538 -1.0538 -0.6622 -0.6622 0.1933 0.1933 0.3022 0.3022 0.4831 0.4831 0.6306 0.6306 0.7109 0.7109 1.1096 1.1096 1.6722 1.6722 1.8095 1.8095 2.1108 2.1108 2.2503 2.2503 2.5305 2.5305 3.0439 3.0439 3.1675 3.1675 3.2333 3.2333 3.6531 3.6531 3.7535 3.7535 4.0163 4.0163 4.1216 4.1216 9.1777 9.1777 9.5596 9.5596 10.5614 10.5614 10.8393 10.8393 11.0791 11.0791 11.1747 11.1747 13.4419 13.4419 k = 0.0000 0.7549 0.4246 ( 5944 PWs) bands (ev): -16.3969 -16.3969 -16.3513 -16.3513 -14.6219 -14.6219 -14.1895 -14.1895 -13.8212 -13.8212 -13.7415 -13.7415 -13.6671 -13.6671 -13.5073 -13.5073 -5.3830 -5.3830 -5.2183 -5.2183 -3.3192 -3.3192 -2.6850 -2.6850 -1.8339 -1.8339 -1.2351 -1.2351 -1.0485 -1.0485 -0.6536 -0.6536 0.2069 0.2069 0.2848 0.2848 0.4744 0.4744 0.6382 0.6382 0.7028 0.7028 1.0986 1.0986 1.6724 1.6724 1.8105 1.8105 2.1022 2.1022 2.2472 2.2472 2.5239 2.5239 3.0605 3.0605 3.1807 3.1807 3.2220 3.2220 3.6668 3.6668 3.7602 3.7602 4.0151 4.0151 4.1194 4.1194 9.2001 9.2001 9.5815 9.5815 10.5577 10.5577 10.8178 10.8178 11.0648 11.0648 11.1584 11.1584 13.4363 13.4363 k = 0.0000 0.7566 0.4456 ( 5936 PWs) bands (ev): -16.3938 -16.3938 -16.3497 -16.3497 -14.6269 -14.6269 -14.1927 -14.1927 -13.8193 -13.8193 -13.7404 -13.7404 -13.6681 -13.6681 -13.5082 -13.5082 -5.3853 -5.3853 -5.2203 -5.2203 -3.3106 -3.3106 -2.6818 -2.6818 -1.8419 -1.8419 -1.2282 -1.2282 -1.0440 -1.0440 -0.6457 -0.6457 0.2204 0.2204 0.2678 0.2678 0.4664 0.4664 0.6454 0.6454 0.6957 0.6957 1.0881 1.0881 1.6712 1.6712 1.8133 1.8133 2.0940 2.0940 2.2443 2.2443 2.5175 2.5175 3.0766 3.0766 3.1912 3.1912 3.2123 3.2123 3.6796 3.6796 3.7667 3.7667 4.0137 4.0137 4.1173 4.1173 9.2219 9.2219 9.6020 9.6020 10.5545 10.5545 10.7961 10.7961 11.0497 11.0497 11.1458 11.1458 13.4307 13.4307 k = 0.0000 0.7583 0.4666 ( 5932 PWs) bands (ev): -16.3914 -16.3914 -16.3479 -16.3479 -14.6313 -14.6313 -14.1956 -14.1956 -13.8176 -13.8176 -13.7394 -13.7394 -13.6689 -13.6689 -13.5090 -13.5090 -5.3883 -5.3883 -5.2213 -5.2213 -3.3029 -3.3029 -2.6783 -2.6783 -1.8489 -1.8489 -1.2222 -1.2222 -1.0402 -1.0402 -0.6386 -0.6386 0.2336 0.2336 0.2516 0.2516 0.4591 0.4591 0.6523 0.6523 0.6893 0.6893 1.0780 1.0780 1.6687 1.6687 1.8176 1.8176 2.0866 2.0866 2.2416 2.2416 2.5116 2.5116 3.0919 3.0919 3.1944 3.1944 3.2091 3.2091 3.6914 3.6914 3.7728 3.7728 4.0121 4.0121 4.1154 4.1154 9.2429 9.2429 9.6205 9.6205 10.5524 10.5524 10.7744 10.7744 11.0348 11.0348 11.1365 11.1365 13.4252 13.4252 k = 0.0000 0.7600 0.4876 ( 5931 PWs) bands (ev): -16.3897 -16.3897 -16.3460 -16.3460 -14.6351 -14.6351 -14.1982 -14.1982 -13.8162 -13.8162 -13.7386 -13.7386 -13.6696 -13.6696 -13.5098 -13.5098 -5.3921 -5.3921 -5.2213 -5.2213 -3.2962 -3.2962 -2.6746 -2.6746 -1.8548 -1.8548 -1.2171 -1.2171 -1.0371 -1.0371 -0.6324 -0.6324 0.2337 0.2337 0.2489 0.2489 0.4526 0.4526 0.6585 0.6585 0.6838 0.6838 1.0686 1.0686 1.6653 1.6653 1.8231 1.8231 2.0798 2.0798 2.2392 2.2392 2.5063 2.5063 3.1064 3.1064 3.1881 3.1881 3.2144 3.2144 3.7020 3.7020 3.7783 3.7783 4.0102 4.0102 4.1137 4.1137 9.2624 9.2624 9.6366 9.6366 10.5517 10.5517 10.7531 10.7531 11.0206 11.0206 11.1302 11.1302 13.4198 13.4198 k = 0.0000 0.7617 0.5085 ( 5941 PWs) bands (ev): -16.3886 -16.3886 -16.3440 -16.3440 -14.6383 -14.6383 -14.2003 -14.2003 -13.8149 -13.8149 -13.7379 -13.7379 -13.6702 -13.6702 -13.5105 -13.5105 -5.3965 -5.3965 -5.2203 -5.2203 -3.2907 -3.2907 -2.6708 -2.6708 -1.8597 -1.8597 -1.2129 -1.2129 -1.0347 -1.0347 -0.6270 -0.6270 0.2191 0.2191 0.2617 0.2617 0.4469 0.4469 0.6634 0.6634 0.6796 0.6796 1.0599 1.0599 1.6613 1.6613 1.8293 1.8293 2.0738 2.0738 2.2372 2.2372 2.5018 2.5018 3.1197 3.1197 3.1805 3.1805 3.2200 3.2200 3.7113 3.7113 3.7833 3.7833 4.0082 4.0082 4.1123 4.1123 9.2799 9.2799 9.6500 9.6500 10.5528 10.5528 10.7326 10.7326 11.0079 11.0079 11.1264 11.1264 13.4143 13.4143 k = 0.0000 0.7634 0.5295 ( 5936 PWs) bands (ev): -16.3883 -16.3883 -16.3420 -16.3420 -14.6408 -14.6408 -14.2020 -14.2020 -13.8138 -13.8138 -13.7375 -13.7375 -13.6705 -13.6705 -13.5110 -13.5110 -5.4014 -5.4014 -5.2183 -5.2183 -3.2863 -3.2863 -2.6669 -2.6669 -1.8636 -1.8636 -1.2097 -1.2097 -1.0330 -1.0330 -0.6226 -0.6226 0.2048 0.2048 0.2748 0.2748 0.4421 0.4421 0.6658 0.6658 0.6780 0.6780 1.0522 1.0522 1.6570 1.6570 1.8359 1.8359 2.0687 2.0687 2.2354 2.2354 2.4982 2.4982 3.1316 3.1316 3.1738 3.1738 3.2242 3.2242 3.7193 3.7193 3.7875 3.7875 4.0059 4.0059 4.1112 4.1112 9.2951 9.2951 9.6604 9.6604 10.5556 10.5556 10.7138 10.7138 10.9968 10.9968 11.1249 11.1249 13.4089 13.4089 k = 0.0000 0.7651 0.5505 ( 5934 PWs) bands (ev): -16.3886 -16.3886 -16.3399 -16.3399 -14.6426 -14.6426 -14.2032 -14.2032 -13.8130 -13.8130 -13.7372 -13.7372 -13.6707 -13.6707 -13.5115 -13.5115 -5.4068 -5.4068 -5.2156 -5.2156 -3.2833 -3.2833 -2.6630 -2.6630 -1.8663 -1.8663 -1.2075 -1.2075 -1.0321 -1.0321 -0.6191 -0.6191 0.1915 0.1915 0.2877 0.2877 0.4381 0.4381 0.6645 0.6645 0.6798 0.6798 1.0455 1.0455 1.6526 1.6526 1.8428 1.8428 2.0644 2.0644 2.2340 2.2340 2.4955 2.4955 3.1419 3.1419 3.1684 3.1684 3.2265 3.2265 3.7260 3.7260 3.7909 3.7909 4.0035 4.0035 4.1104 4.1104 9.3072 9.3072 9.6679 9.6679 10.5600 10.5600 10.6975 10.6975 10.9878 10.9878 11.1254 11.1254 13.4035 13.4035 k = 0.5000 0.6663 0.6667 ( 5936 PWs) bands (ev): -16.3542 -16.3542 -16.3532 -16.3532 -14.5041 -14.5041 -14.5034 -14.5034 -13.8481 -13.8481 -13.8477 -13.8477 -13.4464 -13.4464 -13.4458 -13.4458 -4.7798 -4.7798 -4.7792 -4.7792 -3.8361 -3.8361 -3.8346 -3.8346 -1.6108 -1.6108 -1.6068 -1.6068 -0.8372 -0.8372 -0.8319 -0.8319 0.0521 0.0521 0.0537 0.0537 0.6728 0.6728 0.6780 0.6780 1.3472 1.3472 1.3507 1.3507 1.5427 1.5427 1.5433 1.5433 2.0337 2.0337 2.0339 2.0339 3.0319 3.0319 3.0328 3.0328 3.5264 3.5264 3.5283 3.5283 3.6530 3.6530 3.6549 3.6549 4.3002 4.3002 4.3053 4.3053 9.5103 9.5103 9.5511 9.5511 10.0444 10.0444 10.0948 10.0948 11.0022 11.0022 11.0093 11.0093 13.4569 13.4573 k = 0.5000 0.6448 0.6667 ( 5930 PWs) bands (ev): -16.3565 -16.3565 -16.3551 -16.3551 -14.5038 -14.5038 -14.5028 -14.5028 -13.8459 -13.8459 -13.8455 -13.8455 -13.4454 -13.4454 -13.4445 -13.4445 -4.7870 -4.7870 -4.7857 -4.7857 -3.8277 -3.8277 -3.8261 -3.8261 -1.6158 -1.6158 -1.6104 -1.6104 -0.8463 -0.8463 -0.8385 -0.8385 0.0488 0.0488 0.0511 0.0511 0.6671 0.6671 0.6750 0.6750 1.3629 1.3629 1.3678 1.3678 1.5483 1.5483 1.5487 1.5487 2.0361 2.0361 2.0366 2.0366 3.0196 3.0196 3.0199 3.0199 3.5287 3.5287 3.5312 3.5312 3.6514 3.6514 3.6542 3.6542 4.3038 4.3038 4.3120 4.3120 9.5153 9.5153 9.5466 9.5466 10.0395 10.0395 10.0892 10.0892 10.9896 10.9896 11.0077 11.0077 13.4642 13.4651 k = 0.5000 0.6233 0.6667 ( 5936 PWs) bands (ev): -16.3595 -16.3595 -16.3577 -16.3577 -14.5031 -14.5031 -14.5019 -14.5019 -13.8430 -13.8430 -13.8425 -13.8425 -13.4441 -13.4441 -13.4429 -13.4429 -4.7972 -4.7972 -4.7952 -4.7952 -3.8155 -3.8155 -3.8139 -3.8139 -1.6224 -1.6224 -1.6155 -1.6155 -0.8582 -0.8582 -0.8479 -0.8479 0.0456 0.0456 0.0485 0.0485 0.6602 0.6602 0.6703 0.6703 1.3801 1.3801 1.3861 1.3861 1.5590 1.5590 1.5590 1.5590 2.0392 2.0392 2.0399 2.0399 3.0029 3.0029 3.0032 3.0032 3.5316 3.5316 3.5348 3.5348 3.6498 3.6498 3.6535 3.6535 4.3090 4.3090 4.3202 4.3202 9.5202 9.5202 9.5417 9.5417 10.0340 10.0340 10.0824 10.0824 10.9751 10.9751 11.0042 11.0042 13.4742 13.4749 k = 0.5000 0.6018 0.6667 ( 5934 PWs) bands (ev): -16.3632 -16.3632 -16.3611 -16.3611 -14.5021 -14.5021 -14.5006 -14.5006 -13.8393 -13.8393 -13.8388 -13.8388 -13.4426 -13.4426 -13.4411 -13.4411 -4.8101 -4.8101 -4.8075 -4.8075 -3.7999 -3.7999 -3.7983 -3.7983 -1.6304 -1.6304 -1.6221 -1.6221 -0.8729 -0.8729 -0.8600 -0.8600 0.0426 0.0426 0.0460 0.0460 0.6523 0.6523 0.6643 0.6643 1.3972 1.3972 1.4040 1.4040 1.5752 1.5752 1.5755 1.5755 2.0430 2.0430 2.0439 2.0439 2.9823 2.9823 2.9833 2.9833 3.5348 3.5348 3.5387 3.5387 3.6481 3.6481 3.6529 3.6529 4.3157 4.3157 4.3298 4.3298 9.5250 9.5250 9.5364 9.5364 10.0278 10.0278 10.0746 10.0746 10.9590 10.9590 10.9987 10.9987 13.4864 13.4881 k = 0.5000 0.5803 0.6667 ( 5938 PWs) bands (ev): -16.3677 -16.3677 -16.3651 -16.3651 -14.5009 -14.5009 -14.4991 -14.4991 -13.8349 -13.8349 -13.8344 -13.8344 -13.4407 -13.4407 -13.4390 -13.4390 -4.8255 -4.8255 -4.8223 -4.8223 -3.7811 -3.7811 -3.7794 -3.7794 -1.6398 -1.6398 -1.6299 -1.6299 -0.8903 -0.8903 -0.8747 -0.8747 0.0402 0.0402 0.0439 0.0439 0.6436 0.6436 0.6572 0.6572 1.4132 1.4132 1.4204 1.4204 1.5977 1.5977 1.5981 1.5981 2.0475 2.0475 2.0485 2.0485 2.9585 2.9585 2.9604 2.9604 3.5378 3.5378 3.5426 3.5426 3.6467 3.6467 3.6525 3.6525 4.3238 4.3238 4.3407 4.3407 9.5297 9.5297 9.5307 9.5307 10.0212 10.0212 10.0658 10.0658 10.9413 10.9413 10.9915 10.9915 13.5005 13.5025 k = 0.5000 0.5588 0.6667 ( 5934 PWs) bands (ev): -16.3727 -16.3727 -16.3699 -16.3699 -14.4994 -14.4994 -14.4974 -14.4974 -13.8299 -13.8299 -13.8294 -13.8294 -13.4386 -13.4386 -13.4365 -13.4365 -4.8430 -4.8430 -4.8393 -4.8393 -3.7595 -3.7595 -3.7578 -3.7578 -1.6504 -1.6504 -1.6390 -1.6390 -0.9103 -0.9103 -0.8919 -0.8919 0.0386 0.0386 0.0426 0.0426 0.6343 0.6343 0.6491 0.6491 1.4274 1.4274 1.4348 1.4348 1.6260 1.6260 1.6267 1.6267 2.0528 2.0528 2.0538 2.0538 2.9321 2.9321 2.9348 2.9348 3.5401 3.5401 3.5458 3.5458 3.6456 3.6456 3.6525 3.6525 4.3334 4.3334 4.3527 4.3527 9.5245 9.5245 9.5342 9.5342 10.0142 10.0142 10.0561 10.0561 10.9225 10.9225 10.9827 10.9827 13.5157 13.5180 k = 0.5000 0.5373 0.6667 ( 5934 PWs) bands (ev): -16.3783 -16.3783 -16.3752 -16.3752 -14.4976 -14.4976 -14.4955 -14.4955 -13.8242 -13.8242 -13.8237 -13.8237 -13.4362 -13.4362 -13.4338 -13.4338 -4.8623 -4.8623 -4.8581 -4.8581 -3.7354 -3.7354 -3.7336 -3.7336 -1.6620 -1.6620 -1.6491 -1.6491 -0.9327 -0.9327 -0.9115 -0.9115 0.0380 0.0380 0.0422 0.0422 0.6247 0.6247 0.6403 0.6403 1.4399 1.4399 1.4473 1.4473 1.6593 1.6593 1.6602 1.6602 2.0589 2.0589 2.0599 2.0599 2.9036 2.9036 2.9071 2.9071 3.5416 3.5416 3.5481 3.5481 3.6452 3.6452 3.6529 3.6529 4.3442 4.3442 4.3659 4.3659 9.5176 9.5176 9.5384 9.5384 10.0072 10.0072 10.0457 10.0457 10.9029 10.9029 10.9726 10.9726 13.5319 13.5337 k = 0.5000 0.5159 0.6667 ( 5936 PWs) bands (ev): -16.3844 -16.3844 -16.3810 -16.3810 -14.4957 -14.4957 -14.4934 -14.4934 -13.8181 -13.8181 -13.8176 -13.8176 -13.4334 -13.4334 -13.4309 -13.4309 -4.8830 -4.8830 -4.8784 -4.8784 -3.7092 -3.7092 -3.7072 -3.7072 -1.6746 -1.6746 -1.6601 -1.6601 -0.9574 -0.9574 -0.9334 -0.9334 0.0385 0.0385 0.0428 0.0428 0.6149 0.6149 0.6311 0.6311 1.4511 1.4511 1.4584 1.4584 1.6960 1.6960 1.6973 1.6973 2.0661 2.0661 2.0670 2.0670 2.8733 2.8733 2.8777 2.8777 3.5420 3.5420 3.5491 3.5491 3.6454 3.6454 3.6538 3.6538 4.3562 4.3562 4.3800 4.3800 9.5102 9.5102 9.5422 9.5422 10.0002 10.0002 10.0348 10.0348 10.8826 10.8826 10.9615 10.9615 13.5473 13.5493 k = 0.5000 0.4944 0.6667 ( 5938 PWs) bands (ev): -16.3910 -16.3910 -16.3873 -16.3873 -14.4937 -14.4937 -14.4912 -14.4912 -13.8114 -13.8114 -13.8109 -13.8109 -13.4304 -13.4304 -13.4276 -13.4276 -4.9049 -4.9049 -4.9000 -4.9000 -3.6811 -3.6811 -3.6790 -3.6790 -1.6879 -1.6879 -1.6718 -1.6718 -0.9841 -0.9841 -0.9573 -0.9573 0.0400 0.0400 0.0443 0.0443 0.6051 0.6051 0.6217 0.6217 1.4614 1.4614 1.4687 1.4687 1.7349 1.7349 1.7364 1.7364 2.0745 2.0745 2.0751 2.0751 2.8417 2.8417 2.8470 2.8470 3.5413 3.5413 3.5488 3.5488 3.6463 3.6463 3.6552 3.6552 4.3692 4.3692 4.3948 4.3948 9.5021 9.5021 9.5456 9.5456 9.9935 9.9935 10.0234 10.0234 10.8622 10.8622 10.9495 10.9495 13.5621 13.5635 k = 0.5000 0.4729 0.6667 ( 5946 PWs) bands (ev): -16.3979 -16.3979 -16.3941 -16.3941 -14.4915 -14.4915 -14.4889 -14.4889 -13.8044 -13.8044 -13.8039 -13.8039 -13.4271 -13.4271 -13.4240 -13.4240 -4.9277 -4.9277 -4.9224 -4.9224 -3.6515 -3.6515 -3.6493 -3.6493 -1.7017 -1.7017 -1.6840 -1.6840 -1.0126 -1.0126 -0.9831 -0.9831 0.0425 0.0425 0.0468 0.0468 0.5955 0.5955 0.6123 0.6123 1.4714 1.4714 1.4786 1.4786 1.7744 1.7744 1.7762 1.7762 2.0845 2.0845 2.0847 2.0847 2.8092 2.8092 2.8153 2.8153 3.5394 3.5394 3.5470 3.5470 3.6479 3.6479 3.6570 3.6570 4.3831 4.3831 4.4103 4.4103 9.4933 9.4933 9.5482 9.5482 9.9870 9.9870 10.0118 10.0118 10.8418 10.8418 10.9369 10.9369 13.5752 13.5776 k = 0.5000 0.4514 0.6667 ( 5944 PWs) bands (ev): -16.4051 -16.4051 -16.4011 -16.4011 -14.4893 -14.4893 -14.4867 -14.4867 -13.7971 -13.7971 -13.7966 -13.7966 -13.4235 -13.4235 -13.4202 -13.4202 -4.9511 -4.9511 -4.9456 -4.9456 -3.6207 -3.6207 -3.6184 -3.6184 -1.7158 -1.7158 -1.6965 -1.6965 -1.0427 -1.0427 -1.0105 -1.0105 0.0460 0.0460 0.0502 0.0502 0.5862 0.5862 0.6030 0.6030 1.4813 1.4813 1.4885 1.4885 1.8131 1.8131 1.8151 1.8151 2.0961 2.0961 2.0966 2.0966 2.7760 2.7760 2.7831 2.7831 3.5365 3.5365 3.5441 3.5441 3.6501 3.6501 3.6591 3.6591 4.3978 4.3978 4.4263 4.4263 9.4839 9.4839 9.5499 9.5499 9.9810 9.9810 10.0002 10.0002 10.8219 10.8219 10.9239 10.9239 13.5862 13.5874 k = 0.5000 0.4299 0.6667 ( 5942 PWs) bands (ev): -16.4125 -16.4125 -16.4084 -16.4084 -14.4871 -14.4871 -14.4844 -14.4844 -13.7895 -13.7895 -13.7891 -13.7891 -13.4196 -13.4196 -13.4161 -13.4161 -4.9749 -4.9749 -4.9692 -4.9692 -3.5889 -3.5889 -3.5865 -3.5865 -1.7301 -1.7301 -1.7091 -1.7091 -1.0742 -1.0742 -1.0394 -1.0394 0.0502 0.0502 0.0543 0.0543 0.5774 0.5774 0.5940 0.5940 1.4913 1.4913 1.4985 1.4985 1.8497 1.8497 1.8517 1.8517 2.1100 2.1100 2.1114 2.1114 2.7427 2.7427 2.7505 2.7505 3.5327 3.5327 3.5401 3.5401 3.6525 3.6525 3.6613 3.6613 4.4131 4.4131 4.4427 4.4427 9.4738 9.4738 9.5507 9.5507 9.9755 9.9755 9.9888 9.9888 10.8026 10.8026 10.9107 10.9107 13.5942 13.5972 k = 0.5000 0.4084 0.6667 ( 5936 PWs) bands (ev): -16.4201 -16.4201 -16.4159 -16.4159 -14.4848 -14.4848 -14.4821 -14.4821 -13.7817 -13.7817 -13.7814 -13.7814 -13.4154 -13.4154 -13.4117 -13.4117 -4.9989 -4.9989 -4.9930 -4.9930 -3.5565 -3.5565 -3.5539 -3.5539 -1.7442 -1.7442 -1.7215 -1.7215 -1.1068 -1.1068 -1.0695 -1.0695 0.0549 0.0549 0.0590 0.0590 0.5691 0.5691 0.5854 0.5854 1.5016 1.5016 1.5088 1.5088 1.8829 1.8829 1.8846 1.8846 2.1269 2.1269 2.1296 2.1296 2.7095 2.7095 2.7180 2.7180 3.5282 3.5282 3.5353 3.5353 3.6551 3.6551 3.6636 3.6636 4.4290 4.4290 4.4593 4.4593 9.4632 9.4632 9.5501 9.5501 9.9706 9.9706 9.9779 9.9779 10.7844 10.7844 10.8976 10.8976 13.5994 13.6005 k = 0.5000 0.3869 0.6667 ( 5928 PWs) bands (ev): -16.4277 -16.4277 -16.4235 -16.4235 -14.4826 -14.4826 -14.4799 -14.4799 -13.7739 -13.7739 -13.7736 -13.7736 -13.4109 -13.4109 -13.4070 -13.4070 -5.0228 -5.0228 -5.0168 -5.0168 -3.5236 -3.5236 -3.5209 -3.5209 -1.7580 -1.7580 -1.7336 -1.7336 -1.1403 -1.1403 -1.1007 -1.1007 0.0601 0.0601 0.0640 0.0640 0.5614 0.5614 0.5774 0.5774 1.5122 1.5122 1.5194 1.5194 1.9112 1.9112 1.9124 1.9124 2.1475 2.1475 2.1518 2.1518 2.6767 2.6767 2.6859 2.6859 3.5232 3.5232 3.5298 3.5298 3.6577 3.6577 3.6658 3.6658 4.4452 4.4452 4.4760 4.4760 9.4522 9.4522 9.5482 9.5482 9.9662 9.9662 9.9676 9.9676 10.7675 10.7675 10.8846 10.8846 13.6005 13.6019 k = 0.5000 0.3654 0.6667 ( 5934 PWs) bands (ev): -16.4354 -16.4354 -16.4312 -16.4312 -14.4805 -14.4805 -14.4778 -14.4778 -13.7661 -13.7661 -13.7659 -13.7659 -13.4062 -13.4062 -13.4022 -13.4022 -5.0464 -5.0464 -5.0405 -5.0405 -3.4905 -3.4905 -3.4878 -3.4878 -1.7712 -1.7712 -1.7452 -1.7452 -1.1745 -1.1745 -1.1327 -1.1327 0.0656 0.0656 0.0693 0.0693 0.5546 0.5546 0.5701 0.5701 1.5232 1.5232 1.5304 1.5304 1.9341 1.9341 1.9347 1.9347 2.1720 2.1720 2.1778 2.1778 2.6447 2.6447 2.6545 2.6545 3.5178 3.5178 3.5240 3.5240 3.6603 3.6603 3.6678 3.6678 4.4616 4.4616 4.4926 4.4926 9.4408 9.4408 9.5447 9.5447 9.9582 9.9582 9.9624 9.9624 10.7521 10.7521 10.8721 10.8721 13.5984 13.5998 k = 0.5000 0.3439 0.6667 ( 5940 PWs) bands (ev): -16.4429 -16.4429 -16.4388 -16.4388 -14.4784 -14.4784 -14.4758 -14.4758 -13.7585 -13.7585 -13.7583 -13.7583 -13.4013 -13.4013 -13.3971 -13.3971 -5.0697 -5.0697 -5.0637 -5.0637 -3.4575 -3.4575 -3.4547 -3.4547 -1.7836 -1.7836 -1.7559 -1.7559 -1.2092 -1.2092 -1.1655 -1.1655 0.0710 0.0710 0.0746 0.0746 0.5485 0.5485 0.5634 0.5634 1.5346 1.5346 1.5418 1.5418 1.9513 1.9513 1.9513 1.9513 2.1999 2.1999 2.2072 2.2072 2.6139 2.6139 2.6240 2.6240 3.5122 3.5122 3.5179 3.5179 3.6626 3.6626 3.6697 3.6697 4.4781 4.4781 4.5090 4.5090 9.4293 9.4293 9.5396 9.5396 9.9497 9.9497 9.9590 9.9590 10.7384 10.7384 10.8600 10.8600 13.5935 13.5940 k = 0.5000 0.3224 0.6667 ( 5940 PWs) bands (ev): -16.4504 -16.4504 -16.4464 -16.4464 -14.4764 -14.4764 -14.4739 -14.4739 -13.7510 -13.7510 -13.7509 -13.7509 -13.3961 -13.3961 -13.3919 -13.3919 -5.0924 -5.0924 -5.0865 -5.0865 -3.4248 -3.4248 -3.4220 -3.4220 -1.7950 -1.7950 -1.7656 -1.7656 -1.2443 -1.2443 -1.1988 -1.1988 0.0763 0.0763 0.0798 0.0798 0.5433 0.5433 0.5576 0.5576 1.5465 1.5465 1.5536 1.5536 1.9628 1.9628 1.9632 1.9632 2.2304 2.2304 2.2390 2.2390 2.5845 2.5845 2.5950 2.5950 3.5065 3.5065 3.5117 3.5117 3.6647 3.6647 3.6713 3.6713 4.4945 4.4945 4.5251 4.5251 9.4178 9.4178 9.5328 9.5328 9.9423 9.9423 9.9562 9.9562 10.7266 10.7266 10.8486 10.8486 13.5855 13.5862 k = 0.5000 0.3009 0.6667 ( 5938 PWs) bands (ev): -16.4577 -16.4577 -16.4537 -16.4537 -14.4746 -14.4746 -14.4722 -14.4722 -13.7438 -13.7438 -13.7438 -13.7438 -13.3908 -13.3908 -13.3867 -13.3867 -5.1143 -5.1143 -5.1086 -5.1086 -3.3927 -3.3927 -3.3899 -3.3899 -1.8051 -1.8051 -1.7740 -1.7740 -1.2796 -1.2796 -1.2324 -1.2324 0.0814 0.0814 0.0846 0.0846 0.5390 0.5390 0.5526 0.5526 1.5588 1.5588 1.5658 1.5658 1.9698 1.9698 1.9705 1.9705 2.2624 2.2624 2.2720 2.2720 2.5568 2.5568 2.5676 2.5676 3.5009 3.5009 3.5055 3.5055 3.6666 3.6666 3.6727 3.6727 4.5108 4.5108 4.5407 4.5407 9.4065 9.4065 9.5244 9.5244 9.9361 9.9361 9.9536 9.9536 10.7167 10.7167 10.8378 10.8378 13.5751 13.5773 k = 0.5000 0.2794 0.6667 ( 5942 PWs) bands (ev): -16.4647 -16.4647 -16.4609 -16.4609 -14.4728 -14.4728 -14.4706 -14.4706 -13.7369 -13.7369 -13.7369 -13.7369 -13.3855 -13.3855 -13.3813 -13.3813 -5.1354 -5.1354 -5.1298 -5.1298 -3.3614 -3.3614 -3.3586 -3.3586 -1.8137 -1.8137 -1.7810 -1.7810 -1.3150 -1.3150 -1.2664 -1.2664 0.0861 0.0861 0.0891 0.0891 0.5356 0.5356 0.5485 0.5485 1.5715 1.5715 1.5785 1.5785 1.9730 1.9730 1.9738 1.9738 2.2947 2.2947 2.3050 2.3050 2.5312 2.5312 2.5420 2.5420 3.4953 3.4953 3.4995 3.4995 3.6682 3.6682 3.6738 3.6738 4.5268 4.5268 4.5557 4.5557 9.3956 9.3956 9.5145 9.5145 9.9309 9.9309 9.9514 9.9514 10.7088 10.7088 10.8278 10.8278 13.5632 13.5639 k = 0.5000 0.2579 0.6667 ( 5946 PWs) bands (ev): -16.4714 -16.4714 -16.4678 -16.4678 -14.4712 -14.4712 -14.4691 -14.4691 -13.7305 -13.7305 -13.7304 -13.7304 -13.3801 -13.3801 -13.3760 -13.3760 -5.1555 -5.1555 -5.1501 -5.1501 -3.3311 -3.3311 -3.3284 -3.3284 -1.8206 -1.8206 -1.7863 -1.7863 -1.3503 -1.3503 -1.3005 -1.3005 0.0902 0.0902 0.0931 0.0931 0.5331 0.5331 0.5453 0.5453 1.5847 1.5847 1.5915 1.5915 1.9728 1.9728 1.9736 1.9736 2.3266 2.3266 2.3373 2.3373 2.5079 2.5079 2.5187 2.5187 3.4900 3.4900 3.4938 3.4938 3.6695 3.6695 3.6747 3.6747 4.5423 4.5423 4.5700 4.5700 9.3852 9.3852 9.5033 9.5033 9.9267 9.9267 9.9493 9.9493 10.7030 10.7030 10.8184 10.8184 13.5508 13.5530 k = 0.5000 0.2364 0.6667 ( 5948 PWs) bands (ev): -16.4777 -16.4777 -16.4743 -16.4743 -14.4697 -14.4697 -14.4677 -14.4677 -13.7244 -13.7244 -13.7243 -13.7243 -13.3747 -13.3747 -13.3707 -13.3707 -5.1744 -5.1744 -5.1693 -5.1693 -3.3022 -3.3022 -3.2996 -3.2996 -1.8257 -1.8257 -1.7897 -1.7897 -1.3854 -1.3854 -1.3345 -1.3345 0.0939 0.0939 0.0966 0.0966 0.5314 0.5314 0.5428 0.5428 1.5982 1.5982 1.6050 1.6050 1.9697 1.9697 1.9704 1.9704 2.3573 2.3573 2.3682 2.3682 2.4872 2.4872 2.4978 2.4978 3.4851 3.4851 3.4884 3.4884 3.6706 3.6706 3.6753 3.6753 4.5572 4.5572 4.5835 4.5835 9.3756 9.3756 9.4909 9.4909 9.9235 9.9235 9.9474 9.9474 10.6991 10.6991 10.8098 10.8098 13.5368 13.5387 k = 0.5000 0.2149 0.6667 ( 5952 PWs) bands (ev): -16.4837 -16.4837 -16.4805 -16.4805 -14.4683 -14.4683 -14.4665 -14.4665 -13.7188 -13.7188 -13.7186 -13.7186 -13.3694 -13.3694 -13.3656 -13.3656 -5.1921 -5.1921 -5.1873 -5.1873 -3.2747 -3.2747 -3.2723 -3.2723 -1.8287 -1.8287 -1.7911 -1.7911 -1.4201 -1.4201 -1.3684 -1.3684 0.0970 0.0970 0.0995 0.0995 0.5306 0.5306 0.5411 0.5411 1.6121 1.6121 1.6187 1.6187 1.9639 1.9639 1.9644 1.9644 2.3861 2.3861 2.3969 2.3969 2.4692 2.4692 2.4794 2.4794 3.4805 3.4805 3.4834 3.4834 3.6714 3.6714 3.6757 3.6757 4.5714 4.5714 4.5960 4.5960 9.3670 9.3670 9.4778 9.4778 9.9211 9.9211 9.9454 9.9454 10.6971 10.6971 10.8019 10.8019 13.5228 13.5241 k = 0.5000 0.1934 0.6667 ( 5954 PWs) bands (ev): -16.4891 -16.4891 -16.4862 -16.4862 -14.4671 -14.4671 -14.4654 -14.4654 -13.7137 -13.7137 -13.7135 -13.7135 -13.3643 -13.3643 -13.3607 -13.3607 -5.2084 -5.2084 -5.2040 -5.2040 -3.2491 -3.2491 -3.2468 -3.2468 -1.8294 -1.8294 -1.7903 -1.7903 -1.4544 -1.4544 -1.4021 -1.4021 0.0996 0.0996 0.1019 0.1019 0.5304 0.5304 0.5400 0.5400 1.6263 1.6263 1.6327 1.6327 1.9559 1.9559 1.9562 1.9562 2.4122 2.4122 2.4223 2.4223 2.4549 2.4549 2.4641 2.4641 3.4763 3.4763 3.4789 3.4789 3.6720 3.6720 3.6759 3.6759 4.5848 4.5848 4.6076 4.6076 9.3595 9.3595 9.4640 9.4640 9.9194 9.9194 9.9435 9.9435 10.6969 10.6969 10.7945 10.7945 13.5092 13.5106 k = 0.5000 0.1720 0.6667 ( 5954 PWs) bands (ev): -16.4941 -16.4941 -16.4915 -16.4915 -14.4660 -14.4660 -14.4645 -14.4645 -13.7091 -13.7091 -13.7089 -13.7089 -13.3594 -13.3594 -13.3561 -13.3561 -5.2232 -5.2232 -5.2192 -5.2192 -3.2254 -3.2254 -3.2233 -3.2233 -1.8279 -1.8279 -1.7872 -1.7872 -1.4881 -1.4881 -1.4353 -1.4353 0.1016 0.1016 0.1037 0.1037 0.5308 0.5308 0.5394 0.5394 1.6408 1.6408 1.6469 1.6469 1.9458 1.9458 1.9459 1.9459 2.4321 2.4321 2.4340 2.4340 2.4544 2.4544 2.4552 2.4552 3.4727 3.4727 3.4749 3.4749 3.6725 3.6725 3.6759 3.6759 4.5973 4.5973 4.6180 4.6180 9.3532 9.3532 9.4500 9.4500 9.9184 9.9184 9.9416 9.9416 10.6981 10.6981 10.7877 10.7877 13.4960 13.4974 k = 0.5000 0.1505 0.6667 ( 5958 PWs) bands (ev): -16.4986 -16.4986 -16.4962 -16.4962 -14.4650 -14.4650 -14.4637 -14.4637 -13.7050 -13.7050 -13.7048 -13.7048 -13.3549 -13.3549 -13.3519 -13.3519 -5.2365 -5.2365 -5.2330 -5.2330 -3.2040 -3.2040 -3.2021 -3.2021 -1.8238 -1.8238 -1.7818 -1.7818 -1.5209 -1.5209 -1.4680 -1.4680 0.1032 0.1032 0.1051 0.1051 0.5317 0.5317 0.5393 0.5393 1.6554 1.6554 1.6612 1.6612 1.9340 1.9340 1.9341 1.9341 2.4264 2.4264 2.4322 2.4322 2.4657 2.4657 2.4727 2.4727 3.4695 3.4695 3.4714 3.4714 3.6728 3.6728 3.6758 3.6758 4.6087 4.6087 4.6272 4.6272 9.3483 9.3483 9.4360 9.4360 9.9179 9.9179 9.9396 9.9396 10.7007 10.7007 10.7812 10.7812 13.4840 13.4850 k = 0.5000 0.1290 0.6667 ( 5960 PWs) bands (ev): -16.5025 -16.5025 -16.5005 -16.5005 -14.4642 -14.4642 -14.4630 -14.4630 -13.7015 -13.7015 -13.7012 -13.7012 -13.3508 -13.3508 -13.3481 -13.3481 -5.2482 -5.2482 -5.2451 -5.2451 -3.1849 -3.1849 -3.1833 -3.1833 -1.8173 -1.8173 -1.7740 -1.7740 -1.5528 -1.5528 -1.4999 -1.4999 0.1044 0.1044 0.1060 0.1060 0.5328 0.5328 0.5394 0.5394 1.6701 1.6701 1.6755 1.6755 1.9209 1.9209 1.9213 1.9213 2.4183 2.4183 2.4244 2.4244 2.4835 2.4835 2.4908 2.4908 3.4669 3.4669 3.4684 3.4684 3.6730 3.6730 3.6755 3.6755 4.6190 4.6190 4.6352 4.6352 9.3449 9.3449 9.4223 9.4223 9.9179 9.9179 9.9375 9.9375 10.7044 10.7044 10.7750 10.7750 13.4735 13.4748 k = 0.5000 0.1075 0.6667 ( 5962 PWs) bands (ev): -16.5058 -16.5058 -16.5041 -16.5041 -14.4635 -14.4635 -14.4625 -14.4625 -13.6985 -13.6985 -13.6982 -13.6982 -13.3471 -13.3471 -13.3448 -13.3448 -5.2582 -5.2582 -5.2555 -5.2555 -3.1685 -3.1685 -3.1672 -3.1672 -1.8083 -1.8083 -1.7639 -1.7639 -1.5834 -1.5834 -1.5309 -1.5309 0.1053 0.1053 0.1067 0.1067 0.5342 0.5342 0.5397 0.5397 1.6846 1.6846 1.6895 1.6895 1.9072 1.9072 1.9078 1.9078 2.4118 2.4118 2.4173 2.4173 2.4998 2.4998 2.5063 2.5063 3.4647 3.4647 3.4660 3.4660 3.6731 3.6731 3.6752 3.6752 4.6282 4.6282 4.6418 4.6418 9.3430 9.3430 9.4091 9.4091 9.9183 9.9183 9.9354 9.9354 10.7091 10.7091 10.7690 10.7690 13.4639 13.4651 k = 0.5000 0.0860 0.6667 ( 5966 PWs) bands (ev): -16.5086 -16.5086 -16.5071 -16.5071 -14.4628 -14.4628 -14.4621 -14.4621 -13.6960 -13.6960 -13.6958 -13.6958 -13.3439 -13.3439 -13.3421 -13.3421 -5.2663 -5.2663 -5.2642 -5.2642 -3.1548 -3.1548 -3.1538 -3.1538 -1.7969 -1.7969 -1.7518 -1.7518 -1.6123 -1.6123 -1.5607 -1.5607 0.1059 0.1059 0.1070 0.1070 0.5356 0.5356 0.5401 0.5401 1.6986 1.6986 1.7030 1.7030 1.8935 1.8935 1.8943 1.8943 2.4069 2.4069 2.4114 2.4114 2.5135 2.5135 2.5190 2.5190 3.4630 3.4630 3.4640 3.4640 3.6732 3.6732 3.6749 3.6749 4.6360 4.6360 4.6470 4.6470 9.3427 9.3427 9.3966 9.3966 9.9191 9.9191 9.9332 9.9332 10.7144 10.7144 10.7631 10.7631 13.4564 13.4572 k = 0.5000 0.0645 0.6667 ( 5968 PWs) bands (ev): -16.5106 -16.5106 -16.5096 -16.5096 -14.4624 -14.4624 -14.4618 -14.4618 -13.6941 -13.6941 -13.6939 -13.6939 -13.3414 -13.3414 -13.3400 -13.3400 -5.2727 -5.2727 -5.2711 -5.2711 -3.1440 -3.1440 -3.1432 -3.1432 -1.7830 -1.7830 -1.7383 -1.7383 -1.6389 -1.6389 -1.5892 -1.5892 0.1064 0.1064 0.1072 0.1072 0.5369 0.5369 0.5403 0.5403 1.7115 1.7115 1.7152 1.7152 1.8806 1.8806 1.8816 1.8816 2.4034 2.4034 2.4069 2.4069 2.5245 2.5245 2.5288 2.5288 3.4617 3.4617 3.4625 3.4625 3.6733 3.6733 3.6746 3.6746 4.6425 4.6425 4.6508 4.6508 9.3441 9.3441 9.3851 9.3851 9.9202 9.9202 9.9310 9.9310 10.7202 10.7202 10.7571 10.7571 13.4498 13.4506 k = 0.5000 0.0430 0.6667 ( 5974 PWs) bands (ev): -16.5121 -16.5121 -16.5114 -16.5114 -14.4620 -14.4620 -14.4616 -14.4616 -13.6927 -13.6927 -13.6926 -13.6926 -13.3395 -13.3395 -13.3385 -13.3385 -5.2772 -5.2772 -5.2761 -5.2761 -3.1362 -3.1362 -3.1357 -3.1357 -1.7671 -1.7671 -1.7256 -1.7256 -1.6608 -1.6608 -1.6158 -1.6158 0.1067 0.1067 0.1073 0.1073 0.5381 0.5381 0.5404 0.5404 1.7226 1.7226 1.7253 1.7253 1.8698 1.8698 1.8706 1.8706 2.4012 2.4012 2.4036 2.4036 2.5326 2.5326 2.5355 2.5355 3.4609 3.4609 3.4614 3.4614 3.6733 3.6733 3.6742 3.6742 4.6475 4.6475 4.6531 4.6531 9.3471 9.3471 9.3748 9.3748 9.9215 9.9215 9.9289 9.9289 10.7263 10.7263 10.7511 10.7511 13.4454 13.4462 k = 0.5000 0.0215 0.6667 ( 5976 PWs) bands (ev): -16.5129 -16.5129 -16.5125 -16.5125 -14.4617 -14.4617 -14.4615 -14.4615 -13.6918 -13.6918 -13.6918 -13.6918 -13.3382 -13.3382 -13.3377 -13.3377 -5.2798 -5.2798 -5.2792 -5.2792 -3.1314 -3.1314 -3.1312 -3.1312 -1.7497 -1.7497 -1.7212 -1.7212 -1.6703 -1.6703 -1.6401 -1.6401 0.1069 0.1069 0.1072 0.1072 0.5391 0.5391 0.5402 0.5402 1.7305 1.7305 1.7319 1.7319 1.8624 1.8624 1.8629 1.8629 2.4002 2.4002 2.4014 2.4014 2.5377 2.5377 2.5392 2.5392 3.4605 3.4605 3.4607 3.4607 3.6735 3.6735 3.6739 3.6739 4.6511 4.6511 4.6539 4.6539 9.3518 9.3518 9.3657 9.3657 9.9231 9.9231 9.9269 9.9269 10.7325 10.7325 10.7450 10.7450 13.4430 13.4432 k = 0.5000-0.0000 0.6667 ( 5972 PWs) bands (ev): -16.5131 -16.5131 -16.5131 -16.5131 -14.4616 -14.4616 -14.4616 -14.4616 -13.6915 -13.6915 -13.6915 -13.6915 -13.3376 -13.3376 -13.3376 -13.3376 -5.2804 -5.2804 -5.2804 -5.2804 -3.1297 -3.1297 -3.1297 -3.1297 -1.7324 -1.7324 -1.7324 -1.7324 -1.6602 -1.6602 -1.6602 -1.6602 0.1071 0.1071 0.1071 0.1071 0.5398 0.5398 0.5398 0.5398 1.7339 1.7339 1.7339 1.7339 1.8600 1.8600 1.8600 1.8600 2.4003 2.4003 2.4003 2.4003 2.5400 2.5400 2.5400 2.5400 3.4604 3.4604 3.4604 3.4604 3.6737 3.6737 3.6737 3.6737 4.6533 4.6533 4.6533 4.6533 9.3580 9.3580 9.3580 9.3580 9.9249 9.9249 9.9249 9.9249 10.7388 10.7388 10.7388 10.7388 13.4421 13.4421 k = 0.5000-0.0000 0.6667 ( 5972 PWs) bands (ev): -16.5131 -16.5131 -16.5131 -16.5131 -14.4616 -14.4616 -14.4616 -14.4616 -13.6915 -13.6915 -13.6915 -13.6915 -13.3376 -13.3376 -13.3376 -13.3376 -5.2804 -5.2804 -5.2804 -5.2804 -3.1297 -3.1297 -3.1297 -3.1297 -1.7324 -1.7324 -1.7324 -1.7324 -1.6602 -1.6602 -1.6602 -1.6602 0.1071 0.1071 0.1071 0.1071 0.5398 0.5398 0.5398 0.5398 1.7339 1.7339 1.7339 1.7339 1.8600 1.8600 1.8600 1.8600 2.4003 2.4003 2.4003 2.4003 2.5400 2.5400 2.5400 2.5400 3.4604 3.4604 3.4604 3.4604 3.6737 3.6737 3.6737 3.6737 4.6533 4.6533 4.6533 4.6533 9.3580 9.3580 9.3580 9.3580 9.9249 9.9249 9.9249 9.9249 10.7388 10.7388 10.7388 10.7388 13.4421 13.4421 k = 0.5000-0.0000 0.6452 ( 5976 PWs) bands (ev): -16.5133 -16.5133 -16.5132 -16.5132 -14.4612 -14.4612 -14.4611 -14.4611 -13.6916 -13.6916 -13.6915 -13.6915 -13.3377 -13.3377 -13.3377 -13.3377 -5.2814 -5.2814 -5.2811 -5.2811 -3.1291 -3.1291 -3.1290 -3.1290 -1.7365 -1.7365 -1.7286 -1.7286 -1.6632 -1.6632 -1.6559 -1.6559 0.1074 0.1074 0.1075 0.1075 0.5390 0.5390 0.5401 0.5401 1.7322 1.7322 1.7330 1.7330 1.8617 1.8617 1.8621 1.8621 2.4001 2.4001 2.4001 2.4001 2.5397 2.5397 2.5401 2.5401 3.4600 3.4600 3.4601 3.4601 3.6730 3.6730 3.6736 3.6736 4.6502 4.6502 4.6522 4.6522 9.3557 9.3557 9.3626 9.3626 9.9215 9.9215 9.9293 9.9293 10.7387 10.7387 10.7407 10.7407 13.4424 13.4425 k = 0.5000-0.0000 0.6237 ( 5976 PWs) bands (ev): -16.5139 -16.5139 -16.5138 -16.5138 -14.4599 -14.4599 -14.4597 -14.4597 -13.6917 -13.6917 -13.6916 -13.6916 -13.3381 -13.3381 -13.3379 -13.3379 -5.2841 -5.2841 -5.2835 -5.2835 -3.1271 -3.1271 -3.1268 -3.1268 -1.7405 -1.7405 -1.7253 -1.7253 -1.6643 -1.6643 -1.6505 -1.6505 0.1084 0.1084 0.1086 0.1086 0.5376 0.5376 0.5399 0.5399 1.7283 1.7283 1.7297 1.7297 1.8672 1.8672 1.8679 1.8679 2.3994 2.3994 2.3994 2.3994 2.5393 2.5393 2.5402 2.5402 3.4589 3.4589 3.4590 3.4590 3.6716 3.6716 3.6728 3.6728 4.6431 4.6431 4.6470 4.6470 9.3558 9.3558 9.3695 9.3695 9.9191 9.9191 9.9347 9.9347 10.7407 10.7407 10.7445 10.7445 13.4431 13.4434 k = 0.5000-0.0000 0.6022 ( 5972 PWs) bands (ev): -16.5149 -16.5149 -16.5148 -16.5148 -14.4578 -14.4578 -14.4574 -14.4574 -13.6918 -13.6918 -13.6917 -13.6917 -13.3386 -13.3386 -13.3384 -13.3384 -5.2885 -5.2885 -5.2876 -5.2876 -3.1237 -3.1237 -3.1233 -3.1233 -1.7443 -1.7443 -1.7229 -1.7229 -1.6634 -1.6634 -1.6442 -1.6442 0.1101 0.1101 0.1104 0.1104 0.5358 0.5358 0.5392 0.5392 1.7227 1.7227 1.7246 1.7246 1.8759 1.8759 1.8767 1.8767 2.3982 2.3982 2.3984 2.3984 2.5389 2.5389 2.5401 2.5401 3.4572 3.4572 3.4573 3.4573 3.6695 3.6695 3.6713 3.6713 4.6320 4.6320 4.6377 4.6377 9.3581 9.3581 9.3786 9.3786 9.9178 9.9178 9.9411 9.9411 10.7446 10.7446 10.7503 10.7503 13.4443 13.4451 k = 0.5000-0.0000 0.5807 ( 5972 PWs) bands (ev): -16.5163 -16.5163 -16.5161 -16.5161 -14.4548 -14.4548 -14.4544 -14.4544 -13.6920 -13.6920 -13.6919 -13.6919 -13.3394 -13.3394 -13.3391 -13.3391 -5.2944 -5.2944 -5.2932 -5.2932 -3.1190 -3.1190 -3.1185 -3.1185 -1.7477 -1.7477 -1.7217 -1.7217 -1.6603 -1.6603 -1.6371 -1.6371 0.1125 0.1125 0.1129 0.1129 0.5335 0.5335 0.5382 0.5382 1.7158 1.7158 1.7180 1.7180 1.8871 1.8871 1.8877 1.8877 2.3967 2.3967 2.3970 2.3970 2.5384 2.5384 2.5399 2.5399 3.4548 3.4548 3.4549 3.4549 3.6667 3.6667 3.6690 3.6690 4.6171 4.6171 4.6246 4.6246 9.3624 9.3624 9.3896 9.3896 9.9176 9.9176 9.9483 9.9483 10.7506 10.7506 10.7583 10.7583 13.4463 13.4467 k = 0.5000-0.0000 0.5592 ( 5972 PWs) bands (ev): -16.5180 -16.5180 -16.5178 -16.5178 -14.4510 -14.4510 -14.4504 -14.4504 -13.6923 -13.6923 -13.6921 -13.6921 -13.3403 -13.3403 -13.3400 -13.3400 -5.3018 -5.3018 -5.3003 -5.3003 -3.1131 -3.1131 -3.1125 -3.1125 -1.7508 -1.7508 -1.7216 -1.7216 -1.6549 -1.6549 -1.6292 -1.6292 0.1155 0.1155 0.1161 0.1161 0.5310 0.5310 0.5368 0.5368 1.7081 1.7081 1.7105 1.7105 1.9001 1.9001 1.9004 1.9004 2.3950 2.3950 2.3956 2.3956 2.5378 2.5378 2.5397 2.5397 3.4518 3.4518 3.4519 3.4519 3.6633 3.6633 3.6661 3.6661 4.5986 4.5986 4.6078 4.6078 9.3682 9.3682 9.4019 9.4019 9.9187 9.9187 9.9565 9.9565 10.7589 10.7589 10.7684 10.7684 13.4478 13.4490 k = 0.5000-0.0000 0.5377 ( 5978 PWs) bands (ev): -16.5201 -16.5201 -16.5199 -16.5199 -14.4464 -14.4464 -14.4458 -14.4458 -13.6926 -13.6926 -13.6924 -13.6924 -13.3414 -13.3414 -13.3410 -13.3410 -5.3106 -5.3106 -5.3089 -5.3089 -3.1060 -3.1060 -3.1054 -3.1054 -1.7534 -1.7534 -1.7224 -1.7224 -1.6475 -1.6475 -1.6208 -1.6208 0.1191 0.1191 0.1199 0.1199 0.5283 0.5283 0.5353 0.5353 1.6998 1.6998 1.7023 1.7023 1.9140 1.9140 1.9142 1.9142 2.3931 2.3931 2.3941 2.3941 2.5373 2.5373 2.5393 2.5393 3.4482 3.4482 3.4483 3.4483 3.6591 3.6591 3.6625 3.6625 4.5768 4.5768 4.5877 4.5877 9.3753 9.3753 9.4151 9.4151 9.9210 9.9210 9.9655 9.9655 10.7696 10.7696 10.7810 10.7810 13.4507 13.4517 k = 0.5000-0.0000 0.5161 ( 5978 PWs) bands (ev): -16.5225 -16.5225 -16.5222 -16.5222 -14.4411 -14.4411 -14.4404 -14.4404 -13.6929 -13.6929 -13.6927 -13.6927 -13.3427 -13.3427 -13.3423 -13.3423 -5.3207 -5.3207 -5.3188 -5.3188 -3.0979 -3.0979 -3.0972 -3.0972 -1.7556 -1.7556 -1.7237 -1.7237 -1.6386 -1.6386 -1.6117 -1.6117 0.1233 0.1233 0.1244 0.1244 0.5256 0.5256 0.5338 0.5338 1.6910 1.6910 1.6936 1.6936 1.9282 1.9282 1.9290 1.9290 2.3912 2.3912 2.3928 2.3928 2.5368 2.5368 2.5390 2.5390 3.4440 3.4440 3.4442 3.4442 3.6544 3.6544 3.6582 3.6582 4.5521 4.5521 4.5644 4.5644 9.3832 9.3832 9.4287 9.4287 9.9248 9.9248 9.9753 9.9753 10.7829 10.7829 10.7961 10.7961 13.4521 13.4542 k = 0.5000-0.0000 0.4946 ( 5974 PWs) bands (ev): -16.5251 -16.5251 -16.5249 -16.5249 -14.4351 -14.4351 -14.4343 -14.4343 -13.6934 -13.6934 -13.6931 -13.6931 -13.3442 -13.3442 -13.3437 -13.3437 -5.3320 -5.3320 -5.3299 -5.3299 -3.0889 -3.0889 -3.0881 -3.0881 -1.7574 -1.7574 -1.7255 -1.7255 -1.6284 -1.6284 -1.6021 -1.6021 0.1281 0.1281 0.1294 0.1294 0.5231 0.5231 0.5324 0.5324 1.6818 1.6818 1.6844 1.6844 1.9423 1.9423 1.9439 1.9439 2.3896 2.3896 2.3920 2.3920 2.5365 2.5365 2.5386 2.5386 3.4395 3.4395 3.4396 3.4396 3.6490 3.6490 3.6533 3.6533 4.5248 4.5248 4.5385 4.5385 9.3915 9.3915 9.4420 9.4420 9.9302 9.9302 9.9859 9.9859 10.7989 10.7989 10.8139 10.8139 13.4545 13.4564 k = 0.5000-0.0000 0.4731 ( 5972 PWs) bands (ev): -16.5281 -16.5281 -16.5278 -16.5278 -14.4284 -14.4284 -14.4276 -14.4276 -13.6938 -13.6938 -13.6935 -13.6935 -13.3458 -13.3458 -13.3453 -13.3453 -5.3443 -5.3443 -5.3420 -5.3420 -3.0791 -3.0791 -3.0783 -3.0783 -1.7588 -1.7588 -1.7274 -1.7274 -1.6171 -1.6171 -1.5920 -1.5920 0.1333 0.1333 0.1349 0.1349 0.5208 0.5208 0.5314 0.5314 1.6722 1.6722 1.6747 1.6747 1.9559 1.9559 1.9584 1.9584 2.3885 2.3885 2.3918 2.3918 2.5363 2.5363 2.5384 2.5384 3.4346 3.4346 3.4346 3.4346 3.6431 3.6431 3.6478 3.6478 4.4953 4.4953 4.5101 4.5101 9.3997 9.3997 9.4543 9.4543 9.9373 9.9373 9.9972 9.9972 10.8177 10.8177 10.8346 10.8346 13.4562 13.4584 k = 0.5000-0.0000 0.4516 ( 5968 PWs) bands (ev): -16.5312 -16.5312 -16.5309 -16.5309 -14.4212 -14.4212 -14.4203 -14.4203 -13.6943 -13.6943 -13.6940 -13.6940 -13.3476 -13.3476 -13.3470 -13.3470 -5.3575 -5.3575 -5.3550 -5.3550 -3.0687 -3.0687 -3.0677 -3.0677 -1.7599 -1.7599 -1.7295 -1.7295 -1.6050 -1.6050 -1.5813 -1.5813 0.1388 0.1388 0.1409 0.1409 0.5191 0.5191 0.5309 0.5309 1.6621 1.6621 1.6644 1.6644 1.9685 1.9685 1.9720 1.9720 2.3882 2.3882 2.3926 2.3926 2.5363 2.5363 2.5382 2.5382 3.4293 3.4293 3.4294 3.4294 3.6366 3.6366 3.6416 3.6416 4.4640 4.4640 4.4798 4.4798 9.4074 9.4074 9.4653 9.4653 9.9462 9.9462 10.0091 10.0091 10.8395 10.8395 10.8581 10.8581 13.4564 13.4588 k = 0.5000-0.0000 0.4301 ( 5970 PWs) bands (ev): -16.5346 -16.5346 -16.5343 -16.5343 -14.4135 -14.4135 -14.4126 -14.4126 -13.6948 -13.6948 -13.6945 -13.6945 -13.3495 -13.3495 -13.3488 -13.3488 -5.3713 -5.3713 -5.3688 -5.3688 -3.0577 -3.0577 -3.0567 -3.0567 -1.7608 -1.7608 -1.7316 -1.7316 -1.5921 -1.5921 -1.5702 -1.5702 0.1446 0.1446 0.1472 0.1472 0.5180 0.5180 0.5311 0.5311 1.6514 1.6514 1.6536 1.6536 1.9797 1.9797 1.9843 1.9843 2.3888 2.3888 2.3944 2.3944 2.5368 2.5368 2.5384 2.5384 3.4238 3.4238 3.4240 3.4240 3.6296 3.6296 3.6349 3.6349 4.4313 4.4313 4.4479 4.4479 9.4142 9.4142 9.4743 9.4743 9.9568 9.9568 10.0215 10.0215 10.8643 10.8643 10.8845 10.8845 13.4561 13.4599 k = 0.5000-0.0000 0.4086 ( 5968 PWs) bands (ev): -16.5381 -16.5381 -16.5378 -16.5378 -14.4054 -14.4054 -14.4044 -14.4044 -13.6954 -13.6954 -13.6950 -13.6950 -13.3515 -13.3515 -13.3508 -13.3508 -5.3857 -5.3857 -5.3831 -5.3831 -3.0464 -3.0464 -3.0453 -3.0453 -1.7614 -1.7614 -1.7337 -1.7337 -1.5786 -1.5786 -1.5586 -1.5586 0.1507 0.1507 0.1537 0.1537 0.5179 0.5179 0.5321 0.5321 1.6400 1.6400 1.6421 1.6421 1.9893 1.9893 1.9949 1.9949 2.3906 2.3906 2.3975 2.3975 2.5377 2.5377 2.5389 2.5389 3.4182 3.4182 3.4186 3.4186 3.6221 3.6221 3.6277 3.6277 4.3976 4.3976 4.4148 4.4148 9.4200 9.4200 9.4810 9.4810 9.9692 9.9692 10.0344 10.0344 10.8920 10.8920 10.9138 10.9138 13.4562 13.4595 k = 0.5000-0.0000 0.3871 ( 5962 PWs) bands (ev): -16.5417 -16.5417 -16.5413 -16.5413 -14.3970 -14.3970 -14.3959 -14.3959 -13.6960 -13.6960 -13.6956 -13.6956 -13.3536 -13.3536 -13.3529 -13.3529 -5.4005 -5.4005 -5.3978 -5.3978 -3.0347 -3.0347 -3.0337 -3.0337 -1.7620 -1.7620 -1.7357 -1.7357 -1.5647 -1.5647 -1.5466 -1.5466 0.1567 0.1567 0.1604 0.1604 0.5187 0.5187 0.5341 0.5341 1.6279 1.6279 1.6298 1.6298 1.9968 1.9968 2.0035 2.0035 2.3936 2.3936 2.4019 2.4019 2.5393 2.5393 2.5401 2.5401 3.4127 3.4127 3.4131 3.4131 3.6141 3.6141 3.6199 3.6199 4.3633 4.3633 4.3810 4.3810 9.4245 9.4245 9.4854 9.4854 9.9831 9.9831 10.0476 10.0476 10.9225 10.9225 10.9457 10.9457 13.4531 13.4581 k = 0.5000-0.0000 0.3656 ( 5964 PWs) bands (ev): -16.5453 -16.5453 -16.5450 -16.5450 -14.3883 -14.3883 -14.3872 -14.3872 -13.6966 -13.6966 -13.6962 -13.6962 -13.3558 -13.3558 -13.3551 -13.3551 -5.4156 -5.4156 -5.4128 -5.4128 -3.0230 -3.0230 -3.0220 -3.0220 -1.7624 -1.7624 -1.7378 -1.7378 -1.5503 -1.5503 -1.5343 -1.5343 0.1628 0.1628 0.1670 0.1670 0.5208 0.5208 0.5373 0.5373 1.6150 1.6150 1.6166 1.6166 2.0023 2.0023 2.0099 2.0099 2.3976 2.3976 2.4072 2.4072 2.5418 2.5418 2.5420 2.5420 3.4072 3.4072 3.4079 3.4079 3.6057 3.6057 3.6116 3.6116 4.3287 4.3287 4.3467 4.3467 9.4276 9.4276 9.4873 9.4873 9.9984 9.9984 10.0610 10.0610 10.9557 10.9557 10.9801 10.9801 13.4506 13.4556 k = 0.5000-0.0000 0.3441 ( 5956 PWs) bands (ev): -16.5490 -16.5490 -16.5487 -16.5487 -14.3795 -14.3795 -14.3784 -14.3784 -13.6972 -13.6972 -13.6968 -13.6968 -13.3581 -13.3581 -13.3573 -13.3573 -5.4307 -5.4307 -5.4279 -5.4279 -3.0113 -3.0113 -3.0103 -3.0103 -1.7627 -1.7627 -1.7399 -1.7399 -1.5357 -1.5357 -1.5217 -1.5217 0.1686 0.1686 0.1735 0.1735 0.5243 0.5243 0.5418 0.5418 1.6011 1.6011 1.6025 1.6025 2.0057 2.0057 2.0141 2.0141 2.4025 2.4025 2.4132 2.4132 2.5451 2.5451 2.5454 2.5454 3.4020 3.4020 3.4029 3.4029 3.5969 3.5969 3.6029 3.6029 4.2943 4.2943 4.3125 4.3125 9.4293 9.4293 9.4869 9.4869 10.0146 10.0146 10.0744 10.0744 10.9912 10.9912 11.0166 11.0166 13.4484 13.4518 k = 0.5000-0.0000 0.3226 ( 5954 PWs) bands (ev): -16.5528 -16.5528 -16.5524 -16.5524 -14.3705 -14.3705 -14.3694 -14.3694 -13.6979 -13.6979 -13.6975 -13.6975 -13.3604 -13.3604 -13.3596 -13.3596 -5.4457 -5.4457 -5.4429 -5.4429 -2.9998 -2.9998 -2.9987 -2.9987 -1.7630 -1.7630 -1.7420 -1.7420 -1.5209 -1.5209 -1.5088 -1.5088 0.1743 0.1743 0.1796 0.1796 0.5292 0.5292 0.5477 0.5477 1.5863 1.5863 1.5874 1.5874 2.0073 2.0073 2.0163 2.0163 2.4077 2.4077 2.4194 2.4194 2.5496 2.5496 2.5504 2.5504 3.3972 3.3972 3.3983 3.3983 3.5877 3.5877 3.5937 3.5937 4.2604 4.2604 4.2785 4.2785 9.4297 9.4297 9.4844 9.4844 10.0314 10.0314 10.0878 10.0878 11.0287 11.0287 11.0549 11.0549 13.4431 13.4471 k = 0.5000-0.0000 0.3011 ( 5956 PWs) bands (ev): -16.5564 -16.5564 -16.5561 -16.5561 -14.3616 -14.3616 -14.3605 -14.3605 -13.6986 -13.6986 -13.6982 -13.6982 -13.3627 -13.3627 -13.3619 -13.3619 -5.4605 -5.4605 -5.4578 -5.4578 -2.9884 -2.9884 -2.9874 -2.9874 -1.7633 -1.7633 -1.7441 -1.7441 -1.5061 -1.5061 -1.4959 -1.4959 0.1795 0.1795 0.1854 0.1854 0.5356 0.5356 0.5549 0.5549 1.5705 1.5705 1.5713 1.5713 2.0072 2.0072 2.0166 2.0166 2.4129 2.4129 2.4252 2.4252 2.5557 2.5557 2.5570 2.5570 3.3929 3.3929 3.3942 3.3942 3.5782 3.5782 3.5841 3.5841 4.2272 4.2272 4.2451 4.2451 9.4287 9.4287 9.4802 9.4802 10.0486 10.0486 10.1009 10.1009 11.0678 11.0678 11.0944 11.0944 13.4385 13.4423 k = 0.5000-0.0000 0.2796 ( 5962 PWs) bands (ev): -16.5600 -16.5600 -16.5597 -16.5597 -14.3528 -14.3528 -14.3517 -14.3517 -13.6993 -13.6993 -13.6988 -13.6988 -13.3649 -13.3649 -13.3641 -13.3641 -5.4749 -5.4749 -5.4723 -5.4723 -2.9775 -2.9775 -2.9765 -2.9765 -1.7636 -1.7636 -1.7461 -1.7461 -1.4915 -1.4915 -1.4829 -1.4829 0.1844 0.1844 0.1907 0.1907 0.5436 0.5436 0.5634 0.5634 1.5538 1.5538 1.5543 1.5543 2.0059 2.0059 2.0155 2.0155 2.4175 2.4175 2.4302 2.4302 2.5637 2.5637 2.5652 2.5652 3.3892 3.3892 3.3906 3.3906 3.5684 3.5684 3.5741 3.5741 4.1952 4.1952 4.2127 4.2127 9.4267 9.4267 9.4745 9.4745 10.0657 10.0657 10.1138 10.1138 11.1080 11.1080 11.1347 11.1347 13.4331 13.4369 k = 0.5000-0.0000 0.2581 ( 5962 PWs) bands (ev): -16.5635 -16.5635 -16.5632 -16.5632 -14.3442 -14.3442 -14.3431 -14.3431 -13.6999 -13.6999 -13.6995 -13.6995 -13.3672 -13.3672 -13.3664 -13.3664 -5.4888 -5.4888 -5.4863 -5.4863 -2.9669 -2.9669 -2.9660 -2.9660 -1.7640 -1.7640 -1.7481 -1.7481 -1.4771 -1.4771 -1.4700 -1.4700 0.1889 0.1889 0.1954 0.1954 0.5531 0.5531 0.5732 0.5732 1.5362 1.5362 1.5364 1.5364 2.0036 2.0036 2.0132 2.0132 2.4214 2.4214 2.4340 2.4340 2.5733 2.5733 2.5749 2.5749 3.3862 3.3862 3.3879 3.3879 3.5583 3.5583 3.5638 3.5638 4.1646 4.1646 4.1815 4.1815 9.4238 9.4238 9.4677 9.4677 10.0824 10.0824 10.1261 10.1261 11.1487 11.1487 11.1752 11.1752 13.4254 13.4302 k = 0.5000-0.0000 0.2366 ( 5960 PWs) bands (ev): -16.5668 -16.5668 -16.5665 -16.5665 -14.3359 -14.3359 -14.3348 -14.3348 -13.7006 -13.7006 -13.7002 -13.7002 -13.3694 -13.3694 -13.3686 -13.3686 -5.5020 -5.5020 -5.4996 -5.4996 -2.9569 -2.9569 -2.9561 -2.9561 -1.7644 -1.7644 -1.7502 -1.7502 -1.4630 -1.4630 -1.4574 -1.4574 0.1928 0.1928 0.1996 0.1996 0.5640 0.5640 0.5840 0.5840 1.5178 1.5178 1.5178 1.5178 2.0007 2.0007 2.0101 2.0101 2.4244 2.4244 2.4365 2.4365 2.5843 2.5843 2.5859 2.5859 3.3841 3.3841 3.3859 3.3859 3.5480 3.5480 3.5533 3.5533 4.1356 4.1356 4.1518 4.1518 9.4202 9.4202 9.4601 9.4601 10.0986 10.0986 10.1378 10.1378 11.1894 11.1894 11.2154 11.2154 13.4213 13.4231 k = 0.5000-0.0000 0.2151 ( 5958 PWs) bands (ev): -16.5699 -16.5699 -16.5697 -16.5697 -14.3279 -14.3279 -14.3269 -14.3269 -13.7012 -13.7012 -13.7009 -13.7009 -13.3715 -13.3715 -13.3708 -13.3708 -5.5145 -5.5145 -5.5123 -5.5123 -2.9476 -2.9476 -2.9468 -2.9468 -1.7648 -1.7648 -1.7521 -1.7521 -1.4496 -1.4496 -1.4452 -1.4452 0.1964 0.1964 0.2031 0.2031 0.5760 0.5760 0.5958 0.5958 1.4986 1.4986 1.4990 1.4990 1.9975 1.9975 2.0064 2.0064 2.4264 2.4264 2.4379 2.4379 2.5963 2.5963 2.5977 2.5977 3.3829 3.3829 3.3848 3.3848 3.5375 3.5375 3.5425 3.5425 4.1084 4.1084 4.1237 4.1237 9.4162 9.4162 9.4520 9.4520 10.1139 10.1139 10.1488 10.1488 11.2296 11.2296 11.2546 11.2546 13.4123 13.4169 k = 0.5000-0.0000 0.1936 ( 5962 PWs) bands (ev): -16.5729 -16.5729 -16.5726 -16.5726 -14.3204 -14.3204 -14.3195 -14.3195 -13.7019 -13.7019 -13.7015 -13.7015 -13.3735 -13.3735 -13.3728 -13.3728 -5.5262 -5.5262 -5.5241 -5.5241 -2.9389 -2.9389 -2.9382 -2.9382 -1.7652 -1.7652 -1.7540 -1.7540 -1.4368 -1.4368 -1.4335 -1.4335 0.1995 0.1995 0.2061 0.2061 0.5890 0.5890 0.6082 0.6082 1.4792 1.4792 1.4799 1.4799 1.9941 1.9941 2.0026 2.0026 2.4277 2.4277 2.4384 2.4384 2.6088 2.6088 2.6100 2.6100 3.3827 3.3827 3.3846 3.3846 3.5269 3.5269 3.5315 3.5315 4.0833 4.0833 4.0976 4.0976 9.4119 9.4119 9.4437 9.4437 10.1283 10.1283 10.1590 10.1590 11.2685 11.2685 11.2922 11.2922 13.4076 13.4105 k = 0.5000-0.0000 0.1720 ( 5964 PWs) bands (ev): -16.5756 -16.5756 -16.5754 -16.5754 -14.3134 -14.3134 -14.3126 -14.3126 -13.7025 -13.7025 -13.7021 -13.7021 -13.3753 -13.3753 -13.3747 -13.3747 -5.5368 -5.5368 -5.5350 -5.5350 -2.9310 -2.9310 -2.9303 -2.9303 -1.7655 -1.7655 -1.7558 -1.7558 -1.4249 -1.4249 -1.4225 -1.4225 0.2022 0.2022 0.2085 0.2085 0.6026 0.6026 0.6209 0.6209 1.4599 1.4599 1.4609 1.4609 1.9908 1.9908 1.9987 1.9987 2.4284 2.4284 2.4381 2.4381 2.6211 2.6211 2.6221 2.6221 3.3835 3.3835 3.3855 3.3855 3.5163 3.5163 3.5204 3.5204 4.0604 4.0604 4.0736 4.0736 9.4075 9.4075 9.4355 9.4355 10.1415 10.1415 10.1682 10.1682 11.3056 11.3056 11.3277 11.3277 13.4000 13.4033 k = 0.5000-0.0000 0.1505 ( 5956 PWs) bands (ev): -16.5780 -16.5780 -16.5778 -16.5778 -14.3070 -14.3070 -14.3063 -14.3063 -13.7030 -13.7030 -13.7027 -13.7027 -13.3770 -13.3770 -13.3765 -13.3765 -5.5465 -5.5465 -5.5448 -5.5448 -2.9238 -2.9238 -2.9233 -2.9233 -1.7659 -1.7659 -1.7575 -1.7575 -1.4141 -1.4141 -1.4123 -1.4123 0.2046 0.2046 0.2104 0.2104 0.6164 0.6164 0.6334 0.6334 1.4412 1.4412 1.4423 1.4423 1.9878 1.9878 1.9949 1.9949 2.4287 2.4287 2.4373 2.4373 2.6330 2.6330 2.6338 2.6338 3.3853 3.3853 3.3873 3.3873 3.5057 3.5057 3.5094 3.5094 4.0400 4.0400 4.0518 4.0518 9.4034 9.4034 9.4275 9.4275 10.1536 10.1536 10.1764 10.1764 11.3403 11.3403 11.3604 11.3604 13.3942 13.3982 k = 0.5000-0.0000 0.1290 ( 5952 PWs) bands (ev): -16.5802 -16.5802 -16.5800 -16.5800 -14.3013 -14.3013 -14.3007 -14.3007 -13.7035 -13.7035 -13.7032 -13.7032 -13.3785 -13.3785 -13.3780 -13.3780 -5.5549 -5.5549 -5.5535 -5.5535 -2.9176 -2.9176 -2.9171 -2.9171 -1.7662 -1.7662 -1.7592 -1.7592 -1.4043 -1.4043 -1.4031 -1.4031 0.2066 0.2066 0.2119 0.2119 0.6301 0.6301 0.6455 0.6455 1.4234 1.4234 1.4247 1.4247 1.9851 1.9851 1.9914 1.9914 2.4287 2.4287 2.4362 2.4362 2.6440 2.6440 2.6446 2.6446 3.3882 3.3882 3.3901 3.3901 3.4952 3.4952 3.4984 3.4984 4.0220 4.0220 4.0324 4.0324 9.3996 9.3996 9.4201 9.4201 10.1643 10.1643 10.1835 10.1835 11.3720 11.3720 11.3899 11.3899 13.3900 13.3926 k = 0.5000-0.0000 0.1075 ( 5950 PWs) bands (ev): -16.5820 -16.5820 -16.5819 -16.5819 -14.2964 -14.2964 -14.2958 -14.2958 -13.7039 -13.7039 -13.7037 -13.7037 -13.3799 -13.3799 -13.3794 -13.3794 -5.5622 -5.5622 -5.5610 -5.5610 -2.9122 -2.9122 -2.9118 -2.9118 -1.7664 -1.7664 -1.7606 -1.7606 -1.3958 -1.3958 -1.3951 -1.3951 0.2083 0.2083 0.2129 0.2129 0.6431 0.6431 0.6566 0.6566 1.4071 1.4071 1.4084 1.4084 1.9828 1.9828 1.9882 1.9882 2.4286 2.4286 2.4350 2.4350 2.6537 2.6537 2.6542 2.6542 3.3921 3.3921 3.3939 3.3939 3.4850 3.4850 3.4876 3.4876 4.0068 4.0068 4.0156 4.0156 9.3964 9.3964 9.4132 9.4132 10.1737 10.1737 10.1894 10.1894 11.4001 11.4001 11.4155 11.4155 13.3851 13.3875 k = 0.5000-0.0000 0.0860 ( 5946 PWs) bands (ev): -16.5836 -16.5836 -16.5835 -16.5835 -14.2923 -14.2923 -14.2918 -14.2918 -13.7043 -13.7043 -13.7041 -13.7041 -13.3809 -13.3809 -13.3806 -13.3806 -5.5682 -5.5682 -5.5672 -5.5672 -2.9077 -2.9077 -2.9074 -2.9074 -1.7665 -1.7665 -1.7620 -1.7620 -1.3888 -1.3888 -1.3883 -1.3883 0.2098 0.2098 0.2136 0.2136 0.6550 0.6550 0.6662 0.6662 1.3929 1.3929 1.3941 1.3941 1.9810 1.9810 1.9854 1.9854 2.4285 2.4285 2.4336 2.4336 2.6620 2.6620 2.6624 2.6624 3.3969 3.3969 3.3984 3.3984 3.4751 3.4751 3.4772 3.4772 3.9943 3.9943 4.0015 4.0015 9.3938 9.3938 9.4071 9.4071 10.1817 10.1817 10.1940 10.1940 11.4242 11.4242 11.4368 11.4368 13.3804 13.3823 k = 0.5000-0.0000 0.0645 ( 5950 PWs) bands (ev): -16.5848 -16.5848 -16.5847 -16.5847 -14.2890 -14.2890 -14.2886 -14.2886 -13.7045 -13.7045 -13.7044 -13.7044 -13.3818 -13.3818 -13.3815 -13.3815 -5.5729 -5.5729 -5.5722 -5.5722 -2.9043 -2.9043 -2.9040 -2.9040 -1.7665 -1.7665 -1.7631 -1.7631 -1.3831 -1.3831 -1.3829 -1.3829 0.2111 0.2111 0.2140 0.2140 0.6652 0.6652 0.6740 0.6740 1.3812 1.3812 1.3822 1.3822 1.9797 1.9797 1.9830 1.9830 2.4285 2.4285 2.4324 2.4324 2.6686 2.6686 2.6689 2.6689 3.4023 3.4023 3.4035 3.4035 3.4658 3.4658 3.4674 3.4674 3.9848 3.9848 3.9902 3.9902 9.3920 9.3920 9.4020 9.4020 10.1882 10.1882 10.1974 10.1974 11.4438 11.4438 11.4534 11.4534 13.3772 13.3795 k = 0.5000-0.0000 0.0430 ( 5954 PWs) bands (ev): -16.5857 -16.5857 -16.5856 -16.5856 -14.2866 -14.2866 -14.2864 -14.2864 -13.7047 -13.7047 -13.7046 -13.7046 -13.3824 -13.3824 -13.3822 -13.3822 -5.5763 -5.5763 -5.5758 -5.5758 -2.9017 -2.9017 -2.9016 -2.9016 -1.7664 -1.7664 -1.7641 -1.7641 -1.3791 -1.3791 -1.3789 -1.3789 0.2121 0.2121 0.2141 0.2141 0.6734 0.6734 0.6794 0.6794 1.3725 1.3725 1.3733 1.3733 1.9790 1.9790 1.9812 1.9812 2.4286 2.4286 2.4312 2.4312 2.6735 2.6735 2.6736 2.6736 3.4079 3.4079 3.4087 3.4087 3.4576 3.4576 3.4586 3.4586 3.9781 3.9781 3.9818 3.9818 9.3911 9.3911 9.3977 9.3977 10.1933 10.1933 10.1994 10.1994 11.4586 11.4586 11.4651 11.4651 13.3758 13.3765 k = 0.5000-0.0000 0.0215 ( 5958 PWs) bands (ev): -16.5862 -16.5862 -16.5861 -16.5861 -14.2851 -14.2851 -14.2850 -14.2850 -13.7048 -13.7048 -13.7048 -13.7048 -13.3827 -13.3827 -13.3827 -13.3827 -5.5782 -5.5782 -5.5780 -5.5780 -2.9002 -2.9002 -2.9001 -2.9001 -1.7661 -1.7661 -1.7649 -1.7649 -1.3766 -1.3766 -1.3766 -1.3766 0.2130 0.2130 0.2140 0.2140 0.6791 0.6791 0.6821 0.6821 1.3672 1.3672 1.3676 1.3676 1.9787 1.9787 1.9798 1.9798 2.4289 2.4289 2.4302 2.4302 2.6764 2.6764 2.6765 2.6765 3.4126 3.4126 3.4131 3.4131 3.4515 3.4515 3.4520 3.4520 3.9745 3.9745 3.9764 3.9764 9.3912 9.3912 9.3945 9.3945 10.1970 10.1970 10.2000 10.2000 11.4682 11.4682 11.4715 11.4715 13.3745 13.3749 k = 0.5000-0.0000-0.0000 ( 5952 PWs) bands (ev): -16.5863 -16.5863 -16.5863 -16.5863 -14.2846 -14.2846 -14.2846 -14.2846 -13.7049 -13.7049 -13.7049 -13.7049 -13.3828 -13.3828 -13.3828 -13.3828 -5.5788 -5.5788 -5.5788 -5.5788 -2.8996 -2.8996 -2.8996 -2.8996 -1.7656 -1.7656 -1.7656 -1.7656 -1.3758 -1.3758 -1.3758 -1.3758 0.2136 0.2136 0.2136 0.2136 0.6821 0.6821 0.6821 0.6821 1.3656 1.3656 1.3656 1.3656 1.9790 1.9790 1.9790 1.9790 2.4294 2.4294 2.4295 2.4295 2.6774 2.6774 2.6774 2.6774 3.4148 3.4148 3.4148 3.4148 3.4492 3.4492 3.4492 3.4492 3.9739 3.9739 3.9739 3.9739 9.3923 9.3923 9.3923 9.3923 10.1992 10.1992 10.1992 10.1992 11.4725 11.4725 11.4726 11.4726 13.3741 13.3741 k = 0.0000 0.0000 0.6667 ( 5906 PWs) bands (ev): -16.6827 -16.6827 -16.3234 -16.3234 -14.6701 -14.6701 -14.1566 -14.1566 -13.7218 -13.7218 -13.6945 -13.6945 -13.4295 -13.4295 -13.3251 -13.3251 -6.1396 -6.1396 -4.7408 -4.7408 -3.3393 -3.3393 -1.9992 -1.9992 -1.8616 -1.8616 -1.8544 -1.8544 -1.5712 -1.5712 -0.8498 -0.8498 -0.3799 -0.3799 -0.0137 -0.0137 0.3846 0.3846 0.9070 0.9070 1.0841 1.0841 1.5341 1.5341 1.9503 1.9503 1.9869 1.9869 2.3208 2.3208 2.3330 2.3330 2.5908 2.5908 2.6147 2.6147 2.7595 2.7595 3.5335 3.5335 3.8162 3.8162 4.0325 4.0325 4.1109 4.1109 4.3640 4.3640 8.9480 8.9480 9.7830 9.7830 10.1164 10.1164 10.3374 10.3374 10.4249 10.4249 11.7371 11.7371 13.5754 13.5754 k = 0.0208-0.0000 0.6667 ( 5910 PWs) bands (ev): -16.6823 -16.6823 -16.3238 -16.3238 -14.6697 -14.6697 -14.1575 -14.1575 -13.7217 -13.7217 -13.6944 -13.6944 -13.4293 -13.4293 -13.3250 -13.3250 -6.1378 -6.1378 -4.7409 -4.7409 -3.3402 -3.3402 -2.0037 -2.0037 -1.8627 -1.8627 -1.8518 -1.8518 -1.5712 -1.5712 -0.8575 -0.8575 -0.3761 -0.3761 -0.0096 -0.0096 0.3843 0.3843 0.9056 0.9056 1.0862 1.0862 1.5349 1.5349 1.9506 1.9506 1.9863 1.9863 2.3214 2.3214 2.3334 2.3334 2.5884 2.5884 2.6145 2.6145 2.7645 2.7645 3.5330 3.5330 3.8148 3.8148 4.0312 4.0312 4.1122 4.1122 4.3664 4.3664 8.9485 8.9485 9.7819 9.7819 10.1140 10.1140 10.3387 10.3387 10.4273 10.4273 11.7293 11.7293 13.5760 13.5761 k = 0.0417-0.0000 0.6667 ( 5908 PWs) bands (ev): -16.6813 -16.6813 -16.3251 -16.3251 -14.6686 -14.6686 -14.1600 -14.1600 -13.7212 -13.7212 -13.6943 -13.6943 -13.4285 -13.4285 -13.3248 -13.3248 -6.1323 -6.1323 -4.7412 -4.7412 -3.3430 -3.3430 -2.0170 -2.0170 -1.8639 -1.8639 -1.8466 -1.8466 -1.5715 -1.5715 -0.8791 -0.8791 -0.3655 -0.3655 0.0022 0.0022 0.3836 0.3836 0.9014 0.9014 1.0926 1.0926 1.5371 1.5371 1.9513 1.9513 1.9844 1.9844 2.3230 2.3230 2.3347 2.3347 2.5822 2.5822 2.6139 2.6139 2.7788 2.7788 3.5316 3.5316 3.8106 3.8106 4.0276 4.0276 4.1164 4.1164 4.3736 4.3736 8.9501 8.9501 9.7785 9.7785 10.1071 10.1071 10.3421 10.3421 10.4345 10.4345 11.7064 11.7064 13.5780 13.5781 k = 0.0625-0.0000 0.6667 ( 5906 PWs) bands (ev): -16.6796 -16.6796 -16.3273 -16.3273 -14.6667 -14.6667 -14.1642 -14.1642 -13.7204 -13.7204 -13.6941 -13.6941 -13.4272 -13.4272 -13.3243 -13.3243 -6.1233 -6.1233 -4.7419 -4.7419 -3.3474 -3.3474 -2.0379 -2.0379 -1.8639 -1.8639 -1.8406 -1.8406 -1.5720 -1.5720 -0.9120 -0.9120 -0.3503 -0.3503 0.0212 0.0212 0.3825 0.3825 0.8945 0.8945 1.1031 1.1031 1.5407 1.5407 1.9523 1.9523 1.9814 1.9814 2.3252 2.3252 2.3372 2.3372 2.5737 2.5737 2.6130 2.6130 2.8005 2.8005 3.5294 3.5294 3.8038 3.8038 4.0216 4.0216 4.1237 4.1237 4.3849 4.3849 8.9528 8.9528 9.7729 9.7729 10.0969 10.0969 10.3467 10.3467 10.4462 10.4462 11.6692 11.6692 13.5803 13.5806 k = 0.0833-0.0000 0.6667 ( 5918 PWs) bands (ev): -16.6772 -16.6772 -16.3302 -16.3302 -14.6640 -14.6640 -14.1701 -14.1701 -13.7194 -13.7194 -13.6939 -13.6939 -13.4254 -13.4254 -13.3238 -13.3238 -6.1107 -6.1107 -4.7430 -4.7430 -3.3533 -3.3533 -2.0654 -2.0654 -1.8629 -1.8629 -1.8346 -1.8346 -1.5728 -1.5728 -0.9527 -0.9527 -0.3327 -0.3327 0.0460 0.0460 0.3807 0.3807 0.8852 0.8852 1.1179 1.1179 1.5457 1.5457 1.9534 1.9534 1.9774 1.9774 2.3275 2.3275 2.3410 2.3410 2.5643 2.5643 2.6116 2.6116 2.8282 2.8282 3.5265 3.5265 3.7944 3.7944 4.0137 4.0137 4.1343 4.1343 4.3997 4.3997 8.9565 8.9565 9.7653 9.7653 10.0844 10.0844 10.3517 10.3517 10.4619 10.4619 11.6190 11.6190 13.5809 13.5823 k = 0.1042-0.0000 0.6667 ( 5928 PWs) bands (ev): -16.6741 -16.6741 -16.3340 -16.3340 -14.6607 -14.6607 -14.1774 -14.1774 -13.7181 -13.7181 -13.6936 -13.6936 -13.4231 -13.4231 -13.3231 -13.3231 -6.0946 -6.0946 -4.7448 -4.7448 -3.3605 -3.3605 -2.0988 -2.0988 -1.8609 -1.8609 -1.8289 -1.8289 -1.5741 -1.5741 -0.9986 -0.9986 -0.3143 -0.3143 0.0754 0.0754 0.3782 0.3782 0.8738 0.8738 1.1368 1.1368 1.5522 1.5522 1.9541 1.9541 1.9725 1.9725 2.3297 2.3297 2.3464 2.3464 2.5552 2.5552 2.6098 2.6098 2.8606 2.8606 3.5229 3.5229 3.7826 3.7826 4.0043 4.0043 4.1481 4.1481 4.4173 4.4173 8.9613 8.9613 9.7557 9.7557 10.0706 10.0706 10.3566 10.3566 10.4807 10.4807 11.5575 11.5575 13.5717 13.5742 k = 0.1250-0.0000 0.6667 ( 5932 PWs) bands (ev): -16.6704 -16.6704 -16.3386 -16.3386 -14.6565 -14.6565 -14.1862 -14.1862 -13.7166 -13.7166 -13.6933 -13.6933 -13.4204 -13.4204 -13.3223 -13.3223 -6.0750 -6.0750 -4.7476 -4.7476 -3.3686 -3.3686 -2.1371 -2.1371 -1.8581 -1.8581 -1.8236 -1.8236 -1.5760 -1.5760 -1.0474 -1.0474 -0.2955 -0.2955 0.1076 0.1076 0.3749 0.3749 0.8606 0.8606 1.1597 1.1597 1.5601 1.5601 1.9543 1.9543 1.9670 1.9670 2.3319 2.3319 2.3528 2.3528 2.5467 2.5467 2.6077 2.6077 2.8968 2.8968 3.5188 3.5188 3.7685 3.7685 3.9939 3.9939 4.1651 4.1651 4.4368 4.4368 8.9671 8.9671 9.7445 9.7445 10.0563 10.0563 10.3612 10.3612 10.5018 10.5018 11.4868 11.4868 13.5487 13.5568 k = 0.1458-0.0000 0.6667 ( 5928 PWs) bands (ev): -16.6660 -16.6660 -16.3440 -16.3440 -14.6516 -14.6516 -14.1963 -14.1963 -13.7150 -13.7150 -13.6929 -13.6929 -13.4172 -13.4172 -13.3215 -13.3215 -6.0520 -6.0520 -4.7517 -4.7517 -3.3772 -3.3772 -2.1799 -2.1799 -1.8545 -1.8545 -1.8185 -1.8185 -1.5785 -1.5785 -1.0974 -1.0974 -0.2768 -0.2768 0.1413 0.1413 0.3707 0.3707 0.8459 0.8459 1.1864 1.1864 1.5693 1.5693 1.9535 1.9535 1.9613 1.9613 2.3341 2.3341 2.3601 2.3601 2.5393 2.5393 2.6052 2.6052 2.9362 2.9362 3.5143 3.5143 3.7526 3.7526 3.9826 3.9826 4.1851 4.1851 4.4578 4.4578 8.9739 8.9739 9.7319 9.7319 10.0419 10.0419 10.3654 10.3654 10.5243 10.5243 11.4087 11.4087 13.5248 13.5250 k = 0.1667-0.0000 0.6667 ( 5934 PWs) bands (ev): -16.6609 -16.6609 -16.3501 -16.3501 -14.6460 -14.6460 -14.2075 -14.2075 -13.7133 -13.7133 -13.6925 -13.6925 -13.4136 -13.4136 -13.3206 -13.3206 -6.0256 -6.0256 -4.7573 -4.7573 -3.3858 -3.3858 -2.2266 -2.2266 -1.8503 -1.8503 -1.8137 -1.8137 -1.5818 -1.5818 -1.1475 -1.1475 -0.2579 -0.2579 0.1751 0.1751 0.3654 0.3654 0.8299 0.8299 1.2165 1.2165 1.5798 1.5798 1.9509 1.9509 1.9560 1.9560 2.3364 2.3364 2.3677 2.3677 2.5330 2.5330 2.6023 2.6023 2.9780 2.9780 3.5097 3.5097 3.7351 3.7351 3.9708 3.9708 4.2078 4.2078 4.4796 4.4796 8.9819 8.9819 9.7183 9.7183 10.0277 10.0277 10.3688 10.3688 10.5472 10.5472 11.3254 11.3254 13.5048 13.5048 k = 0.1875-0.0000 0.6667 ( 5940 PWs) bands (ev): -16.6553 -16.6553 -16.3569 -16.3569 -14.6396 -14.6396 -14.2199 -14.2199 -13.7115 -13.7115 -13.6921 -13.6921 -13.4097 -13.4097 -13.3198 -13.3198 -5.9961 -5.9961 -4.7651 -4.7651 -3.3938 -3.3938 -2.2767 -2.2767 -1.8454 -1.8454 -1.8089 -1.8089 -1.5858 -1.5858 -1.1967 -1.1967 -0.2387 -0.2387 0.2081 0.2081 0.3590 0.3590 0.8131 0.8131 1.2497 1.2497 1.5917 1.5917 1.9455 1.9455 1.9521 1.9521 2.3389 2.3389 2.3754 2.3754 2.5279 2.5279 2.5992 2.5992 3.0218 3.0218 3.5050 3.5050 3.7163 3.7163 3.9585 3.9585 4.2330 4.2330 4.5019 4.5019 8.9910 8.9910 9.7039 9.7039 10.0137 10.0137 10.3710 10.3710 10.5701 10.5701 11.2391 11.2391 13.4858 13.4858 k = 0.2083-0.0000 0.6667 ( 5942 PWs) bands (ev): -16.6491 -16.6491 -16.3644 -16.3644 -14.6324 -14.6324 -14.2332 -14.2332 -13.7097 -13.7097 -13.6917 -13.6917 -13.4054 -13.4054 -13.3191 -13.3191 -5.9634 -5.9634 -4.7753 -4.7753 -3.4006 -3.4006 -2.3298 -2.3298 -1.8400 -1.8400 -1.8042 -1.8042 -1.5905 -1.5905 -1.2445 -1.2445 -0.2191 -0.2191 0.2397 0.2397 0.3513 0.3513 0.7956 0.7956 1.2854 1.2854 1.6049 1.6049 1.9385 1.9385 1.9485 1.9485 2.3416 2.3416 2.3829 2.3829 2.5239 2.5239 2.5958 2.5958 3.0669 3.0669 3.5005 3.5005 3.6966 3.6966 3.9458 3.9458 4.2604 4.2604 4.5242 4.5242 9.0013 9.0013 9.6890 9.6890 10.0001 10.0001 10.3712 10.3712 10.5922 10.5922 11.1523 11.1523 13.4681 13.4681 k = 0.2292-0.0000 0.6667 ( 5936 PWs) bands (ev): -16.6422 -16.6422 -16.3726 -16.3726 -14.6246 -14.6246 -14.2474 -14.2474 -13.7078 -13.7078 -13.6913 -13.6913 -13.4009 -13.4009 -13.3186 -13.3186 -5.9277 -5.9277 -4.7884 -4.7884 -3.4057 -3.4057 -2.3852 -2.3852 -1.8341 -1.8341 -1.7994 -1.7994 -1.5960 -1.5960 -1.2904 -1.2904 -0.1989 -0.1989 0.2695 0.2695 0.3423 0.3423 0.7775 0.7775 1.3230 1.3230 1.6194 1.6194 1.9306 1.9306 1.9446 1.9446 2.3446 2.3446 2.3900 2.3900 2.5210 2.5210 2.5921 2.5921 3.1127 3.1127 3.4963 3.4963 3.6763 3.6763 3.9324 3.9324 4.2898 4.2898 4.5462 4.5462 9.0128 9.0128 9.6740 9.6740 9.9867 9.9867 10.3683 10.3683 10.6132 10.6132 11.0677 11.0677 13.4520 13.4520 k = 0.2500-0.0000 0.6667 ( 5932 PWs) bands (ev): -16.6348 -16.6348 -16.3813 -16.3813 -14.6159 -14.6159 -14.2623 -14.2623 -13.7061 -13.7061 -13.6909 -13.6909 -13.3961 -13.3961 -13.3182 -13.3182 -5.8892 -5.8892 -4.8047 -4.8047 -3.4083 -3.4083 -2.4426 -2.4426 -1.8277 -1.8277 -1.7944 -1.7944 -1.6021 -1.6021 -1.3340 -1.3340 -0.1781 -0.1781 0.2972 0.2972 0.3322 0.3322 0.7591 0.7591 1.3616 1.3616 1.6351 1.6351 1.9218 1.9218 1.9403 1.9403 2.3477 2.3477 2.3964 2.3964 2.5191 2.5191 2.5883 2.5883 3.1586 3.1586 3.4928 3.4928 3.6557 3.6557 3.9184 3.9184 4.3208 4.3208 4.5675 4.5675 9.0258 9.0258 9.6589 9.6589 9.9737 9.9737 10.3606 10.3606 10.6324 10.6324 10.9883 10.9883 13.4377 13.4377 k = 0.2708-0.0000 0.6667 ( 5944 PWs) bands (ev): -16.6269 -16.6269 -16.3905 -16.3905 -14.6066 -14.6066 -14.2778 -14.2778 -13.7043 -13.7043 -13.6906 -13.6906 -13.3911 -13.3911 -13.3180 -13.3180 -5.8480 -5.8480 -4.8247 -4.8247 -3.4080 -3.4080 -2.5015 -2.5015 -1.8208 -1.8208 -1.7891 -1.7891 -1.6089 -1.6089 -1.3752 -1.3752 -0.1567 -0.1567 0.3163 0.3163 0.3273 0.3273 0.7406 0.7406 1.4007 1.4007 1.6520 1.6520 1.9120 1.9120 1.9359 1.9359 2.3511 2.3511 2.4020 2.4020 2.5180 2.5180 2.5843 2.5843 3.2038 3.2038 3.4902 3.4902 3.6352 3.6352 3.9038 3.9038 4.3531 4.3531 4.5878 4.5878 9.0404 9.0404 9.6437 9.6437 9.9610 9.9610 10.3461 10.3461 10.6494 10.6494 10.9177 10.9177 13.4253 13.4253 k = 0.2917-0.0000 0.6667 ( 5948 PWs) bands (ev): -16.6184 -16.6184 -16.4003 -16.4003 -14.5965 -14.5965 -14.2939 -14.2939 -13.7027 -13.7027 -13.6903 -13.6903 -13.3859 -13.3859 -13.3181 -13.3181 -5.8043 -5.8043 -4.8486 -4.8486 -3.4041 -3.4041 -2.5615 -2.5615 -1.8135 -1.8135 -1.7834 -1.7834 -1.6163 -1.6163 -1.4137 -1.4137 -0.1346 -0.1346 0.3056 0.3056 0.3490 0.3490 0.7219 0.7219 1.4394 1.4394 1.6700 1.6700 1.9011 1.9011 1.9315 1.9315 2.3547 2.3547 2.4067 2.4067 2.5178 2.5178 2.5801 2.5801 3.2476 3.2476 3.4889 3.4889 3.6149 3.6149 3.8883 3.8883 4.3861 4.3861 4.6068 4.6068 9.0568 9.0568 9.6285 9.6285 9.9488 9.9488 10.3225 10.3225 10.6638 10.6638 10.8595 10.8595 13.4151 13.4151 k = 0.3125-0.0000 0.6667 ( 5954 PWs) bands (ev): -16.6095 -16.6095 -16.4104 -16.4104 -14.5858 -14.5858 -14.3103 -14.3103 -13.7011 -13.7011 -13.6901 -13.6901 -13.3807 -13.3807 -13.3184 -13.3184 -5.7582 -5.7582 -4.8765 -4.8765 -3.3962 -3.3962 -2.6220 -2.6220 -1.8059 -1.8059 -1.7772 -1.7772 -1.6241 -1.6241 -1.4497 -1.4497 -0.1118 -0.1118 0.2911 0.2911 0.3716 0.3716 0.7031 0.7031 1.4771 1.4771 1.6892 1.6892 1.8890 1.8890 1.9271 1.9271 2.3586 2.3586 2.4104 2.4104 2.5182 2.5182 2.5759 2.5759 3.2892 3.2892 3.4896 3.4896 3.5950 3.5950 3.8719 3.8719 4.4196 4.4196 4.6240 4.6240 9.0753 9.0753 9.6128 9.6128 9.9371 9.9371 10.2886 10.2886 10.6750 10.6750 10.8162 10.8162 13.4073 13.4073 k = 0.3333-0.0000 0.6667 ( 5956 PWs) bands (ev): -16.6001 -16.6001 -16.4210 -16.4210 -14.5743 -14.5743 -14.3270 -14.3270 -13.6996 -13.6996 -13.6899 -13.6899 -13.3755 -13.3755 -13.3191 -13.3191 -5.7100 -5.7100 -4.9085 -4.9085 -3.3841 -3.3841 -2.6828 -2.6828 -1.7979 -1.7979 -1.7706 -1.7706 -1.6323 -1.6323 -1.4831 -1.4831 -0.0885 -0.0885 0.2751 0.2751 0.3929 0.3929 0.6844 0.6844 1.5133 1.5133 1.7092 1.7092 1.8757 1.8757 1.9226 1.9226 2.3627 2.3627 2.4131 2.4131 2.5193 2.5193 2.5717 2.5717 3.3274 3.3274 3.4932 3.4932 3.5759 3.5759 3.8546 3.8546 4.4529 4.4529 4.6393 4.6393 9.0960 9.0960 9.5962 9.5962 9.9263 9.9263 10.2452 10.2452 10.6832 10.6832 10.7881 10.7881 13.4018 13.4018 k = 0.3542-0.0000 0.6667 ( 5966 PWs) bands (ev): -16.5903 -16.5903 -16.4319 -16.4319 -14.5622 -14.5622 -14.3440 -14.3440 -13.6982 -13.6982 -13.6898 -13.6898 -13.3702 -13.3702 -13.3201 -13.3201 -5.6599 -5.6599 -4.9444 -4.9444 -3.3674 -3.3674 -2.7434 -2.7434 -1.7897 -1.7897 -1.7634 -1.7634 -1.6407 -1.6407 -1.5138 -1.5138 -0.0647 -0.0647 0.2577 0.2577 0.4132 0.4132 0.6658 0.6658 1.5476 1.5476 1.7299 1.7299 1.8613 1.8613 1.9178 1.9178 2.3670 2.3670 2.4147 2.4147 2.5208 2.5208 2.5674 2.5674 3.3607 3.3607 3.5010 3.5010 3.5577 3.5577 3.8362 3.8362 4.4855 4.4855 4.6522 4.6522 9.1193 9.1193 9.5780 9.5780 9.9166 9.9166 10.1953 10.1953 10.6892 10.6892 10.7724 10.7724 13.3988 13.3988 k = 0.3750-0.0000 0.6667 ( 5966 PWs) bands (ev): -16.5801 -16.5801 -16.4431 -16.4431 -14.5495 -14.5495 -14.3610 -14.3610 -13.6969 -13.6969 -13.6898 -13.6898 -13.3650 -13.3650 -13.3215 -13.3215 -5.6082 -5.6082 -4.9841 -4.9841 -3.3462 -3.3462 -2.8033 -2.8033 -1.7813 -1.7813 -1.7557 -1.7557 -1.6492 -1.6492 -1.5420 -1.5420 -0.0405 -0.0405 0.2391 0.2391 0.4325 0.4325 0.6474 0.6474 1.5798 1.5798 1.7509 1.7509 1.8460 1.8460 1.9127 1.9127 2.3716 2.3716 2.4152 2.4152 2.5228 2.5228 2.5631 2.5631 3.3876 3.3876 3.5141 3.5141 3.5409 3.5409 3.8167 3.8167 4.5169 4.5169 4.6624 4.6624 9.1454 9.1454 9.5573 9.5573 9.9084 9.9084 10.1428 10.1428 10.6946 10.6946 10.7647 10.7647 13.3982 13.3982 k = 0.3958-0.0000 0.6667 ( 5966 PWs) bands (ev): -16.5696 -16.5696 -16.4545 -16.4545 -14.5362 -14.5362 -14.3781 -14.3781 -13.6957 -13.6957 -13.6899 -13.6899 -13.3599 -13.3599 -13.3232 -13.3232 -5.5551 -5.5551 -5.0273 -5.0273 -3.3205 -3.3205 -2.8623 -2.8623 -1.7727 -1.7727 -1.7478 -1.7478 -1.6575 -1.6575 -1.5678 -1.5678 -0.0160 -0.0160 0.2193 0.2193 0.4512 0.4512 0.6290 0.6290 1.6098 1.6098 1.7718 1.7718 1.8296 1.8296 1.9069 1.9069 2.3763 2.3763 2.4148 2.4148 2.5251 2.5251 2.5590 2.5590 3.4075 3.4075 3.5218 3.5218 3.5370 3.5370 3.7960 3.7960 4.5466 4.5466 4.6697 4.6697 9.1744 9.1744 9.5332 9.5332 9.9023 9.9023 10.0917 10.0917 10.7005 10.7005 10.7608 10.7608 13.4001 13.4001 k = 0.4167-0.0000 0.6667 ( 5974 PWs) bands (ev): -16.5587 -16.5587 -16.4661 -16.4661 -14.5222 -14.5222 -14.3952 -14.3952 -13.6947 -13.6947 -13.6900 -13.6900 -13.3550 -13.3550 -13.3254 -13.3254 -5.5009 -5.5009 -5.0735 -5.0735 -3.2903 -3.2903 -2.9199 -2.9199 -1.7641 -1.7641 -1.7398 -1.7398 -1.6649 -1.6649 -1.5912 -1.5912 0.0087 0.0087 0.1985 0.1985 0.4694 0.4694 0.6109 0.6109 1.6379 1.6379 1.7919 1.7919 1.8125 1.8125 1.9003 1.9003 2.3811 2.3811 2.4134 2.4134 2.5276 2.5276 2.5549 2.5549 3.4218 3.4218 3.5081 3.5081 3.5606 3.5606 3.7741 3.7741 4.5741 4.5741 4.6737 4.6737 9.2063 9.2063 9.5052 9.5052 9.8989 9.8989 10.0449 10.0449 10.7074 10.7074 10.7580 10.7580 13.4043 13.4043 k = 0.4375-0.0000 0.6667 ( 5976 PWs) bands (ev): -16.5476 -16.5476 -16.4778 -16.4778 -14.5078 -14.5078 -14.4121 -14.4121 -13.6937 -13.6937 -13.6902 -13.6902 -13.3503 -13.3503 -13.3279 -13.3279 -5.4460 -5.4460 -5.1224 -5.1224 -3.2559 -3.2559 -2.9759 -2.9759 -1.7554 -1.7554 -1.7329 -1.7329 -1.6706 -1.6706 -1.6123 -1.6123 0.0335 0.0335 0.1767 0.1767 0.4872 0.4872 0.5929 0.5929 1.6640 1.6640 1.7936 1.7936 1.8118 1.8118 1.8925 1.8925 2.3861 2.3861 2.4111 2.4111 2.5304 2.5304 2.5510 2.5510 3.4326 3.4326 3.4945 3.4945 3.5882 3.5882 3.7509 3.7509 4.5988 4.5988 4.6742 4.6742 9.2411 9.2411 9.4729 9.4729 9.8988 9.8988 10.0044 10.0044 10.7152 10.7152 10.7548 10.7548 13.4108 13.4109 k = 0.4583-0.0000 0.6667 ( 5978 PWs) bands (ev): -16.5362 -16.5362 -16.4895 -16.4895 -14.4928 -14.4928 -14.4289 -14.4289 -13.6929 -13.6929 -13.6906 -13.6906 -13.3458 -13.3458 -13.3307 -13.3307 -5.3907 -5.3907 -5.1735 -5.1735 -3.2174 -3.2174 -3.0297 -3.0297 -1.7470 -1.7470 -1.7285 -1.7285 -1.6726 -1.6726 -1.6310 -1.6310 0.0583 0.0583 0.1542 0.1542 0.5048 0.5048 0.5750 0.5750 1.6886 1.6886 1.7748 1.7748 1.8294 1.8294 1.8833 1.8833 2.3910 2.3910 2.4081 2.4081 2.5334 2.5334 2.5471 2.5471 3.4419 3.4419 3.4820 3.4820 3.6170 3.6170 3.7264 3.7264 4.6205 4.6205 4.6710 4.6710 9.2784 9.2784 9.4369 9.4369 9.9027 9.9027 9.9710 9.9710 10.7233 10.7233 10.7506 10.7506 13.4195 13.4195 k = 0.4792-0.0000 0.6667 ( 5980 PWs) bands (ev): -16.5247 -16.5247 -16.5013 -16.5013 -14.4774 -14.4774 -14.4454 -14.4454 -13.6922 -13.6922 -13.6910 -13.6910 -13.3415 -13.3415 -13.3340 -13.3340 -5.3354 -5.3354 -5.2263 -5.2263 -3.1753 -3.1753 -3.0811 -3.0811 -1.7391 -1.7391 -1.7284 -1.7284 -1.6692 -1.6692 -1.6471 -1.6471 0.0828 0.0828 0.1309 0.1309 0.5223 0.5223 0.5574 0.5574 1.7119 1.7119 1.7548 1.7548 1.8456 1.8456 1.8725 1.8725 2.3958 2.3958 2.4045 2.4045 2.5366 2.5366 2.5435 2.5435 3.4509 3.4509 3.4707 3.4707 3.6457 3.6457 3.7006 3.7006 4.6387 4.6387 4.6641 4.6641 9.3177 9.3177 9.3982 9.3982 9.9112 9.9112 9.9446 9.9446 10.7313 10.7313 10.7453 10.7453 13.4314 13.4351 k = 0.5000-0.0000 0.6667 ( 5972 PWs) bands (ev): -16.5131 -16.5131 -16.5131 -16.5131 -14.4616 -14.4616 -14.4616 -14.4616 -13.6915 -13.6915 -13.6915 -13.6915 -13.3376 -13.3376 -13.3376 -13.3376 -5.2804 -5.2804 -5.2804 -5.2804 -3.1297 -3.1297 -3.1297 -3.1297 -1.7324 -1.7324 -1.7324 -1.7324 -1.6602 -1.6602 -1.6602 -1.6602 0.1071 0.1071 0.1071 0.1071 0.5398 0.5398 0.5398 0.5398 1.7339 1.7339 1.7339 1.7339 1.8600 1.8600 1.8600 1.8600 2.4003 2.4003 2.4003 2.4003 2.5400 2.5400 2.5400 2.5400 3.4604 3.4604 3.4604 3.4604 3.6737 3.6737 3.6737 3.6737 4.6533 4.6533 4.6533 4.6533 9.3580 9.3580 9.3580 9.3580 9.9249 9.9249 9.9249 9.9249 10.7388 10.7388 10.7388 10.7388 13.4421 13.4421 Writing output data file SbPO4.save init_run : 0.49s CPU 0.65s WALL ( 1 calls) electrons : 637.17s CPU 645.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 637.17s CPU 645.35s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.13s WALL ( 273 calls) cegterg : 611.09s CPU 617.61s WALL ( 1114 calls) Called by sum_band: Called by *egterg: h_psi : 278.40s CPU 281.91s WALL ( 22017 calls) s_psi : 26.06s CPU 25.93s WALL ( 22017 calls) g_psi : 0.70s CPU 0.74s WALL ( 20630 calls) cdiaghg : 250.18s CPU 253.28s WALL ( 20903 calls) cegterg:over : 26.35s CPU 26.40s WALL ( 20630 calls) cegterg:upda : 27.33s CPU 27.29s WALL ( 20630 calls) cegterg:last : 9.86s CPU 9.82s WALL ( 1933 calls) cdiaghg:chol : 14.45s CPU 14.62s WALL ( 20903 calls) cdiaghg:inve : 10.39s CPU 10.53s WALL ( 20903 calls) cdiaghg:para : 17.52s CPU 17.60s WALL ( 41806 calls) Called by h_psi: h_psi:vloc : 223.93s CPU 227.09s WALL ( 22017 calls) h_psi:vnl : 53.36s CPU 53.84s WALL ( 22017 calls) add_vuspsi : 28.01s CPU 28.08s WALL ( 22017 calls) General routines calbec : 25.25s CPU 25.70s WALL ( 22017 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 209.61s CPU 212.28s WALL ( 1803572 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.28s CPU 1.06s WALL ( 546 calls) Parallel routines fft_scatter : 69.44s CPU 69.40s WALL ( 1803595 calls) PWSCF : 11m 2.50s CPU 11m23.63s WALL This run was terminated on: 21:49:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=