Program PWSCF v.5.4.0 starts on 3Aug2017 at 20:23:20 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./KAlH4.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 95 62 17 5603 2990 447 Max 96 63 18 5606 3033 452 Sum 3425 2263 635 201761 108545 16181 bravais-lattice index = 14 lattice parameter (alat) = 11.0719 a.u. unit-cell volume = 2576.9405 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.071905 celldm(2)= 1.260795 celldm(3)= 1.505888 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.260795 0.000000 ) a(3) = ( 0.000000 0.000000 1.505888 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.793150 -0.000000 ) b(3) = ( 0.000000 0.000000 0.664060 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 H 1.00 1.00790 H( 1.00) K 9.00 39.09830 K( 1.00) Al 3.00 26.98150 Al( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 280 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0185185 -0.0000000 -0.0000000), wk = 0.0035714 k( 3) = ( 0.0370370 -0.0000000 -0.0000000), wk = 0.0035714 k( 4) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0035714 k( 5) = ( 0.0740741 -0.0000000 -0.0000000), wk = 0.0035714 k( 6) = ( 0.0925926 -0.0000000 -0.0000000), wk = 0.0035714 k( 7) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0035714 k( 8) = ( 0.1296296 -0.0000000 -0.0000000), wk = 0.0035714 k( 9) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0035714 k( 10) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0035714 k( 11) = ( 0.1851852 -0.0000000 -0.0000000), wk = 0.0035714 k( 12) = ( 0.2037037 -0.0000000 -0.0000000), wk = 0.0035714 k( 13) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0035714 k( 14) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0035714 k( 15) = ( 0.2592593 -0.0000000 -0.0000000), wk = 0.0035714 k( 16) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0035714 k( 17) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0035714 k( 18) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0035714 k( 19) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0035714 k( 20) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0035714 k( 21) = ( 0.3703704 -0.0000000 -0.0000000), wk = 0.0035714 k( 22) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0035714 k( 23) = ( 0.4074074 -0.0000000 -0.0000000), wk = 0.0035714 k( 24) = ( 0.4259259 -0.0000000 -0.0000000), wk = 0.0035714 k( 25) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0035714 k( 26) = ( 0.4629630 -0.0000000 -0.0000000), wk = 0.0035714 k( 27) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0035714 k( 28) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035714 k( 29) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035714 k( 30) = ( 0.5000000 0.0180261 -0.0000000), wk = 0.0035714 k( 31) = ( 0.5000000 0.0360523 -0.0000000), wk = 0.0035714 k( 32) = ( 0.5000000 0.0540784 -0.0000000), wk = 0.0035714 k( 33) = ( 0.5000000 0.0721046 -0.0000000), wk = 0.0035714 k( 34) = ( 0.5000000 0.0901307 -0.0000000), wk = 0.0035714 k( 35) = ( 0.5000000 0.1081568 -0.0000000), wk = 0.0035714 k( 36) = ( 0.5000000 0.1261830 -0.0000000), wk = 0.0035714 k( 37) = ( 0.5000000 0.1442091 -0.0000000), wk = 0.0035714 k( 38) = ( 0.5000000 0.1622352 -0.0000000), wk = 0.0035714 k( 39) = ( 0.5000000 0.1802614 -0.0000000), wk = 0.0035714 k( 40) = ( 0.5000000 0.1982875 -0.0000000), wk = 0.0035714 k( 41) = ( 0.5000000 0.2163137 -0.0000000), wk = 0.0035714 k( 42) = ( 0.5000000 0.2343398 -0.0000000), wk = 0.0035714 k( 43) = ( 0.5000000 0.2523660 -0.0000000), wk = 0.0035714 k( 44) = ( 0.5000000 0.2703921 -0.0000000), wk = 0.0035714 k( 45) = ( 0.5000000 0.2884182 -0.0000000), wk = 0.0035714 k( 46) = ( 0.5000000 0.3064444 -0.0000000), wk = 0.0035714 k( 47) = ( 0.5000000 0.3244705 -0.0000000), wk = 0.0035714 k( 48) = ( 0.5000000 0.3424966 -0.0000000), wk = 0.0035714 k( 49) = ( 0.5000000 0.3605228 -0.0000000), wk = 0.0035714 k( 50) = ( 0.5000000 0.3785489 -0.0000000), wk = 0.0035714 k( 51) = ( 0.5000000 0.3965751 -0.0000000), wk = 0.0035714 k( 52) = ( 0.5000000 0.3965751 -0.0000000), wk = 0.0035714 k( 53) = ( 0.4814815 0.3965751 -0.0000000), wk = 0.0035714 k( 54) = ( 0.4629630 0.3965751 -0.0000000), wk = 0.0035714 k( 55) = ( 0.4444444 0.3965751 -0.0000000), wk = 0.0035714 k( 56) = ( 0.4259259 0.3965751 -0.0000000), wk = 0.0035714 k( 57) = ( 0.4074074 0.3965751 -0.0000000), wk = 0.0035714 k( 58) = ( 0.3888889 0.3965751 -0.0000000), wk = 0.0035714 k( 59) = ( 0.3703704 0.3965751 -0.0000000), wk = 0.0035714 k( 60) = ( 0.3518519 0.3965751 -0.0000000), wk = 0.0035714 k( 61) = ( 0.3333333 0.3965751 -0.0000000), wk = 0.0035714 k( 62) = ( 0.3148148 0.3965751 -0.0000000), wk = 0.0035714 k( 63) = ( 0.2962963 0.3965751 -0.0000000), wk = 0.0035714 k( 64) = ( 0.2777778 0.3965751 -0.0000000), wk = 0.0035714 k( 65) = ( 0.2592593 0.3965751 -0.0000000), wk = 0.0035714 k( 66) = ( 0.2407407 0.3965751 -0.0000000), wk = 0.0035714 k( 67) = ( 0.2222222 0.3965751 -0.0000000), wk = 0.0035714 k( 68) = ( 0.2037037 0.3965751 -0.0000000), wk = 0.0035714 k( 69) = ( 0.1851852 0.3965751 -0.0000000), wk = 0.0035714 k( 70) = ( 0.1666667 0.3965751 -0.0000000), wk = 0.0035714 k( 71) = ( 0.1481482 0.3965751 -0.0000000), wk = 0.0035714 k( 72) = ( 0.1296296 0.3965751 -0.0000000), wk = 0.0035714 k( 73) = ( 0.1111111 0.3965751 -0.0000000), wk = 0.0035714 k( 74) = ( 0.0925926 0.3965751 -0.0000000), wk = 0.0035714 k( 75) = ( 0.0740741 0.3965751 -0.0000000), wk = 0.0035714 k( 76) = ( 0.0555556 0.3965751 -0.0000000), wk = 0.0035714 k( 77) = ( 0.0370370 0.3965751 -0.0000000), wk = 0.0035714 k( 78) = ( 0.0185185 0.3965751 -0.0000000), wk = 0.0035714 k( 79) = ( 0.0000000 0.3965751 -0.0000000), wk = 0.0035714 k( 80) = ( 0.0000000 0.3965751 -0.0000000), wk = 0.0035714 k( 81) = ( 0.0000000 0.3785489 -0.0000000), wk = 0.0035714 k( 82) = ( 0.0000000 0.3605228 -0.0000000), wk = 0.0035714 k( 83) = ( 0.0000000 0.3424966 -0.0000000), wk = 0.0035714 k( 84) = ( 0.0000000 0.3244705 -0.0000000), wk = 0.0035714 k( 85) = ( 0.0000000 0.3064444 -0.0000000), wk = 0.0035714 k( 86) = ( 0.0000000 0.2884182 -0.0000000), wk = 0.0035714 k( 87) = ( 0.0000000 0.2703921 -0.0000000), wk = 0.0035714 k( 88) = ( 0.0000000 0.2523660 -0.0000000), wk = 0.0035714 k( 89) = ( 0.0000000 0.2343398 -0.0000000), wk = 0.0035714 k( 90) = ( 0.0000000 0.2163137 -0.0000000), wk = 0.0035714 k( 91) = ( 0.0000000 0.1982875 -0.0000000), wk = 0.0035714 k( 92) = ( 0.0000000 0.1802614 -0.0000000), wk = 0.0035714 k( 93) = ( 0.0000000 0.1622352 -0.0000000), wk = 0.0035714 k( 94) = ( 0.0000000 0.1442091 -0.0000000), wk = 0.0035714 k( 95) = ( 0.0000000 0.1261830 -0.0000000), wk = 0.0035714 k( 96) = ( 0.0000000 0.1081568 -0.0000000), wk = 0.0035714 k( 97) = ( 0.0000000 0.0901307 -0.0000000), wk = 0.0035714 k( 98) = ( 0.0000000 0.0721046 -0.0000000), wk = 0.0035714 k( 99) = ( 0.0000000 0.0540784 -0.0000000), wk = 0.0035714 k( 100) = ( 0.0000000 0.0360523 -0.0000000), wk = 0.0035714 k( 101) = ( 0.0000000 0.0180261 -0.0000000), wk = 0.0035714 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 104) = ( 0.0000000 0.0000000 0.0184461), wk = 0.0035714 k( 105) = ( 0.0000000 0.0000000 0.0368922), wk = 0.0035714 k( 106) = ( 0.0000000 0.0000000 0.0553383), wk = 0.0035714 k( 107) = ( 0.0000000 0.0000000 0.0737844), wk = 0.0035714 k( 108) = ( 0.0000000 0.0000000 0.0922305), wk = 0.0035714 k( 109) = ( 0.0000000 0.0000000 0.1106766), wk = 0.0035714 k( 110) = ( 0.0000000 0.0000000 0.1291227), wk = 0.0035714 k( 111) = ( 0.0000000 0.0000000 0.1475689), wk = 0.0035714 k( 112) = ( 0.0000000 0.0000000 0.1660150), wk = 0.0035714 k( 113) = ( 0.0000000 0.0000000 0.1844611), wk = 0.0035714 k( 114) = ( 0.0000000 0.0000000 0.2029072), wk = 0.0035714 k( 115) = ( 0.0000000 0.0000000 0.2213533), wk = 0.0035714 k( 116) = ( 0.0000000 0.0000000 0.2397994), wk = 0.0035714 k( 117) = ( 0.0000000 0.0000000 0.2582455), wk = 0.0035714 k( 118) = ( 0.0000000 0.0000000 0.2766916), wk = 0.0035714 k( 119) = ( 0.0000000 0.0000000 0.2951377), wk = 0.0035714 k( 120) = ( 0.0000000 0.0000000 0.3135838), wk = 0.0035714 k( 121) = ( 0.0000000 0.0000000 0.3320299), wk = 0.0035714 k( 122) = ( 0.0000000 0.0000000 0.3320299), wk = 0.0035714 k( 123) = ( 0.0185185 -0.0000000 0.3320299), wk = 0.0035714 k( 124) = ( 0.0370370 -0.0000000 0.3320299), wk = 0.0035714 k( 125) = ( 0.0555556 -0.0000000 0.3320299), wk = 0.0035714 k( 126) = ( 0.0740741 -0.0000000 0.3320299), wk = 0.0035714 k( 127) = ( 0.0925926 -0.0000000 0.3320299), wk = 0.0035714 k( 128) = ( 0.1111111 -0.0000000 0.3320299), wk = 0.0035714 k( 129) = ( 0.1296296 -0.0000000 0.3320299), wk = 0.0035714 k( 130) = ( 0.1481482 -0.0000000 0.3320299), wk = 0.0035714 k( 131) = ( 0.1666667 -0.0000000 0.3320299), wk = 0.0035714 k( 132) = ( 0.1851852 -0.0000000 0.3320299), wk = 0.0035714 k( 133) = ( 0.2037037 -0.0000000 0.3320299), wk = 0.0035714 k( 134) = ( 0.2222222 -0.0000000 0.3320299), wk = 0.0035714 k( 135) = ( 0.2407407 -0.0000000 0.3320299), wk = 0.0035714 k( 136) = ( 0.2592593 -0.0000000 0.3320299), wk = 0.0035714 k( 137) = ( 0.2777778 -0.0000000 0.3320299), wk = 0.0035714 k( 138) = ( 0.2962963 -0.0000000 0.3320299), wk = 0.0035714 k( 139) = ( 0.3148148 -0.0000000 0.3320299), wk = 0.0035714 k( 140) = ( 0.3333333 -0.0000000 0.3320299), wk = 0.0035714 k( 141) = ( 0.3518519 -0.0000000 0.3320299), wk = 0.0035714 k( 142) = ( 0.3703704 -0.0000000 0.3320299), wk = 0.0035714 k( 143) = ( 0.3888889 -0.0000000 0.3320299), wk = 0.0035714 k( 144) = ( 0.4074074 -0.0000000 0.3320299), wk = 0.0035714 k( 145) = ( 0.4259259 -0.0000000 0.3320299), wk = 0.0035714 k( 146) = ( 0.4444444 -0.0000000 0.3320299), wk = 0.0035714 k( 147) = ( 0.4629630 -0.0000000 0.3320299), wk = 0.0035714 k( 148) = ( 0.4814815 -0.0000000 0.3320299), wk = 0.0035714 k( 149) = ( 0.5000000 -0.0000000 0.3320299), wk = 0.0035714 k( 150) = ( 0.5000000 -0.0000000 0.3320299), wk = 0.0035714 k( 151) = ( 0.5000000 0.0180261 0.3320299), wk = 0.0035714 k( 152) = ( 0.5000000 0.0360523 0.3320299), wk = 0.0035714 k( 153) = ( 0.5000000 0.0540784 0.3320299), wk = 0.0035714 k( 154) = ( 0.5000000 0.0721046 0.3320299), wk = 0.0035714 k( 155) = ( 0.5000000 0.0901307 0.3320299), wk = 0.0035714 k( 156) = ( 0.5000000 0.1081568 0.3320299), wk = 0.0035714 k( 157) = ( 0.5000000 0.1261830 0.3320299), wk = 0.0035714 k( 158) = ( 0.5000000 0.1442091 0.3320299), wk = 0.0035714 k( 159) = ( 0.5000000 0.1622352 0.3320299), wk = 0.0035714 k( 160) = ( 0.5000000 0.1802614 0.3320299), wk = 0.0035714 k( 161) = ( 0.5000000 0.1982875 0.3320299), wk = 0.0035714 k( 162) = ( 0.5000000 0.2163137 0.3320299), wk = 0.0035714 k( 163) = ( 0.5000000 0.2343398 0.3320299), wk = 0.0035714 k( 164) = ( 0.5000000 0.2523660 0.3320299), wk = 0.0035714 k( 165) = ( 0.5000000 0.2703921 0.3320299), wk = 0.0035714 k( 166) = ( 0.5000000 0.2884182 0.3320299), wk = 0.0035714 k( 167) = ( 0.5000000 0.3064444 0.3320299), wk = 0.0035714 k( 168) = ( 0.5000000 0.3244705 0.3320299), wk = 0.0035714 k( 169) = ( 0.5000000 0.3424966 0.3320299), wk = 0.0035714 k( 170) = ( 0.5000000 0.3605228 0.3320299), wk = 0.0035714 k( 171) = ( 0.5000000 0.3785489 0.3320299), wk = 0.0035714 k( 172) = ( 0.5000000 0.3965751 0.3320299), wk = 0.0035714 k( 173) = ( 0.5000000 0.3965751 0.3320299), wk = 0.0035714 k( 174) = ( 0.4814815 0.3965751 0.3320299), wk = 0.0035714 k( 175) = ( 0.4629630 0.3965751 0.3320299), wk = 0.0035714 k( 176) = ( 0.4444444 0.3965751 0.3320299), wk = 0.0035714 k( 177) = ( 0.4259259 0.3965751 0.3320299), wk = 0.0035714 k( 178) = ( 0.4074074 0.3965751 0.3320299), wk = 0.0035714 k( 179) = ( 0.3888889 0.3965751 0.3320299), wk = 0.0035714 k( 180) = ( 0.3703704 0.3965751 0.3320299), wk = 0.0035714 k( 181) = ( 0.3518519 0.3965751 0.3320299), wk = 0.0035714 k( 182) = ( 0.3333333 0.3965751 0.3320299), wk = 0.0035714 k( 183) = ( 0.3148148 0.3965751 0.3320299), wk = 0.0035714 k( 184) = ( 0.2962963 0.3965751 0.3320299), wk = 0.0035714 k( 185) = ( 0.2777778 0.3965751 0.3320299), wk = 0.0035714 k( 186) = ( 0.2592593 0.3965751 0.3320299), wk = 0.0035714 k( 187) = ( 0.2407407 0.3965751 0.3320299), wk = 0.0035714 k( 188) = ( 0.2222222 0.3965751 0.3320299), wk = 0.0035714 k( 189) = ( 0.2037037 0.3965751 0.3320299), wk = 0.0035714 k( 190) = ( 0.1851852 0.3965751 0.3320299), wk = 0.0035714 k( 191) = ( 0.1666667 0.3965751 0.3320299), wk = 0.0035714 k( 192) = ( 0.1481482 0.3965751 0.3320299), wk = 0.0035714 k( 193) = ( 0.1296296 0.3965751 0.3320299), wk = 0.0035714 k( 194) = ( 0.1111111 0.3965751 0.3320299), wk = 0.0035714 k( 195) = ( 0.0925926 0.3965751 0.3320299), wk = 0.0035714 k( 196) = ( 0.0740741 0.3965751 0.3320299), wk = 0.0035714 k( 197) = ( 0.0555556 0.3965751 0.3320299), wk = 0.0035714 k( 198) = ( 0.0370370 0.3965751 0.3320299), wk = 0.0035714 k( 199) = ( 0.0185185 0.3965751 0.3320299), wk = 0.0035714 k( 200) = ( 0.0000000 0.3965751 0.3320299), wk = 0.0035714 k( 201) = ( 0.0000000 0.3965751 0.3320299), wk = 0.0035714 k( 202) = ( 0.0000000 0.3785489 0.3320299), wk = 0.0035714 k( 203) = ( 0.0000000 0.3605228 0.3320299), wk = 0.0035714 k( 204) = ( 0.0000000 0.3424966 0.3320299), wk = 0.0035714 k( 205) = ( 0.0000000 0.3244705 0.3320299), wk = 0.0035714 k( 206) = ( 0.0000000 0.3064444 0.3320299), wk = 0.0035714 k( 207) = ( 0.0000000 0.2884182 0.3320299), wk = 0.0035714 k( 208) = ( 0.0000000 0.2703921 0.3320299), wk = 0.0035714 k( 209) = ( 0.0000000 0.2523660 0.3320299), wk = 0.0035714 k( 210) = ( 0.0000000 0.2343398 0.3320299), wk = 0.0035714 k( 211) = ( 0.0000000 0.2163137 0.3320299), wk = 0.0035714 k( 212) = ( 0.0000000 0.1982875 0.3320299), wk = 0.0035714 k( 213) = ( 0.0000000 0.1802614 0.3320299), wk = 0.0035714 k( 214) = ( 0.0000000 0.1622352 0.3320299), wk = 0.0035714 k( 215) = ( 0.0000000 0.1442091 0.3320299), wk = 0.0035714 k( 216) = ( 0.0000000 0.1261830 0.3320299), wk = 0.0035714 k( 217) = ( 0.0000000 0.1081568 0.3320299), wk = 0.0035714 k( 218) = ( 0.0000000 0.0901307 0.3320299), wk = 0.0035714 k( 219) = ( 0.0000000 0.0721046 0.3320299), wk = 0.0035714 k( 220) = ( 0.0000000 0.0540784 0.3320299), wk = 0.0035714 k( 221) = ( 0.0000000 0.0360523 0.3320299), wk = 0.0035714 k( 222) = ( 0.0000000 0.0180261 0.3320299), wk = 0.0035714 k( 223) = ( 0.0000000 0.0000000 0.3320299), wk = 0.0035714 k( 224) = ( 0.0000000 0.3965751 -0.0000000), wk = 0.0035714 k( 225) = ( 0.0000000 0.3965751 0.0184461), wk = 0.0035714 k( 226) = ( 0.0000000 0.3965751 0.0368922), wk = 0.0035714 k( 227) = ( 0.0000000 0.3965751 0.0553383), wk = 0.0035714 k( 228) = ( 0.0000000 0.3965751 0.0737844), wk = 0.0035714 k( 229) = ( 0.0000000 0.3965751 0.0922305), wk = 0.0035714 k( 230) = ( 0.0000000 0.3965751 0.1106766), wk = 0.0035714 k( 231) = ( 0.0000000 0.3965751 0.1291227), wk = 0.0035714 k( 232) = ( 0.0000000 0.3965751 0.1475689), wk = 0.0035714 k( 233) = ( 0.0000000 0.3965751 0.1660150), wk = 0.0035714 k( 234) = ( 0.0000000 0.3965751 0.1844611), wk = 0.0035714 k( 235) = ( 0.0000000 0.3965751 0.2029072), wk = 0.0035714 k( 236) = ( 0.0000000 0.3965751 0.2213533), wk = 0.0035714 k( 237) = ( 0.0000000 0.3965751 0.2397994), wk = 0.0035714 k( 238) = ( 0.0000000 0.3965751 0.2582455), wk = 0.0035714 k( 239) = ( 0.0000000 0.3965751 0.2766916), wk = 0.0035714 k( 240) = ( 0.0000000 0.3965751 0.2951377), wk = 0.0035714 k( 241) = ( 0.0000000 0.3965751 0.3135838), wk = 0.0035714 k( 242) = ( 0.0000000 0.3965751 0.3320299), wk = 0.0035714 k( 243) = ( 0.5000000 -0.0000000 0.3320299), wk = 0.0035714 k( 244) = ( 0.5000000 -0.0000000 0.3135838), wk = 0.0035714 k( 245) = ( 0.5000000 -0.0000000 0.2951377), wk = 0.0035714 k( 246) = ( 0.5000000 -0.0000000 0.2766916), wk = 0.0035714 k( 247) = ( 0.5000000 -0.0000000 0.2582455), wk = 0.0035714 k( 248) = ( 0.5000000 -0.0000000 0.2397994), wk = 0.0035714 k( 249) = ( 0.5000000 -0.0000000 0.2213533), wk = 0.0035714 k( 250) = ( 0.5000000 -0.0000000 0.2029072), wk = 0.0035714 k( 251) = ( 0.5000000 -0.0000000 0.1844611), wk = 0.0035714 k( 252) = ( 0.5000000 -0.0000000 0.1660150), wk = 0.0035714 k( 253) = ( 0.5000000 -0.0000000 0.1475689), wk = 0.0035714 k( 254) = ( 0.5000000 -0.0000000 0.1291227), wk = 0.0035714 k( 255) = ( 0.5000000 -0.0000000 0.1106766), wk = 0.0035714 k( 256) = ( 0.5000000 -0.0000000 0.0922305), wk = 0.0035714 k( 257) = ( 0.5000000 -0.0000000 0.0737844), wk = 0.0035714 k( 258) = ( 0.5000000 -0.0000000 0.0553383), wk = 0.0035714 k( 259) = ( 0.5000000 -0.0000000 0.0368922), wk = 0.0035714 k( 260) = ( 0.5000000 -0.0000000 0.0184461), wk = 0.0035714 k( 261) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0035714 k( 262) = ( 0.5000000 0.3965751 -0.0000000), wk = 0.0035714 k( 263) = ( 0.5000000 0.3965751 0.0184461), wk = 0.0035714 k( 264) = ( 0.5000000 0.3965751 0.0368922), wk = 0.0035714 k( 265) = ( 0.5000000 0.3965751 0.0553383), wk = 0.0035714 k( 266) = ( 0.5000000 0.3965751 0.0737844), wk = 0.0035714 k( 267) = ( 0.5000000 0.3965751 0.0922305), wk = 0.0035714 k( 268) = ( 0.5000000 0.3965751 0.1106766), wk = 0.0035714 k( 269) = ( 0.5000000 0.3965751 0.1291227), wk = 0.0035714 k( 270) = ( 0.5000000 0.3965751 0.1475689), wk = 0.0035714 k( 271) = ( 0.5000000 0.3965751 0.1660150), wk = 0.0035714 k( 272) = ( 0.5000000 0.3965751 0.1844611), wk = 0.0035714 k( 273) = ( 0.5000000 0.3965751 0.2029072), wk = 0.0035714 k( 274) = ( 0.5000000 0.3965751 0.2213533), wk = 0.0035714 k( 275) = ( 0.5000000 0.3965751 0.2397994), wk = 0.0035714 k( 276) = ( 0.5000000 0.3965751 0.2582455), wk = 0.0035714 k( 277) = ( 0.5000000 0.3965751 0.2766916), wk = 0.0035714 k( 278) = ( 0.5000000 0.3965751 0.2951377), wk = 0.0035714 k( 279) = ( 0.5000000 0.3965751 0.3135838), wk = 0.0035714 k( 280) = ( 0.5000000 0.3965751 0.3320299), wk = 0.0035714 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0185185 -0.0000000 0.0000000), wk = 0.0035714 k( 3) = ( 0.0370370 -0.0000000 0.0000000), wk = 0.0035714 k( 4) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0035714 k( 5) = ( 0.0740741 -0.0000000 -0.0000000), wk = 0.0035714 k( 6) = ( 0.0925926 -0.0000000 0.0000000), wk = 0.0035714 k( 7) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0035714 k( 8) = ( 0.1296296 -0.0000000 0.0000000), wk = 0.0035714 k( 9) = ( 0.1481482 0.0000000 -0.0000000), wk = 0.0035714 k( 10) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0035714 k( 11) = ( 0.1851852 -0.0000000 0.0000000), wk = 0.0035714 k( 12) = ( 0.2037037 -0.0000000 0.0000000), wk = 0.0035714 k( 13) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0035714 k( 14) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0035714 k( 15) = ( 0.2592593 -0.0000000 0.0000000), wk = 0.0035714 k( 16) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0035714 k( 17) = ( 0.2962963 0.0000000 -0.0000000), wk = 0.0035714 k( 18) = ( 0.3148148 -0.0000000 0.0000000), wk = 0.0035714 k( 19) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0035714 k( 20) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0035714 k( 21) = ( 0.3703704 -0.0000000 -0.0000000), wk = 0.0035714 k( 22) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0035714 k( 23) = ( 0.4074074 0.0000000 0.0000000), wk = 0.0035714 k( 24) = ( 0.4259259 0.0000000 0.0000000), wk = 0.0035714 k( 25) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0035714 k( 26) = ( 0.4629630 -0.0000000 -0.0000000), wk = 0.0035714 k( 27) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0035714 k( 28) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035714 k( 29) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035714 k( 30) = ( 0.5000000 0.0227273 0.0000000), wk = 0.0035714 k( 31) = ( 0.5000000 0.0454546 -0.0000000), wk = 0.0035714 k( 32) = ( 0.5000000 0.0681818 -0.0000000), wk = 0.0035714 k( 33) = ( 0.5000000 0.0909091 -0.0000000), wk = 0.0035714 k( 34) = ( 0.5000000 0.1136364 -0.0000000), wk = 0.0035714 k( 35) = ( 0.5000000 0.1363636 0.0000000), wk = 0.0035714 k( 36) = ( 0.5000000 0.1590909 -0.0000000), wk = 0.0035714 k( 37) = ( 0.5000000 0.1818182 0.0000000), wk = 0.0035714 k( 38) = ( 0.5000000 0.2045454 -0.0000000), wk = 0.0035714 k( 39) = ( 0.5000000 0.2272727 -0.0000000), wk = 0.0035714 k( 40) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0035714 k( 41) = ( 0.5000000 0.2727273 0.0000000), wk = 0.0035714 k( 42) = ( 0.5000000 0.2954545 -0.0000000), wk = 0.0035714 k( 43) = ( 0.5000000 0.3181818 -0.0000000), wk = 0.0035714 k( 44) = ( 0.5000000 0.3409091 -0.0000000), wk = 0.0035714 k( 45) = ( 0.5000000 0.3636364 -0.0000000), wk = 0.0035714 k( 46) = ( 0.5000000 0.3863636 -0.0000000), wk = 0.0035714 k( 47) = ( 0.5000000 0.4090909 -0.0000000), wk = 0.0035714 k( 48) = ( 0.5000000 0.4318182 -0.0000000), wk = 0.0035714 k( 49) = ( 0.5000000 0.4545455 -0.0000000), wk = 0.0035714 k( 50) = ( 0.5000000 0.4772727 -0.0000000), wk = 0.0035714 k( 51) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035714 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035714 k( 53) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0035714 k( 54) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0035714 k( 55) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0035714 k( 56) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0035714 k( 57) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0035714 k( 58) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0035714 k( 59) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0035714 k( 60) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0035714 k( 61) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0035714 k( 62) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0035714 k( 63) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0035714 k( 64) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0035714 k( 65) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0035714 k( 66) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0035714 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0035714 k( 68) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0035714 k( 69) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0035714 k( 70) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0035714 k( 71) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0035714 k( 72) = ( 0.1296296 0.5000000 -0.0000000), wk = 0.0035714 k( 73) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0035714 k( 74) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0035714 k( 75) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0035714 k( 76) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0035714 k( 77) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0035714 k( 78) = ( 0.0185185 0.5000000 -0.0000000), wk = 0.0035714 k( 79) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035714 k( 80) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035714 k( 81) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0035714 k( 82) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0035714 k( 83) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0035714 k( 84) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0035714 k( 85) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0035714 k( 86) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0035714 k( 87) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0035714 k( 88) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0035714 k( 89) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0035714 k( 90) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0035714 k( 91) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0035714 k( 92) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0035714 k( 93) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0035714 k( 94) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0035714 k( 95) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0035714 k( 96) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0035714 k( 97) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0035714 k( 98) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0035714 k( 99) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0035714 k( 100) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0035714 k( 101) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0035714 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 104) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0035714 k( 105) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0035714 k( 106) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0035714 k( 107) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0035714 k( 108) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0035714 k( 109) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0035714 k( 110) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0035714 k( 111) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0035714 k( 112) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035714 k( 113) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0035714 k( 114) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0035714 k( 115) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0035714 k( 116) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0035714 k( 117) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0035714 k( 118) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0035714 k( 119) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0035714 k( 120) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0035714 k( 121) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 122) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 123) = ( 0.0185185 -0.0000000 0.5000000), wk = 0.0035714 k( 124) = ( 0.0370370 -0.0000000 0.5000000), wk = 0.0035714 k( 125) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0035714 k( 126) = ( 0.0740741 -0.0000000 0.5000000), wk = 0.0035714 k( 127) = ( 0.0925926 -0.0000000 0.5000000), wk = 0.0035714 k( 128) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0035714 k( 129) = ( 0.1296296 -0.0000000 0.5000000), wk = 0.0035714 k( 130) = ( 0.1481482 0.0000000 0.5000000), wk = 0.0035714 k( 131) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0035714 k( 132) = ( 0.1851852 -0.0000000 0.5000000), wk = 0.0035714 k( 133) = ( 0.2037037 -0.0000000 0.5000000), wk = 0.0035714 k( 134) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0035714 k( 135) = ( 0.2407407 -0.0000000 0.5000000), wk = 0.0035714 k( 136) = ( 0.2592593 -0.0000000 0.5000000), wk = 0.0035714 k( 137) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0035714 k( 138) = ( 0.2962963 0.0000000 0.5000000), wk = 0.0035714 k( 139) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0035714 k( 140) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0035714 k( 141) = ( 0.3518519 -0.0000000 0.5000000), wk = 0.0035714 k( 142) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0035714 k( 143) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0035714 k( 144) = ( 0.4074074 0.0000000 0.5000000), wk = 0.0035714 k( 145) = ( 0.4259259 0.0000000 0.5000000), wk = 0.0035714 k( 146) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0035714 k( 147) = ( 0.4629630 -0.0000000 0.5000000), wk = 0.0035714 k( 148) = ( 0.4814815 -0.0000000 0.5000000), wk = 0.0035714 k( 149) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 150) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 151) = ( 0.5000000 0.0227273 0.5000000), wk = 0.0035714 k( 152) = ( 0.5000000 0.0454546 0.5000000), wk = 0.0035714 k( 153) = ( 0.5000000 0.0681818 0.5000000), wk = 0.0035714 k( 154) = ( 0.5000000 0.0909091 0.5000000), wk = 0.0035714 k( 155) = ( 0.5000000 0.1136364 0.5000000), wk = 0.0035714 k( 156) = ( 0.5000000 0.1363636 0.5000000), wk = 0.0035714 k( 157) = ( 0.5000000 0.1590909 0.5000000), wk = 0.0035714 k( 158) = ( 0.5000000 0.1818182 0.5000000), wk = 0.0035714 k( 159) = ( 0.5000000 0.2045454 0.5000000), wk = 0.0035714 k( 160) = ( 0.5000000 0.2272727 0.5000000), wk = 0.0035714 k( 161) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0035714 k( 162) = ( 0.5000000 0.2727273 0.5000000), wk = 0.0035714 k( 163) = ( 0.5000000 0.2954545 0.5000000), wk = 0.0035714 k( 164) = ( 0.5000000 0.3181818 0.5000000), wk = 0.0035714 k( 165) = ( 0.5000000 0.3409091 0.5000000), wk = 0.0035714 k( 166) = ( 0.5000000 0.3636364 0.5000000), wk = 0.0035714 k( 167) = ( 0.5000000 0.3863636 0.5000000), wk = 0.0035714 k( 168) = ( 0.5000000 0.4090909 0.5000000), wk = 0.0035714 k( 169) = ( 0.5000000 0.4318182 0.5000000), wk = 0.0035714 k( 170) = ( 0.5000000 0.4545455 0.5000000), wk = 0.0035714 k( 171) = ( 0.5000000 0.4772727 0.5000000), wk = 0.0035714 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 174) = ( 0.4814815 0.5000000 0.5000000), wk = 0.0035714 k( 175) = ( 0.4629630 0.5000000 0.5000000), wk = 0.0035714 k( 176) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0035714 k( 177) = ( 0.4259259 0.5000000 0.5000000), wk = 0.0035714 k( 178) = ( 0.4074074 0.5000000 0.5000000), wk = 0.0035714 k( 179) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0035714 k( 180) = ( 0.3703704 0.5000000 0.5000000), wk = 0.0035714 k( 181) = ( 0.3518519 0.5000000 0.5000000), wk = 0.0035714 k( 182) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0035714 k( 183) = ( 0.3148148 0.5000000 0.5000000), wk = 0.0035714 k( 184) = ( 0.2962963 0.5000000 0.5000000), wk = 0.0035714 k( 185) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0035714 k( 186) = ( 0.2592593 0.5000000 0.5000000), wk = 0.0035714 k( 187) = ( 0.2407407 0.5000000 0.5000000), wk = 0.0035714 k( 188) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0035714 k( 189) = ( 0.2037037 0.5000000 0.5000000), wk = 0.0035714 k( 190) = ( 0.1851852 0.5000000 0.5000000), wk = 0.0035714 k( 191) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0035714 k( 192) = ( 0.1481482 0.5000000 0.5000000), wk = 0.0035714 k( 193) = ( 0.1296296 0.5000000 0.5000000), wk = 0.0035714 k( 194) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0035714 k( 195) = ( 0.0925926 0.5000000 0.5000000), wk = 0.0035714 k( 196) = ( 0.0740741 0.5000000 0.5000000), wk = 0.0035714 k( 197) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0035714 k( 198) = ( 0.0370370 0.5000000 0.5000000), wk = 0.0035714 k( 199) = ( 0.0185185 0.5000000 0.5000000), wk = 0.0035714 k( 200) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035714 k( 201) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035714 k( 202) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0035714 k( 203) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0035714 k( 204) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0035714 k( 205) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0035714 k( 206) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0035714 k( 207) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0035714 k( 208) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0035714 k( 209) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0035714 k( 210) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0035714 k( 211) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0035714 k( 212) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0035714 k( 213) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0035714 k( 214) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0035714 k( 215) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0035714 k( 216) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0035714 k( 217) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0035714 k( 218) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0035714 k( 219) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0035714 k( 220) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0035714 k( 221) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0035714 k( 222) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0035714 k( 223) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 224) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035714 k( 225) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0035714 k( 226) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0035714 k( 227) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0035714 k( 228) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0035714 k( 229) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0035714 k( 230) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0035714 k( 231) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0035714 k( 232) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0035714 k( 233) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0035714 k( 234) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0035714 k( 235) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0035714 k( 236) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0035714 k( 237) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0035714 k( 238) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0035714 k( 239) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0035714 k( 240) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0035714 k( 241) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0035714 k( 242) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035714 k( 243) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035714 k( 244) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0035714 k( 245) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0035714 k( 246) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0035714 k( 247) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0035714 k( 248) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0035714 k( 249) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0035714 k( 250) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0035714 k( 251) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0035714 k( 252) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0035714 k( 253) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0035714 k( 254) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0035714 k( 255) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0035714 k( 256) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0035714 k( 257) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0035714 k( 258) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0035714 k( 259) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0035714 k( 260) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0035714 k( 261) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035714 k( 262) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035714 k( 263) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0035714 k( 264) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0035714 k( 265) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0035714 k( 266) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0035714 k( 267) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0035714 k( 268) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0035714 k( 269) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0035714 k( 270) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0035714 k( 271) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0035714 k( 272) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0035714 k( 273) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0035714 k( 274) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0035714 k( 275) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0035714 k( 276) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0035714 k( 277) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0035714 k( 278) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0035714 k( 279) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0035714 k( 280) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 Dense grid: 201761 G-vectors FFT dimensions: ( 60, 75, 90) Smooth grid: 108545 G-vectors FFT dimensions: ( 48, 64, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.92 Mb ( 796, 76) NL pseudopotentials 1.85 Mb ( 398, 304) Each V/rho on FFT grid 0.21 Mb ( 13500) Each G-vector array 0.04 Mb ( 5605) G-vector shells 0.02 Mb ( 2816) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.69 Mb ( 796, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.71 Mb ( 304, 2, 76) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./KAlH4.save/charge-density.dat Starting wfc are 128 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 7.7 secs Computing kpt #: 4 total cpu time spent up to now is 9.3 secs Computing kpt #: 5 total cpu time spent up to now is 10.9 secs Computing kpt #: 6 total cpu time spent up to now is 12.4 secs Computing kpt #: 7 total cpu time spent up to now is 13.9 secs Computing kpt #: 8 total cpu time spent up to now is 15.5 secs Computing kpt #: 9 total cpu time spent up to now is 17.1 secs Computing kpt #: 10 total cpu time spent up to now is 18.7 secs Computing kpt #: 11 total cpu time spent up to now is 20.4 secs Computing kpt #: 12 total cpu time spent up to now is 22.2 secs Computing kpt #: 13 total cpu time spent up to now is 23.7 secs Computing kpt #: 14 total cpu time spent up to now is 25.3 secs Computing kpt #: 15 total cpu time spent up to now is 27.1 secs Computing kpt #: 16 total cpu time spent up to now is 28.9 secs Computing kpt #: 17 total cpu time spent up to now is 30.8 secs Computing kpt #: 18 total cpu time spent up to now is 33.1 secs Computing kpt #: 19 total cpu time spent up to now is 35.0 secs Computing kpt #: 20 total cpu time spent up to now is 36.8 secs Computing kpt #: 21 total cpu time spent up to now is 38.7 secs Computing kpt #: 22 total cpu time spent up to now is 40.7 secs Computing kpt #: 23 total cpu time spent up to now is 42.6 secs Computing kpt #: 24 total cpu time spent up to now is 44.4 secs Computing kpt #: 25 total cpu time spent up to now is 46.3 secs Computing kpt #: 26 total cpu time spent up to now is 48.2 secs Computing kpt #: 27 total cpu time spent up to now is 50.1 secs Computing kpt #: 28 total cpu time spent up to now is 51.9 secs Computing kpt #: 29 total cpu time spent up to now is 53.9 secs Computing kpt #: 30 total cpu time spent up to now is 55.7 secs Computing kpt #: 31 total cpu time spent up to now is 57.5 secs Computing kpt #: 32 total cpu time spent up to now is 59.5 secs Computing kpt #: 33 total cpu time spent up to now is 61.4 secs Computing kpt #: 34 total cpu time spent up to now is 63.4 secs Computing kpt #: 35 total cpu time spent up to now is 65.4 secs Computing kpt #: 36 total cpu time spent up to now is 67.3 secs Computing kpt #: 37 total cpu time spent up to now is 69.4 secs Computing kpt #: 38 total cpu time spent up to now is 71.2 secs Computing kpt #: 39 total cpu time spent up to now is 73.1 secs Computing kpt #: 40 total cpu time spent up to now is 74.8 secs Computing kpt #: 41 total cpu time spent up to now is 76.6 secs Computing kpt #: 42 total cpu time spent up to now is 78.5 secs Computing kpt #: 43 total cpu time spent up to now is 80.3 secs Computing kpt #: 44 total cpu time spent up to now is 82.2 secs Computing kpt #: 45 total cpu time spent up to now is 84.2 secs Computing kpt #: 46 total cpu time spent up to now is 86.1 secs Computing kpt #: 47 total cpu time spent up to now is 88.5 secs Computing kpt #: 48 total cpu time spent up to now is 90.5 secs Computing kpt #: 49 total cpu time spent up to now is 92.4 secs Computing kpt #: 50 total cpu time spent up to now is 94.3 secs Computing kpt #: 51 total cpu time spent up to now is 96.2 secs Computing kpt #: 52 total cpu time spent up to now is 98.0 secs Computing kpt #: 53 total cpu time spent up to now is 99.9 secs Computing kpt #: 54 total cpu time spent up to now is 101.7 secs Computing kpt #: 55 total cpu time spent up to now is 103.5 secs Computing kpt #: 56 total cpu time spent up to now is 105.4 secs Computing kpt #: 57 total cpu time spent up to now is 107.3 secs Computing kpt #: 58 total cpu time spent up to now is 109.3 secs Computing kpt #: 59 total cpu time spent up to now is 111.2 secs Computing kpt #: 60 total cpu time spent up to now is 113.2 secs Computing kpt #: 61 total cpu time spent up to now is 115.1 secs Computing kpt #: 62 total cpu time spent up to now is 117.1 secs Computing kpt #: 63 total cpu time spent up to now is 119.2 secs Computing kpt #: 64 total cpu time spent up to now is 121.3 secs Computing kpt #: 65 total cpu time spent up to now is 123.4 secs Computing kpt #: 66 total cpu time spent up to now is 125.3 secs Computing kpt #: 67 total cpu time spent up to now is 127.3 secs Computing kpt #: 68 total cpu time spent up to now is 129.1 secs Computing kpt #: 69 total cpu time spent up to now is 131.1 secs Computing kpt #: 70 total cpu time spent up to now is 133.2 secs Computing kpt #: 71 total cpu time spent up to now is 135.2 secs Computing kpt #: 72 total cpu time spent up to now is 137.2 secs Computing kpt #: 73 total cpu time spent up to now is 139.3 secs Computing kpt #: 74 total cpu time spent up to now is 141.4 secs Computing kpt #: 75 total cpu time spent up to now is 143.4 secs Computing kpt #: 76 total cpu time spent up 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Computing kpt #: 92 total cpu time spent up to now is 174.9 secs Computing kpt #: 93 total cpu time spent up to now is 176.6 secs Computing kpt #: 94 total cpu time spent up to now is 178.2 secs Computing kpt #: 95 total cpu time spent up to now is 180.0 secs Computing kpt #: 96 total cpu time spent up to now is 181.5 secs Computing kpt #: 97 total cpu time spent up to now is 183.3 secs Computing kpt #: 98 total cpu time spent up to now is 184.8 secs Computing kpt #: 99 total cpu time spent up to now is 186.4 secs Computing kpt #: 100 total cpu time spent up to now is 188.0 secs Computing kpt #: 101 total cpu time spent up to now is 189.7 secs Computing kpt #: 102 total cpu time spent up to now is 191.2 secs Computing kpt #: 103 total cpu time spent up to now is 192.9 secs Computing kpt #: 104 total cpu time spent up to now is 194.5 secs Computing kpt #: 105 total cpu time spent up to now is 196.1 secs Computing kpt #: 106 total cpu time spent up to now is 197.6 secs Computing kpt #: 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cpu time spent up to now is 226.5 secs Computing kpt #: 123 total cpu time spent up to now is 228.2 secs Computing kpt #: 124 total cpu time spent up to now is 229.9 secs Computing kpt #: 125 total cpu time spent up to now is 231.6 secs Computing kpt #: 126 total cpu time spent up to now is 233.3 secs Computing kpt #: 127 total cpu time spent up to now is 235.0 secs Computing kpt #: 128 total cpu time spent up to now is 236.6 secs Computing kpt #: 129 total cpu time spent up to now is 238.1 secs Computing kpt #: 130 total cpu time spent up to now is 239.7 secs Computing kpt #: 131 total cpu time spent up to now is 241.2 secs Computing kpt #: 132 total cpu time spent up to now is 242.7 secs Computing kpt #: 133 total cpu time spent up to now is 244.3 secs Computing kpt #: 134 total cpu time spent up to now is 245.8 secs Computing kpt #: 135 total cpu time spent up to now is 247.4 secs Computing kpt #: 136 total cpu time spent up to now is 249.1 secs Computing kpt #: 137 total cpu time spent up to now is 250.8 secs Computing kpt #: 138 total cpu time spent up to now is 252.5 secs Computing kpt #: 139 total cpu time spent up to now is 254.3 secs Computing kpt #: 140 total cpu time spent up to now is 256.0 secs Computing kpt #: 141 total cpu time spent up to now is 257.8 secs Computing kpt #: 142 total cpu time spent up to now is 259.5 secs Computing kpt #: 143 total cpu time spent up to now is 261.4 secs Computing kpt #: 144 total cpu time spent up to now is 263.1 secs Computing kpt #: 145 total cpu time spent up to now is 265.0 secs Computing kpt #: 146 total cpu time spent up to now is 266.8 secs Computing kpt #: 147 total cpu time spent up to now is 268.7 secs Computing kpt #: 148 total cpu time spent up to now is 270.6 secs Computing kpt #: 149 total cpu time spent up to now is 272.5 secs Computing kpt #: 150 total cpu time spent up to now is 274.5 secs Computing kpt #: 151 total cpu time spent up to now is 276.4 secs Computing kpt #: 152 total cpu time spent up to now is 278.3 secs Computing kpt #: 153 total cpu time spent up to now is 280.3 secs Computing kpt #: 154 total cpu time spent up to now is 282.1 secs Computing kpt #: 155 total cpu time spent up to now is 283.9 secs Computing kpt #: 156 total cpu time spent up to now is 285.8 secs Computing kpt #: 157 total cpu time spent up to now is 287.6 secs Computing kpt #: 158 total cpu time spent up to now is 289.4 secs Computing kpt #: 159 total cpu time spent up to now is 291.2 secs Computing kpt #: 160 total cpu time spent up to now is 293.0 secs Computing kpt #: 161 total cpu time spent up to now is 294.9 secs Computing kpt #: 162 total cpu time spent up to now is 296.7 secs Computing kpt #: 163 total cpu time spent up to now is 299.1 secs Computing kpt #: 164 total cpu time spent up to now is 302.1 secs Computing kpt #: 165 total cpu time spent up to now is 305.0 secs Computing kpt #: 166 total cpu time spent up to now is 307.9 secs Computing kpt #: 167 total cpu time spent up to now is 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Computing kpt #: 183 total cpu time spent up to now is 345.1 secs Computing kpt #: 184 total cpu time spent up to now is 347.4 secs Computing kpt #: 185 total cpu time spent up to now is 349.3 secs Computing kpt #: 186 total cpu time spent up to now is 351.1 secs Computing kpt #: 187 total cpu time spent up to now is 352.8 secs Computing kpt #: 188 total cpu time spent up to now is 354.6 secs Computing kpt #: 189 total cpu time spent up to now is 356.1 secs Computing kpt #: 190 total cpu time spent up to now is 357.6 secs Computing kpt #: 191 total cpu time spent up to now is 359.2 secs Computing kpt #: 192 total cpu time spent up to now is 360.9 secs Computing kpt #: 193 total cpu time spent up to now is 362.4 secs Computing kpt #: 194 total cpu time spent up to now is 364.2 secs Computing kpt #: 195 total cpu time spent up to now is 365.7 secs Computing kpt #: 196 total cpu time spent up to now is 367.4 secs Computing kpt #: 197 total cpu time spent up to now is 369.2 secs Computing kpt #: 198 total cpu time spent up to now is 371.0 secs Computing kpt #: 199 total cpu time spent up to now is 372.8 secs Computing kpt #: 200 total cpu time spent up to now is 374.5 secs Computing kpt #: 201 total cpu time spent up to now is 376.3 secs Computing kpt #: 202 total cpu time spent up to now is 378.1 secs Computing kpt #: 203 total cpu time spent up to now is 379.9 secs Computing kpt #: 204 total cpu time spent up to now is 381.7 secs Computing kpt #: 205 total cpu time spent up to now is 383.5 secs Computing kpt #: 206 total cpu time spent up to now is 385.3 secs Computing kpt #: 207 total cpu time spent up to now is 387.0 secs Computing kpt #: 208 total cpu time spent up to now is 389.3 secs Computing kpt #: 209 total cpu time spent up to now is 391.1 secs Computing kpt #: 210 total cpu time spent up to now is 392.8 secs Computing kpt #: 211 total cpu time spent up to now is 394.6 secs Computing kpt #: 212 total cpu time spent up to now is 396.3 secs Computing kpt #: 213 total cpu time spent up to now is 398.0 secs Computing kpt #: 214 total cpu time spent up to now is 399.7 secs Computing kpt #: 215 total cpu time spent up to now is 401.4 secs Computing kpt #: 216 total cpu time spent up to now is 403.2 secs Computing kpt #: 217 total cpu time spent up to now is 404.9 secs Computing kpt #: 218 total cpu time spent up to now is 406.6 secs Computing kpt #: 219 total cpu time spent up to now is 408.4 secs Computing kpt #: 220 total cpu time spent up to now is 410.1 secs Computing kpt #: 221 total cpu time spent up to now is 411.8 secs Computing kpt #: 222 total cpu time spent up to now is 413.5 secs Computing kpt #: 223 total cpu time spent up to now is 415.2 secs Computing kpt #: 224 total cpu time spent up to now is 417.1 secs Computing kpt #: 225 total cpu time spent up to now is 419.0 secs Computing kpt #: 226 total cpu time spent up to now is 420.9 secs Computing kpt #: 227 total cpu time spent up to now is 422.7 secs Computing kpt #: 228 total cpu time spent up to now is 424.6 secs Computing kpt #: 229 total cpu time spent up to now is 426.4 secs Computing kpt #: 230 total cpu time spent up to now is 428.3 secs Computing kpt #: 231 total cpu time spent up to now is 430.1 secs Computing kpt #: 232 total cpu time spent up to now is 431.9 secs Computing kpt #: 233 total cpu time spent up to now is 433.7 secs Computing kpt #: 234 total cpu time spent up to now is 435.5 secs Computing kpt #: 235 total cpu time spent up to now is 437.3 secs Computing kpt #: 236 total cpu time spent up to now is 439.1 secs Computing kpt #: 237 total cpu time spent up to now is 440.9 secs Computing kpt #: 238 total cpu time spent up to now is 442.7 secs Computing kpt #: 239 total cpu time spent up to now is 444.5 secs Computing kpt #: 240 total cpu time spent up to now is 446.4 secs Computing kpt #: 241 total cpu time spent up to now is 448.2 secs Computing kpt #: 242 total cpu time spent up to now is 450.0 secs Computing kpt #: 243 total cpu time spent up to now is 451.9 secs Computing kpt #: 244 total cpu time spent up to now is 455.2 secs Computing kpt #: 245 total cpu time spent up to now is 458.0 secs Computing kpt #: 246 total cpu time spent up to now is 460.4 secs Computing kpt #: 247 total cpu time spent up to now is 462.8 secs Computing kpt #: 248 total cpu time spent up to now is 465.1 secs Computing kpt #: 249 total cpu time spent up to now is 467.5 secs Computing kpt #: 250 total cpu time spent up to now is 469.8 secs Computing kpt #: 251 total cpu time spent up to now is 472.1 secs Computing kpt #: 252 total cpu time spent up to now is 474.1 secs Computing kpt #: 253 total cpu time spent up to now is 476.0 secs Computing kpt #: 254 total cpu time spent up to now is 478.0 secs Computing kpt #: 255 total cpu time spent up to now is 479.9 secs Computing kpt #: 256 total cpu time spent up to now is 481.8 secs Computing kpt #: 257 total cpu time spent up to now is 483.7 secs Computing kpt #: 258 total cpu time spent up to now is 485.5 secs Computing kpt #: 259 total cpu time spent up to now is 487.4 secs Computing kpt #: 260 total cpu time spent up to now is 489.2 secs Computing kpt #: 261 total cpu time spent up to now is 491.1 secs Computing kpt #: 262 total cpu time spent up to now is 493.1 secs Computing kpt #: 263 total cpu time spent up to now is 495.0 secs Computing kpt #: 264 total cpu time spent up to now is 496.8 secs Computing kpt #: 265 total cpu time spent up to now is 498.6 secs Computing kpt #: 266 total cpu time spent up to now is 500.5 secs Computing kpt #: 267 total cpu time spent up to now is 502.3 secs Computing kpt #: 268 total cpu time spent up to now is 504.1 secs Computing kpt #: 269 total cpu time spent up to now is 505.9 secs Computing kpt #: 270 total cpu time spent up to now is 507.7 secs Computing kpt #: 271 total cpu time spent up to now is 509.4 secs Computing kpt #: 272 total cpu time spent up to now is 511.2 secs Computing kpt #: 273 total cpu time spent up to now is 513.0 secs Computing kpt #: 274 total cpu time spent up to now is 514.7 secs Computing kpt #: 275 total cpu time spent up to now is 516.3 secs Computing kpt #: 276 total cpu time spent up to now is 518.1 secs Computing kpt #: 277 total cpu time spent up to now is 519.9 secs Computing kpt #: 278 total cpu time spent up to now is 521.7 secs Computing kpt #: 279 total cpu time spent up to now is 523.5 secs Computing kpt #: 280 total cpu time spent up to now is 526.1 secs ethr = 1.56E-08, avg # of iterations = 28.3 total cpu time spent up to now is 526.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13523 PWs) bands (ev): -28.6899 -28.6899 -28.6874 -28.6874 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3753 -12.3753 -12.3743 -12.3743 -12.3500 -12.3500 -12.1282 -12.1282 -12.1203 -12.1203 -12.1185 -12.1185 -12.1095 -12.1095 -12.0971 -12.0971 -12.0937 -12.0937 -12.0862 -12.0862 -12.0700 -12.0700 -5.4568 -5.4568 -4.7714 -4.7714 -4.4746 -4.4746 -4.2178 -4.2178 -2.0438 -2.0438 -2.0266 -2.0266 -1.5478 -1.5478 -1.4626 -1.4626 -1.4525 -1.4525 -1.3449 -1.3449 -1.2943 -1.2943 -1.0478 -1.0478 -1.0085 -1.0085 -0.9748 -0.9748 -0.9522 -0.9522 -0.8497 -0.8497 4.4505 4.4505 4.8870 4.8870 4.9726 4.9726 5.1019 5.1019 5.1081 5.1081 5.1707 5.1707 k = 0.0185-0.0000-0.0000 ( 13517 PWs) bands (ev): -28.6899 -28.6899 -28.6874 -28.6874 -28.6869 -28.6869 -28.6863 -28.6863 -12.3775 -12.3775 -12.3752 -12.3752 -12.3743 -12.3743 -12.3501 -12.3501 -12.1282 -12.1282 -12.1204 -12.1204 -12.1184 -12.1184 -12.1095 -12.1095 -12.0971 -12.0971 -12.0937 -12.0937 -12.0862 -12.0862 -12.0700 -12.0700 -5.4558 -5.4558 -4.7710 -4.7710 -4.4749 -4.4749 -4.2182 -4.2182 -2.0432 -2.0432 -2.0265 -2.0265 -1.5511 -1.5511 -1.4625 -1.4625 -1.4520 -1.4520 -1.3467 -1.3467 -1.2937 -1.2937 -1.0470 -1.0470 -1.0090 -1.0090 -0.9768 -0.9768 -0.9499 -0.9499 -0.8502 -0.8502 4.4524 4.4524 4.8906 4.8906 4.9730 4.9730 5.0795 5.0795 5.1084 5.1084 5.1915 5.1915 k = 0.0370-0.0000-0.0000 ( 13523 PWs) bands (ev): -28.6899 -28.6899 -28.6874 -28.6874 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3752 -12.3752 -12.3743 -12.3743 -12.3502 -12.3502 -12.1281 -12.1281 -12.1205 -12.1205 -12.1183 -12.1183 -12.1095 -12.1095 -12.0971 -12.0971 -12.0938 -12.0938 -12.0862 -12.0862 -12.0700 -12.0700 -5.4528 -5.4528 -4.7696 -4.7696 -4.4758 -4.4758 -4.2195 -4.2195 -2.0412 -2.0412 -2.0265 -2.0265 -1.5608 -1.5608 -1.4621 -1.4621 -1.4505 -1.4505 -1.3517 -1.3517 -1.2920 -1.2920 -1.0448 -1.0448 -1.0108 -1.0108 -0.9829 -0.9829 -0.9432 -0.9432 -0.8517 -0.8517 4.4580 4.4580 4.9016 4.9016 4.9741 4.9741 5.0393 5.0393 5.1095 5.1095 5.2267 5.2267 k = 0.0556-0.0000-0.0000 ( 13518 PWs) bands (ev): -28.6898 -28.6898 -28.6875 -28.6875 -28.6869 -28.6869 -28.6863 -28.6863 -12.3775 -12.3775 -12.3752 -12.3752 -12.3743 -12.3743 -12.3503 -12.3503 -12.1281 -12.1281 -12.1208 -12.1208 -12.1180 -12.1180 -12.1095 -12.1095 -12.0971 -12.0971 -12.0940 -12.0940 -12.0861 -12.0861 -12.0701 -12.0701 -5.4477 -5.4477 -4.7674 -4.7674 -4.4773 -4.4773 -4.2216 -4.2216 -2.0380 -2.0380 -2.0263 -2.0263 -1.5761 -1.5761 -1.4615 -1.4615 -1.4481 -1.4481 -1.3599 -1.3599 -1.2891 -1.2891 -1.0412 -1.0412 -1.0139 -1.0139 -0.9930 -0.9930 -0.9326 -0.9326 -0.8541 -0.8541 4.4675 4.4675 4.9196 4.9196 4.9760 4.9760 4.9968 4.9968 5.1114 5.1114 5.2615 5.2615 k = 0.0741-0.0000-0.0000 ( 13528 PWs) bands (ev): -28.6898 -28.6898 -28.6875 -28.6875 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3752 -12.3752 -12.3743 -12.3743 -12.3505 -12.3505 -12.1280 -12.1280 -12.1210 -12.1210 -12.1178 -12.1178 -12.1095 -12.1095 -12.0972 -12.0972 -12.0943 -12.0943 -12.0861 -12.0861 -12.0702 -12.0702 -5.4406 -5.4406 -4.7643 -4.7643 -4.4794 -4.4794 -4.2246 -4.2246 -2.0335 -2.0335 -2.0261 -2.0261 -1.5959 -1.5959 -1.4605 -1.4605 -1.4450 -1.4450 -1.3709 -1.3709 -1.2852 -1.2852 -1.0369 -1.0369 -1.0185 -1.0185 -1.0066 -1.0066 -0.9190 -0.9190 -0.8576 -0.8576 4.4809 4.4809 4.9443 4.9443 4.9552 4.9552 4.9785 4.9785 5.1144 5.1144 5.2932 5.2932 k = 0.0926-0.0000-0.0000 ( 13564 PWs) bands (ev): -28.6898 -28.6898 -28.6875 -28.6875 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3752 -12.3752 -12.3743 -12.3743 -12.3508 -12.3508 -12.1279 -12.1279 -12.1213 -12.1213 -12.1175 -12.1175 -12.1095 -12.1095 -12.0972 -12.0972 -12.0947 -12.0947 -12.0861 -12.0861 -12.0704 -12.0704 -5.4315 -5.4315 -4.7603 -4.7603 -4.4822 -4.4822 -4.2284 -4.2284 -2.0278 -2.0278 -2.0259 -2.0259 -1.6192 -1.6192 -1.4590 -1.4590 -1.4412 -1.4412 -1.3842 -1.3842 -1.2802 -1.2802 -1.0319 -1.0319 -1.0283 -1.0283 -1.0202 -1.0202 -0.9034 -0.9034 -0.8621 -0.8621 4.4983 4.4983 4.9160 4.9160 4.9750 4.9750 4.9816 4.9816 5.1189 5.1189 5.3217 5.3217 k = 0.1111-0.0000-0.0000 ( 13578 PWs) bands (ev): -28.6898 -28.6898 -28.6875 -28.6875 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3751 -12.3751 -12.3742 -12.3742 -12.3511 -12.3511 -12.1278 -12.1278 -12.1216 -12.1216 -12.1173 -12.1173 -12.1095 -12.1095 -12.0973 -12.0973 -12.0952 -12.0952 -12.0860 -12.0860 -12.0705 -12.0705 -5.4205 -5.4205 -4.7554 -4.7554 -4.4858 -4.4858 -4.2331 -4.2331 -2.0256 -2.0256 -2.0209 -2.0209 -1.6449 -1.6449 -1.4571 -1.4571 -1.4368 -1.4368 -1.3993 -1.3993 -1.2741 -1.2741 -1.0480 -1.0480 -1.0284 -1.0284 -1.0268 -1.0268 -0.8866 -0.8866 -0.8674 -0.8674 4.5198 4.5198 4.8801 4.8801 4.9848 4.9848 5.0106 5.0106 5.1262 5.1262 5.3473 5.3473 k = 0.1296-0.0000-0.0000 ( 13570 PWs) bands (ev): -28.6898 -28.6898 -28.6876 -28.6876 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3751 -12.3751 -12.3742 -12.3742 -12.3515 -12.3515 -12.1277 -12.1277 -12.1218 -12.1218 -12.1171 -12.1171 -12.1095 -12.1095 -12.0974 -12.0974 -12.0957 -12.0957 -12.0859 -12.0859 -12.0707 -12.0707 -5.4075 -5.4075 -4.7496 -4.7496 -4.4903 -4.4903 -4.2386 -4.2386 -2.0253 -2.0253 -2.0129 -2.0129 -1.6721 -1.6721 -1.4544 -1.4544 -1.4317 -1.4317 -1.4159 -1.4159 -1.2672 -1.2672 -1.0723 -1.0723 -1.0366 -1.0366 -1.0219 -1.0219 -0.8740 -0.8740 -0.8690 -0.8690 4.5455 4.5455 4.8479 4.8479 4.9886 4.9886 5.0475 5.0475 5.1391 5.1391 5.3704 5.3704 k = 0.1481-0.0000-0.0000 ( 13568 PWs) bands (ev): -28.6897 -28.6897 -28.6876 -28.6876 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3751 -12.3751 -12.3740 -12.3740 -12.3520 -12.3520 -12.1275 -12.1275 -12.1220 -12.1220 -12.1169 -12.1169 -12.1095 -12.1095 -12.0976 -12.0976 -12.0962 -12.0962 -12.0858 -12.0858 -12.0710 -12.0710 -5.3927 -5.3927 -4.7430 -4.7430 -4.4957 -4.4957 -4.2449 -4.2449 -2.0249 -2.0249 -2.0039 -2.0039 -1.6999 -1.6999 -1.4512 -1.4512 -1.4335 -1.4335 -1.4259 -1.4259 -1.2595 -1.2595 -1.0995 -1.0995 -1.0458 -1.0458 -1.0174 -1.0174 -0.8808 -0.8808 -0.8525 -0.8525 4.5756 4.5756 4.8198 4.8198 4.9927 4.9927 5.0792 5.0792 5.1639 5.1639 5.3916 5.3916 k = 0.1667-0.0000-0.0000 ( 13562 PWs) bands (ev): -28.6897 -28.6897 -28.6876 -28.6876 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3752 -12.3752 -12.3739 -12.3739 -12.3524 -12.3524 -12.1273 -12.1273 -12.1223 -12.1223 -12.1167 -12.1167 -12.1094 -12.1094 -12.0978 -12.0978 -12.0967 -12.0967 -12.0856 -12.0856 -12.0712 -12.0712 -5.3760 -5.3760 -4.7356 -4.7356 -4.5022 -4.5022 -4.2521 -4.2521 -2.0244 -2.0244 -1.9939 -1.9939 -1.7277 -1.7277 -1.4532 -1.4532 -1.4457 -1.4457 -1.4194 -1.4194 -1.2514 -1.2514 -1.1291 -1.1291 -1.0563 -1.0563 -1.0135 -1.0135 -0.8886 -0.8886 -0.8366 -0.8366 4.6101 4.6101 4.7963 4.7963 4.9971 4.9971 5.1000 5.1000 5.2058 5.2058 5.4110 5.4110 k = 0.1852-0.0000-0.0000 ( 13560 PWs) bands (ev): -28.6897 -28.6897 -28.6876 -28.6876 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3752 -12.3752 -12.3737 -12.3737 -12.3530 -12.3530 -12.1270 -12.1270 -12.1225 -12.1225 -12.1165 -12.1165 -12.1094 -12.1094 -12.0982 -12.0982 -12.0972 -12.0972 -12.0855 -12.0855 -12.0715 -12.0715 -5.3576 -5.3576 -4.7273 -4.7273 -4.5098 -4.5098 -4.2601 -4.2601 -2.0239 -2.0239 -1.9832 -1.9832 -1.7548 -1.7548 -1.4714 -1.4714 -1.4411 -1.4411 -1.4123 -1.4123 -1.2439 -1.2439 -1.1599 -1.1599 -1.0681 -1.0681 -1.0106 -1.0106 -0.8970 -0.8970 -0.8220 -0.8220 4.6491 4.6491 4.7774 4.7774 5.0019 5.0019 5.1132 5.1132 5.2609 5.2609 5.4289 5.4289 k = 0.2037-0.0000-0.0000 ( 13564 PWs) bands (ev): -28.6896 -28.6896 -28.6877 -28.6877 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3753 -12.3753 -12.3735 -12.3735 -12.3536 -12.3536 -12.1268 -12.1268 -12.1227 -12.1227 -12.1165 -12.1165 -12.1093 -12.1093 -12.0988 -12.0988 -12.0975 -12.0975 -12.0853 -12.0853 -12.0718 -12.0718 -5.3374 -5.3374 -4.7183 -4.7183 -4.5187 -4.5187 -4.2689 -4.2689 -2.0232 -2.0232 -1.9718 -1.9718 -1.7806 -1.7806 -1.4902 -1.4902 -1.4351 -1.4351 -1.4045 -1.4045 -1.2402 -1.2402 -1.1882 -1.1882 -1.0810 -1.0810 -1.0088 -1.0088 -0.9058 -0.9058 -0.8091 -0.8091 4.6925 4.6925 4.7632 4.7632 5.0073 5.0073 5.1236 5.1236 5.3237 5.3237 5.4453 5.4453 k = 0.2222-0.0000-0.0000 ( 13554 PWs) bands (ev): -28.6896 -28.6896 -28.6877 -28.6877 -28.6868 -28.6868 -28.6864 -28.6864 -12.3775 -12.3775 -12.3753 -12.3753 -12.3732 -12.3732 -12.3542 -12.3542 -12.1265 -12.1265 -12.1228 -12.1228 -12.1164 -12.1164 -12.1091 -12.1091 -12.0995 -12.0995 -12.0977 -12.0977 -12.0851 -12.0851 -12.0721 -12.0721 -5.3157 -5.3157 -4.7085 -4.7085 -4.5290 -4.5290 -4.2785 -4.2785 -2.0222 -2.0222 -1.9599 -1.9599 -1.8047 -1.8047 -1.5087 -1.5087 -1.4281 -1.4281 -1.3961 -1.3961 -1.2531 -1.2531 -1.2013 -1.2013 -1.0951 -1.0951 -1.0081 -1.0081 -0.9150 -0.9150 -0.7982 -0.7982 4.7404 4.7404 4.7538 4.7538 5.0135 5.0135 5.1329 5.1329 5.3915 5.3915 5.4601 5.4601 k = 0.2407-0.0000-0.0000 ( 13548 PWs) bands (ev): -28.6895 -28.6895 -28.6878 -28.6878 -28.6868 -28.6868 -28.6864 -28.6864 -12.3775 -12.3775 -12.3754 -12.3754 -12.3729 -12.3729 -12.3548 -12.3548 -12.1262 -12.1262 -12.1230 -12.1230 -12.1164 -12.1164 -12.1089 -12.1089 -12.1003 -12.1003 -12.0980 -12.0980 -12.0849 -12.0849 -12.0725 -12.0725 -5.2924 -5.2924 -4.6979 -4.6979 -4.5407 -4.5407 -4.2889 -4.2889 -2.0210 -2.0210 -1.9479 -1.9479 -1.8266 -1.8266 -1.5265 -1.5265 -1.4203 -1.4203 -1.3870 -1.3870 -1.2842 -1.2842 -1.1974 -1.1974 -1.1101 -1.1101 -1.0087 -1.0087 -0.9242 -0.9242 -0.7895 -0.7895 4.7492 4.7492 4.7927 4.7927 5.0207 5.0207 5.1419 5.1419 5.4621 5.4621 5.4734 5.4734 k = 0.2593-0.0000-0.0000 ( 13544 PWs) bands (ev): -28.6894 -28.6894 -28.6878 -28.6878 -28.6868 -28.6868 -28.6864 -28.6864 -12.3775 -12.3775 -12.3755 -12.3755 -12.3726 -12.3726 -12.3555 -12.3555 -12.1259 -12.1259 -12.1231 -12.1231 -12.1165 -12.1165 -12.1087 -12.1087 -12.1011 -12.1011 -12.0982 -12.0982 -12.0846 -12.0846 -12.0728 -12.0728 -5.2676 -5.2676 -4.6867 -4.6867 -4.5540 -4.5540 -4.3000 -4.3000 -2.0194 -2.0194 -1.9361 -1.9361 -1.8461 -1.8461 -1.5431 -1.5431 -1.4118 -1.4118 -1.3774 -1.3774 -1.3214 -1.3214 -1.1885 -1.1885 -1.1259 -1.1259 -1.0106 -1.0106 -0.9332 -0.9332 -0.7829 -0.7829 4.7493 4.7493 4.8493 4.8493 5.0294 5.0294 5.1508 5.1508 5.4850 5.4850 5.5336 5.5336 k = 0.2778-0.0000-0.0000 ( 13550 PWs) bands (ev): -28.6894 -28.6894 -28.6879 -28.6879 -28.6868 -28.6868 -28.6864 -28.6864 -12.3775 -12.3775 -12.3756 -12.3756 -12.3722 -12.3722 -12.3562 -12.3562 -12.1255 -12.1255 -12.1232 -12.1232 -12.1165 -12.1165 -12.1085 -12.1085 -12.1019 -12.1019 -12.0985 -12.0985 -12.0843 -12.0843 -12.0732 -12.0732 -5.2415 -5.2415 -4.6747 -4.6747 -4.5689 -4.5689 -4.3119 -4.3119 -2.0174 -2.0174 -1.9248 -1.9248 -1.8626 -1.8626 -1.5580 -1.5580 -1.4030 -1.4030 -1.3678 -1.3678 -1.3600 -1.3600 -1.1787 -1.1787 -1.1422 -1.1422 -1.0139 -1.0139 -0.9417 -0.9417 -0.7787 -0.7787 4.7540 4.7540 4.9100 4.9100 5.0398 5.0398 5.1595 5.1595 5.4951 5.4951 5.6023 5.6023 k = 0.2963-0.0000-0.0000 ( 13566 PWs) bands (ev): -28.6893 -28.6893 -28.6879 -28.6879 -28.6868 -28.6868 -28.6865 -28.6865 -12.3774 -12.3774 -12.3757 -12.3757 -12.3718 -12.3718 -12.3570 -12.3570 -12.1252 -12.1252 -12.1232 -12.1232 -12.1166 -12.1166 -12.1084 -12.1084 -12.1027 -12.1027 -12.0987 -12.0987 -12.0840 -12.0840 -12.0736 -12.0736 -5.2141 -5.2141 -4.6621 -4.6621 -4.5854 -4.5854 -4.3245 -4.3245 -2.0149 -2.0149 -1.9145 -1.9145 -1.8761 -1.8761 -1.5707 -1.5707 -1.4013 -1.4013 -1.3941 -1.3941 -1.3561 -1.3561 -1.1692 -1.1692 -1.1584 -1.1584 -1.0186 -1.0186 -0.9491 -0.9491 -0.7768 -0.7768 4.7630 4.7630 4.9747 4.9747 5.0523 5.0523 5.1678 5.1678 5.5038 5.5038 5.6611 5.6611 k = 0.3148-0.0000-0.0000 ( 13558 PWs) bands (ev): -28.6893 -28.6893 -28.6880 -28.6880 -28.6868 -28.6868 -28.6865 -28.6865 -12.3774 -12.3774 -12.3758 -12.3758 -12.3714 -12.3714 -12.3577 -12.3577 -12.1248 -12.1248 -12.1233 -12.1233 -12.1167 -12.1167 -12.1082 -12.1082 -12.1035 -12.1035 -12.0990 -12.0990 -12.0836 -12.0836 -12.0741 -12.0741 -5.1856 -5.1856 -4.6489 -4.6489 -4.6036 -4.6036 -4.3377 -4.3377 -2.0118 -2.0118 -1.9058 -1.9058 -1.8863 -1.8863 -1.5806 -1.5806 -1.4419 -1.4419 -1.3860 -1.3860 -1.3448 -1.3448 -1.1741 -1.1741 -1.1609 -1.1609 -1.0246 -1.0246 -0.9550 -0.9550 -0.7771 -0.7771 4.7763 4.7763 5.0430 5.0430 5.0673 5.0673 5.1752 5.1752 5.5110 5.5110 5.6963 5.6963 k = 0.3333-0.0000-0.0000 ( 13546 PWs) bands (ev): -28.6892 -28.6892 -28.6880 -28.6880 -28.6867 -28.6867 -28.6865 -28.6865 -12.3774 -12.3774 -12.3759 -12.3759 -12.3709 -12.3709 -12.3585 -12.3585 -12.1244 -12.1244 -12.1233 -12.1233 -12.1167 -12.1167 -12.1082 -12.1082 -12.1041 -12.1041 -12.0993 -12.0993 -12.0832 -12.0832 -12.0745 -12.0745 -5.1560 -5.1560 -4.6351 -4.6351 -4.6236 -4.6236 -4.3515 -4.3515 -2.0081 -2.0081 -1.8993 -1.8993 -1.8930 -1.8930 -1.5871 -1.5871 -1.4825 -1.4825 -1.3794 -1.3794 -1.3329 -1.3329 -1.1882 -1.1882 -1.1546 -1.1546 -1.0320 -1.0320 -0.9586 -0.9586 -0.7796 -0.7796 4.7935 4.7935 5.0850 5.0850 5.1148 5.1148 5.1811 5.1811 5.5169 5.5169 5.6985 5.6985 k = 0.3519-0.0000-0.0000 ( 13546 PWs) bands (ev): -28.6892 -28.6892 -28.6881 -28.6881 -28.6867 -28.6867 -28.6865 -28.6865 -12.3773 -12.3773 -12.3760 -12.3760 -12.3705 -12.3705 -12.3593 -12.3593 -12.1241 -12.1241 -12.1233 -12.1233 -12.1168 -12.1168 -12.1084 -12.1084 -12.1045 -12.1045 -12.0996 -12.0996 -12.0828 -12.0828 -12.0750 -12.0750 -5.1256 -5.1256 -4.6451 -4.6451 -4.6208 -4.6208 -4.3658 -4.3658 -2.0036 -2.0036 -1.8967 -1.8967 -1.8947 -1.8947 -1.5896 -1.5896 -1.5228 -1.5228 -1.3756 -1.3756 -1.3206 -1.3206 -1.1995 -1.1995 -1.1509 -1.1509 -1.0408 -1.0408 -0.9594 -0.9594 -0.7843 -0.7843 4.8144 4.8144 5.1059 5.1059 5.1848 5.1848 5.1895 5.1895 5.5216 5.5216 5.6794 5.6794 k = 0.3704-0.0000-0.0000 ( 13566 PWs) bands (ev): -28.6891 -28.6891 -28.6882 -28.6882 -28.6867 -28.6867 -28.6865 -28.6865 -12.3773 -12.3773 -12.3761 -12.3761 -12.3699 -12.3699 -12.3601 -12.3601 -12.1238 -12.1238 -12.1232 -12.1232 -12.1168 -12.1168 -12.1089 -12.1089 -12.1046 -12.1046 -12.1000 -12.1000 -12.0824 -12.0824 -12.0755 -12.0755 -5.0944 -5.0944 -4.6684 -4.6684 -4.6060 -4.6060 -4.3807 -4.3807 -1.9984 -1.9984 -1.8962 -1.8962 -1.8937 -1.8937 -1.5880 -1.5880 -1.5624 -1.5624 -1.3760 -1.3760 -1.3079 -1.3079 -1.2066 -1.2066 -1.1503 -1.1503 -1.0508 -1.0508 -0.9570 -0.9570 -0.7908 -0.7908 4.8386 4.8386 5.1302 5.1302 5.1857 5.1857 5.2663 5.2663 5.5252 5.5252 5.6527 5.6527 k = 0.3889-0.0000-0.0000 ( 13558 PWs) bands (ev): -28.6890 -28.6890 -28.6882 -28.6882 -28.6867 -28.6867 -28.6865 -28.6865 -12.3773 -12.3773 -12.3762 -12.3762 -12.3694 -12.3694 -12.3609 -12.3609 -12.1235 -12.1235 -12.1232 -12.1232 -12.1167 -12.1167 -12.1095 -12.1095 -12.1046 -12.1046 -12.1003 -12.1003 -12.0820 -12.0820 -12.0760 -12.0760 -5.0626 -5.0626 -4.6931 -4.6931 -4.5908 -4.5908 -4.3959 -4.3959 -1.9925 -1.9925 -1.8958 -1.8958 -1.8918 -1.8918 -1.6009 -1.6009 -1.5821 -1.5821 -1.3814 -1.3814 -1.2948 -1.2948 -1.2086 -1.2086 -1.1529 -1.1529 -1.0619 -1.0619 -0.9513 -0.9513 -0.7992 -0.7992 4.8657 4.8657 5.1580 5.1580 5.1827 5.1827 5.3443 5.3443 5.5278 5.5278 5.6253 5.6253 k = 0.4074-0.0000-0.0000 ( 13552 PWs) bands (ev): -28.6890 -28.6890 -28.6883 -28.6883 -28.6867 -28.6867 -28.6865 -28.6865 -12.3772 -12.3772 -12.3763 -12.3763 -12.3688 -12.3688 -12.3616 -12.3616 -12.1233 -12.1233 -12.1230 -12.1230 -12.1165 -12.1165 -12.1103 -12.1103 -12.1044 -12.1044 -12.1007 -12.1007 -12.0815 -12.0815 -12.0765 -12.0765 -5.0303 -5.0303 -4.7194 -4.7194 -4.5752 -4.5752 -4.4116 -4.4116 -1.9857 -1.9857 -1.8999 -1.8999 -1.8843 -1.8843 -1.6382 -1.6382 -1.5724 -1.5724 -1.3919 -1.3919 -1.2814 -1.2814 -1.2054 -1.2054 -1.1584 -1.1584 -1.0741 -1.0741 -0.9427 -0.9427 -0.8091 -0.8091 4.8954 4.8954 5.1748 5.1748 5.1897 5.1897 5.4212 5.4212 5.5297 5.5297 5.6003 5.6003 k = 0.4259-0.0000-0.0000 ( 13566 PWs) bands (ev): -28.6889 -28.6889 -28.6883 -28.6883 -28.6867 -28.6867 -28.6865 -28.6865 -12.3771 -12.3771 -12.3764 -12.3764 -12.3682 -12.3682 -12.3624 -12.3624 -12.1232 -12.1232 -12.1229 -12.1229 -12.1163 -12.1163 -12.1111 -12.1111 -12.1041 -12.1041 -12.1010 -12.1010 -12.0810 -12.0810 -12.0770 -12.0770 -4.9978 -4.9978 -4.7470 -4.7470 -4.5593 -4.5593 -4.4276 -4.4276 -1.9782 -1.9782 -1.9062 -1.9062 -1.8732 -1.8732 -1.6739 -1.6739 -1.5593 -1.5593 -1.4067 -1.4067 -1.2678 -1.2678 -1.1979 -1.1979 -1.1663 -1.1663 -1.0873 -1.0873 -0.9317 -0.9317 -0.8205 -0.8205 4.9270 4.9270 5.1617 5.1617 5.2250 5.2250 5.4893 5.4893 5.5311 5.5311 5.5794 5.5794 k = 0.4444-0.0000-0.0000 ( 13578 PWs) bands (ev): -28.6888 -28.6888 -28.6884 -28.6884 -28.6866 -28.6866 -28.6866 -28.6866 -12.3771 -12.3771 -12.3766 -12.3766 -12.3676 -12.3676 -12.3632 -12.3632 -12.1231 -12.1231 -12.1228 -12.1228 -12.1159 -12.1159 -12.1119 -12.1119 -12.1037 -12.1037 -12.1014 -12.1014 -12.0806 -12.0806 -12.0775 -12.0775 -4.9651 -4.9651 -4.7758 -4.7758 -4.5431 -4.5431 -4.4439 -4.4439 -1.9701 -1.9701 -1.9141 -1.9141 -1.8586 -1.8586 -1.7077 -1.7077 -1.5435 -1.5435 -1.4244 -1.4244 -1.2540 -1.2540 -1.1874 -1.1874 -1.1761 -1.1761 -1.1012 -1.1012 -0.9190 -0.9190 -0.8331 -0.8331 4.9601 4.9601 5.1431 5.1431 5.2642 5.2642 5.5226 5.5226 5.5321 5.5321 5.5631 5.5631 k = 0.4630-0.0000-0.0000 ( 13576 PWs) bands (ev): -28.6888 -28.6888 -28.6885 -28.6885 -28.6866 -28.6866 -28.6866 -28.6866 -12.3770 -12.3770 -12.3766 -12.3766 -12.3669 -12.3669 -12.3640 -12.3640 -12.1230 -12.1230 -12.1228 -12.1228 -12.1154 -12.1154 -12.1127 -12.1127 -12.1034 -12.1034 -12.1018 -12.1018 -12.0801 -12.0801 -12.0780 -12.0780 -4.9324 -4.9324 -4.8056 -4.8056 -4.5267 -4.5267 -4.4603 -4.4603 -1.9613 -1.9613 -1.9231 -1.9231 -1.8407 -1.8407 -1.7394 -1.7394 -1.5255 -1.5255 -1.4440 -1.4440 -1.2402 -1.2402 -1.1878 -1.1878 -1.1742 -1.1742 -1.1157 -1.1157 -0.9051 -0.9051 -0.8467 -0.8467 4.9940 4.9940 5.1195 5.1195 5.3071 5.3071 5.4996 5.4996 5.5333 5.5333 5.5512 5.5512 k = 0.4815-0.0000-0.0000 ( 13586 PWs) bands (ev): -28.6887 -28.6887 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3662 -12.3662 -12.3648 -12.3648 -12.1229 -12.1229 -12.1228 -12.1228 -12.1149 -12.1149 -12.1135 -12.1135 -12.1030 -12.1030 -12.1022 -12.1022 -12.0796 -12.0796 -12.0785 -12.0785 -4.9000 -4.9000 -4.8364 -4.8364 -4.5101 -4.5101 -4.4769 -4.4769 -1.9520 -1.9520 -1.9326 -1.9326 -1.8197 -1.8197 -1.7688 -1.7688 -1.5060 -1.5060 -1.4647 -1.4647 -1.2265 -1.2265 -1.2000 -1.2000 -1.1603 -1.1603 -1.1306 -1.1306 -0.8905 -0.8905 -0.8610 -0.8610 5.0278 5.0278 5.0916 5.0916 5.3535 5.3535 5.4532 5.4532 5.5351 5.5351 5.5432 5.5432 k = 0.5000-0.0000-0.0000 ( 13584 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3768 -12.3768 -12.3655 -12.3655 -12.3655 -12.3655 -12.1229 -12.1229 -12.1229 -12.1229 -12.1142 -12.1142 -12.1142 -12.1142 -12.1026 -12.1026 -12.1026 -12.1026 -12.0790 -12.0790 -12.0790 -12.0790 -4.8679 -4.8679 -4.8679 -4.8679 -4.4935 -4.4935 -4.4935 -4.4935 -1.9423 -1.9423 -1.9423 -1.9423 -1.7956 -1.7956 -1.7956 -1.7956 -1.4855 -1.4855 -1.4855 -1.4855 -1.2131 -1.2131 -1.2131 -1.2131 -1.1455 -1.1455 -1.1455 -1.1455 -0.8757 -0.8757 -0.8757 -0.8757 5.0607 5.0607 5.0607 5.0607 5.4027 5.4027 5.4027 5.4027 5.5381 5.5381 5.5381 5.5381 k = 0.5000-0.0000-0.0000 ( 13584 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3768 -12.3768 -12.3655 -12.3655 -12.3655 -12.3655 -12.1229 -12.1229 -12.1229 -12.1229 -12.1142 -12.1142 -12.1142 -12.1142 -12.1026 -12.1026 -12.1026 -12.1026 -12.0790 -12.0790 -12.0790 -12.0790 -4.8679 -4.8679 -4.8679 -4.8679 -4.4935 -4.4935 -4.4935 -4.4935 -1.9423 -1.9423 -1.9423 -1.9423 -1.7956 -1.7956 -1.7956 -1.7956 -1.4855 -1.4855 -1.4855 -1.4855 -1.2131 -1.2131 -1.2131 -1.2131 -1.1455 -1.1455 -1.1455 -1.1455 -0.8757 -0.8757 -0.8757 -0.8757 5.0607 5.0607 5.0607 5.0607 5.4027 5.4027 5.4027 5.4027 5.5381 5.5381 5.5381 5.5381 k = 0.5000 0.0180-0.0000 ( 13584 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3768 -12.3768 -12.3655 -12.3655 -12.3655 -12.3655 -12.1233 -12.1233 -12.1224 -12.1224 -12.1144 -12.1144 -12.1141 -12.1141 -12.1029 -12.1029 -12.1023 -12.1023 -12.0790 -12.0790 -12.0790 -12.0790 -4.8675 -4.8675 -4.8675 -4.8675 -4.4935 -4.4935 -4.4934 -4.4934 -1.9422 -1.9422 -1.9421 -1.9421 -1.8007 -1.8007 -1.8006 -1.8006 -1.4810 -1.4810 -1.4809 -1.4809 -1.2145 -1.2145 -1.2138 -1.2138 -1.1483 -1.1483 -1.1473 -1.1473 -0.8726 -0.8726 -0.8720 -0.8720 5.0621 5.0621 5.0622 5.0622 5.3855 5.3855 5.3861 5.3861 5.5543 5.5543 5.5551 5.5551 k = 0.5000 0.0361-0.0000 ( 13578 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3768 -12.3768 -12.3655 -12.3655 -12.3655 -12.3655 -12.1237 -12.1237 -12.1219 -12.1219 -12.1145 -12.1145 -12.1140 -12.1140 -12.1032 -12.1032 -12.1021 -12.1021 -12.0790 -12.0790 -12.0789 -12.0789 -4.8664 -4.8664 -4.8664 -4.8664 -4.4932 -4.4932 -4.4931 -4.4931 -1.9420 -1.9420 -1.9418 -1.9418 -1.8144 -1.8144 -1.8142 -1.8142 -1.4687 -1.4687 -1.4683 -1.4683 -1.2185 -1.2185 -1.2169 -1.2169 -1.1545 -1.1545 -1.1525 -1.1525 -0.8634 -0.8634 -0.8623 -0.8623 5.0661 5.0661 5.0663 5.0663 5.3489 5.3489 5.3497 5.3497 5.5891 5.5891 5.5901 5.5901 k = 0.5000 0.0541-0.0000 ( 13578 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3768 -12.3768 -12.3656 -12.3656 -12.3656 -12.3656 -12.1241 -12.1241 -12.1214 -12.1214 -12.1147 -12.1147 -12.1139 -12.1139 -12.1036 -12.1036 -12.1020 -12.1020 -12.0789 -12.0789 -12.0788 -12.0788 -4.8645 -4.8645 -4.8645 -4.8645 -4.4928 -4.4928 -4.4926 -4.4926 -1.9422 -1.9422 -1.9419 -1.9419 -1.8341 -1.8341 -1.8338 -1.8338 -1.4511 -1.4511 -1.4504 -1.4504 -1.2256 -1.2256 -1.2231 -1.2231 -1.1620 -1.1620 -1.1591 -1.1591 -0.8492 -0.8492 -0.8477 -0.8477 5.0725 5.0725 5.0729 5.0729 5.3076 5.3076 5.3083 5.3083 5.6257 5.6257 5.6268 5.6268 k = 0.5000 0.0721-0.0000 ( 13586 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3768 -12.3768 -12.3657 -12.3657 -12.3657 -12.3657 -12.1244 -12.1244 -12.1210 -12.1210 -12.1150 -12.1150 -12.1139 -12.1139 -12.1040 -12.1040 -12.1018 -12.1018 -12.0788 -12.0788 -12.0786 -12.0786 -4.8620 -4.8620 -4.8620 -4.8620 -4.4923 -4.4923 -4.4920 -4.4920 -1.9443 -1.9443 -1.9439 -1.9439 -1.8558 -1.8558 -1.8554 -1.8554 -1.4316 -1.4316 -1.4304 -1.4304 -1.2362 -1.2362 -1.2329 -1.2329 -1.1678 -1.1678 -1.1644 -1.1644 -0.8316 -0.8316 -0.8298 -0.8298 5.0803 5.0803 5.0808 5.0808 5.2674 5.2674 5.2679 5.2679 5.6555 5.6555 5.6564 5.6564 k = 0.5000 0.0901-0.0000 ( 13576 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3768 -12.3768 -12.3658 -12.3658 -12.3657 -12.3657 -12.1248 -12.1248 -12.1205 -12.1205 -12.1152 -12.1152 -12.1138 -12.1138 -12.1044 -12.1044 -12.1018 -12.1018 -12.0786 -12.0786 -12.0784 -12.0784 -4.8587 -4.8587 -4.8587 -4.8587 -4.4916 -4.4916 -4.4912 -4.4912 -1.9514 -1.9514 -1.9509 -1.9509 -1.8744 -1.8744 -1.8739 -1.8739 -1.4133 -1.4133 -1.4115 -1.4115 -1.2497 -1.2497 -1.2457 -1.2457 -1.1698 -1.1698 -1.1663 -1.1663 -0.8118 -0.8118 -0.8098 -0.8098 5.0873 5.0873 5.0882 5.0882 5.2324 5.2324 5.2325 5.2325 5.6730 5.6730 5.6736 5.6736 k = 0.5000 0.1082-0.0000 ( 13568 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3768 -12.3768 -12.3659 -12.3659 -12.3659 -12.3659 -12.1250 -12.1250 -12.1200 -12.1200 -12.1155 -12.1155 -12.1138 -12.1138 -12.1047 -12.1047 -12.1017 -12.1017 -12.0784 -12.0784 -12.0781 -12.0781 -4.8549 -4.8549 -4.8549 -4.8549 -4.4907 -4.4907 -4.4903 -4.4903 -1.9671 -1.9671 -1.9667 -1.9667 -1.8850 -1.8850 -1.8842 -1.8842 -1.3996 -1.3996 -1.3970 -1.3970 -1.2643 -1.2643 -1.2596 -1.2596 -1.1672 -1.1672 -1.1638 -1.1638 -0.7907 -0.7907 -0.7887 -0.7887 5.0886 5.0886 5.0898 5.0898 5.2079 5.2079 5.2083 5.2083 5.6762 5.6762 5.6766 5.6766 k = 0.5000 0.1262-0.0000 ( 13566 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3660 -12.3660 -12.3660 -12.3660 -12.1253 -12.1253 -12.1196 -12.1196 -12.1157 -12.1157 -12.1139 -12.1139 -12.1051 -12.1051 -12.1017 -12.1017 -12.0781 -12.0781 -12.0778 -12.0778 -4.8505 -4.8505 -4.8505 -4.8505 -4.4898 -4.4898 -4.4893 -4.4893 -1.9911 -1.9911 -1.9907 -1.9907 -1.8870 -1.8870 -1.8861 -1.8861 -1.3936 -1.3936 -1.3901 -1.3901 -1.2773 -1.2773 -1.2720 -1.2720 -1.1594 -1.1594 -1.1564 -1.1564 -0.7693 -0.7693 -0.7672 -0.7672 5.0777 5.0777 5.0791 5.0791 5.2013 5.2013 5.2019 5.2019 5.6675 5.6675 5.6678 5.6678 k = 0.5000 0.1442-0.0000 ( 13554 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3661 -12.3661 -12.3661 -12.3661 -12.1255 -12.1255 -12.1192 -12.1192 -12.1160 -12.1160 -12.1139 -12.1139 -12.1055 -12.1055 -12.1018 -12.1018 -12.0778 -12.0778 -12.0775 -12.0775 -4.8457 -4.8457 -4.8456 -4.8456 -4.4888 -4.4888 -4.4883 -4.4883 -2.0193 -2.0193 -2.0189 -2.0189 -1.8836 -1.8836 -1.8826 -1.8826 -1.3968 -1.3968 -1.3929 -1.3929 -1.2870 -1.2870 -1.2816 -1.2816 -1.1464 -1.1464 -1.1438 -1.1438 -0.7481 -0.7481 -0.7460 -0.7460 5.0553 5.0553 5.0566 5.0566 5.2122 5.2122 5.2127 5.2127 5.6509 5.6509 5.6512 5.6512 k = 0.5000 0.1622-0.0000 ( 13544 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3662 -12.3662 -12.3662 -12.3662 -12.1256 -12.1256 -12.1189 -12.1189 -12.1163 -12.1163 -12.1139 -12.1139 -12.1058 -12.1058 -12.1019 -12.1019 -12.0776 -12.0776 -12.0773 -12.0773 -4.8404 -4.8404 -4.8404 -4.8404 -4.4877 -4.4877 -4.4872 -4.4872 -2.0490 -2.0490 -2.0487 -2.0487 -1.8771 -1.8771 -1.8760 -1.8760 -1.4084 -1.4084 -1.4045 -1.4045 -1.2937 -1.2937 -1.2888 -1.2888 -1.1288 -1.1288 -1.1267 -1.1267 -0.7275 -0.7275 -0.7254 -0.7254 5.0278 5.0278 5.0290 5.0290 5.2340 5.2340 5.2343 5.2343 5.6303 5.6303 5.6307 5.6307 k = 0.5000 0.1803-0.0000 ( 13544 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3664 -12.3664 -12.3664 -12.3664 -12.1257 -12.1257 -12.1186 -12.1186 -12.1165 -12.1165 -12.1140 -12.1140 -12.1061 -12.1061 -12.1020 -12.1020 -12.0773 -12.0773 -12.0770 -12.0770 -4.8349 -4.8349 -4.8349 -4.8349 -4.4866 -4.4866 -4.4861 -4.4861 -2.0788 -2.0788 -2.0785 -2.0785 -1.8686 -1.8686 -1.8673 -1.8673 -1.4256 -1.4256 -1.4221 -1.4221 -1.2991 -1.2991 -1.2949 -1.2949 -1.1077 -1.1077 -1.1060 -1.1060 -0.7078 -0.7078 -0.7057 -0.7057 4.9995 4.9995 5.0005 5.0005 5.2622 5.2622 5.2624 5.2624 5.6085 5.6085 5.6090 5.6090 k = 0.5000 0.1983-0.0000 ( 13532 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3666 -12.3666 -12.3665 -12.3665 -12.1258 -12.1258 -12.1186 -12.1186 -12.1166 -12.1166 -12.1140 -12.1140 -12.1063 -12.1063 -12.1021 -12.1021 -12.0770 -12.0770 -12.0766 -12.0766 -4.8292 -4.8292 -4.8291 -4.8291 -4.4856 -4.4856 -4.4850 -4.4850 -2.1078 -2.1078 -2.1075 -2.1075 -1.8585 -1.8585 -1.8572 -1.8572 -1.4460 -1.4460 -1.4431 -1.4431 -1.3046 -1.3046 -1.3011 -1.3011 -1.0847 -1.0847 -1.0833 -1.0833 -0.6893 -0.6893 -0.6873 -0.6873 4.9721 4.9721 4.9729 4.9729 5.2948 5.2948 5.2948 5.2948 5.5875 5.5875 5.5881 5.5881 k = 0.5000 0.2163-0.0000 ( 13560 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3667 -12.3667 -12.3667 -12.3667 -12.1258 -12.1258 -12.1188 -12.1188 -12.1165 -12.1165 -12.1142 -12.1142 -12.1065 -12.1065 -12.1023 -12.1023 -12.0767 -12.0767 -12.0764 -12.0764 -4.8234 -4.8234 -4.8234 -4.8234 -4.4846 -4.4846 -4.4840 -4.4840 -2.1355 -2.1355 -2.1352 -2.1352 -1.8472 -1.8472 -1.8458 -1.8458 -1.4682 -1.4682 -1.4657 -1.4657 -1.3105 -1.3105 -1.3076 -1.3076 -1.0609 -1.0609 -1.0598 -1.0598 -0.6721 -0.6721 -0.6702 -0.6702 4.9463 4.9463 4.9471 4.9471 5.3301 5.3301 5.3302 5.3302 5.5692 5.5692 5.5700 5.5700 k = 0.5000 0.2343-0.0000 ( 13564 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3669 -12.3669 -12.3669 -12.3669 -12.1258 -12.1258 -12.1191 -12.1191 -12.1164 -12.1164 -12.1142 -12.1142 -12.1066 -12.1066 -12.1025 -12.1025 -12.0764 -12.0764 -12.0761 -12.0761 -4.8177 -4.8177 -4.8176 -4.8176 -4.4836 -4.4836 -4.4830 -4.4830 -2.1614 -2.1614 -2.1611 -2.1611 -1.8348 -1.8348 -1.8334 -1.8334 -1.4911 -1.4911 -1.4890 -1.4890 -1.3168 -1.3168 -1.3144 -1.3144 -1.0373 -1.0373 -1.0364 -1.0364 -0.6564 -0.6564 -0.6546 -0.6546 4.9227 4.9227 4.9233 4.9233 5.3662 5.3662 5.3665 5.3665 5.5557 5.5557 5.5567 5.5567 k = 0.5000 0.2524-0.0000 ( 13560 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3670 -12.3670 -12.3670 -12.3670 -12.1257 -12.1257 -12.1196 -12.1196 -12.1162 -12.1162 -12.1143 -12.1143 -12.1066 -12.1066 -12.1028 -12.1028 -12.0762 -12.0762 -12.0759 -12.0759 -4.8121 -4.8121 -4.8120 -4.8120 -4.4827 -4.4827 -4.4822 -4.4822 -2.1853 -2.1853 -2.1851 -2.1851 -1.8214 -1.8214 -1.8200 -1.8200 -1.5141 -1.5141 -1.5125 -1.5125 -1.3234 -1.3234 -1.3213 -1.3213 -1.0146 -1.0146 -1.0138 -1.0138 -0.6424 -0.6424 -0.6407 -0.6407 4.9013 4.9013 4.9018 4.9018 5.3998 5.3998 5.4003 5.4003 5.5506 5.5506 5.5518 5.5518 k = 0.5000 0.2704-0.0000 ( 13576 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3672 -12.3672 -12.3672 -12.3672 -12.1256 -12.1256 -12.1200 -12.1200 -12.1160 -12.1160 -12.1144 -12.1144 -12.1066 -12.1066 -12.1030 -12.1030 -12.0759 -12.0759 -12.0756 -12.0756 -4.8068 -4.8068 -4.8067 -4.8067 -4.4819 -4.4819 -4.4814 -4.4814 -2.2070 -2.2070 -2.2067 -2.2067 -1.8071 -1.8071 -1.8057 -1.8057 -1.5371 -1.5371 -1.5358 -1.5358 -1.3298 -1.3298 -1.3281 -1.3281 -0.9935 -0.9935 -0.9928 -0.9928 -0.6300 -0.6300 -0.6285 -0.6285 4.8823 4.8823 4.8827 4.8827 5.4247 5.4247 5.4254 5.4254 5.5599 5.5599 5.5612 5.5612 k = 0.5000 0.2884-0.0000 ( 13570 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3673 -12.3673 -12.3673 -12.3673 -12.1254 -12.1254 -12.1205 -12.1205 -12.1158 -12.1158 -12.1145 -12.1145 -12.1065 -12.1065 -12.1033 -12.1033 -12.0757 -12.0757 -12.0754 -12.0754 -4.8019 -4.8019 -4.8019 -4.8019 -4.4812 -4.4812 -4.4808 -4.4808 -2.2261 -2.2261 -2.2259 -2.2259 -1.7920 -1.7920 -1.7907 -1.7907 -1.5597 -1.5597 -1.5588 -1.5588 -1.3360 -1.3360 -1.3346 -1.3346 -0.9743 -0.9743 -0.9737 -0.9737 -0.6192 -0.6192 -0.6179 -0.6179 4.8657 4.8657 4.8661 4.8661 5.4368 5.4368 5.4373 5.4373 5.5876 5.5876 5.5888 5.5888 k = 0.5000 0.3064-0.0000 ( 13556 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3674 -12.3674 -12.3674 -12.3674 -12.1252 -12.1252 -12.1210 -12.1210 -12.1157 -12.1157 -12.1146 -12.1146 -12.1063 -12.1063 -12.1036 -12.1036 -12.0755 -12.0755 -12.0752 -12.0752 -4.7975 -4.7975 -4.7975 -4.7975 -4.4806 -4.4806 -4.4802 -4.4802 -2.2426 -2.2426 -2.2424 -2.2424 -1.7762 -1.7762 -1.7749 -1.7749 -1.5819 -1.5819 -1.5812 -1.5812 -1.3416 -1.3416 -1.3405 -1.3405 -0.9574 -0.9574 -0.9569 -0.9569 -0.6102 -0.6102 -0.6091 -0.6091 4.8516 4.8516 4.8519 4.8519 5.4393 5.4393 5.4397 5.4397 5.6285 5.6285 5.6295 5.6295 k = 0.5000 0.3245-0.0000 ( 13560 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3767 -12.3767 -12.3675 -12.3675 -12.3675 -12.3675 -12.1250 -12.1250 -12.1216 -12.1216 -12.1155 -12.1155 -12.1147 -12.1147 -12.1061 -12.1061 -12.1038 -12.1038 -12.0753 -12.0753 -12.0751 -12.0751 -4.7938 -4.7938 -4.7938 -4.7938 -4.4802 -4.4802 -4.4798 -4.4798 -2.2563 -2.2563 -2.2561 -2.2561 -1.7597 -1.7597 -1.7584 -1.7584 -1.6035 -1.6035 -1.6032 -1.6032 -1.3465 -1.3465 -1.3456 -1.3456 -0.9432 -0.9432 -0.9428 -0.9428 -0.6028 -0.6028 -0.6019 -0.6019 4.8400 4.8400 4.8403 4.8403 5.4379 5.4379 5.4381 5.4381 5.6693 5.6693 5.6700 5.6700 k = 0.5000 0.3425-0.0000 ( 13576 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3767 -12.3767 -12.3676 -12.3676 -12.3676 -12.3676 -12.1247 -12.1247 -12.1221 -12.1221 -12.1154 -12.1154 -12.1148 -12.1148 -12.1059 -12.1059 -12.1041 -12.1041 -12.0752 -12.0752 -12.0750 -12.0750 -4.7908 -4.7908 -4.7908 -4.7908 -4.4798 -4.4798 -4.4795 -4.4795 -2.2671 -2.2671 -2.2669 -2.2669 -1.7425 -1.7425 -1.7414 -1.7414 -1.6246 -1.6246 -1.6245 -1.6245 -1.3505 -1.3505 -1.3498 -1.3498 -0.9319 -0.9319 -0.9316 -0.9316 -0.5972 -0.5972 -0.5964 -0.5964 4.8310 4.8310 4.8312 4.8312 5.4354 5.4354 5.4356 5.4356 5.6848 5.6848 5.6850 5.6850 k = 0.5000 0.3605-0.0000 ( 13560 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3767 -12.3767 -12.3676 -12.3676 -12.3676 -12.3676 -12.1243 -12.1243 -12.1226 -12.1226 -12.1153 -12.1153 -12.1149 -12.1149 -12.1057 -12.1057 -12.1045 -12.1045 -12.0750 -12.0750 -12.0749 -12.0749 -4.7886 -4.7886 -4.7885 -4.7885 -4.4795 -4.4795 -4.4793 -4.4793 -2.2748 -2.2748 -2.2747 -2.2747 -1.7249 -1.7249 -1.7238 -1.7238 -1.6452 -1.6452 -1.6449 -1.6449 -1.3534 -1.3534 -1.3530 -1.3530 -0.9236 -0.9236 -0.9234 -0.9234 -0.5931 -0.5931 -0.5926 -0.5926 4.8245 4.8245 4.8247 4.8247 5.4333 5.4333 5.4333 5.4333 5.6840 5.6840 5.6840 5.6840 k = 0.5000 0.3785-0.0000 ( 13544 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3767 -12.3767 -12.3677 -12.3677 -12.3677 -12.3677 -12.1239 -12.1239 -12.1230 -12.1230 -12.1152 -12.1152 -12.1150 -12.1150 -12.1054 -12.1054 -12.1048 -12.1048 -12.0750 -12.0750 -12.0749 -12.0749 -4.7872 -4.7872 -4.7872 -4.7872 -4.4793 -4.4793 -4.4792 -4.4792 -2.2795 -2.2795 -2.2794 -2.2794 -1.7071 -1.7071 -1.7063 -1.7063 -1.6646 -1.6646 -1.6642 -1.6642 -1.3552 -1.3552 -1.3549 -1.3549 -0.9185 -0.9185 -0.9184 -0.9184 -0.5906 -0.5906 -0.5904 -0.5904 4.8207 4.8207 4.8207 4.8207 5.4319 5.4319 5.4319 5.4319 5.6816 5.6816 5.6816 5.6816 k = 0.5000 0.3966-0.0000 ( 13552 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3768 -12.3768 -12.3677 -12.3677 -12.3677 -12.3677 -12.1235 -12.1235 -12.1235 -12.1235 -12.1151 -12.1151 -12.1151 -12.1151 -12.1051 -12.1051 -12.1051 -12.1051 -12.0749 -12.0749 -12.0749 -12.0749 -4.7867 -4.7867 -4.7867 -4.7867 -4.4792 -4.4792 -4.4792 -4.4792 -2.2810 -2.2810 -2.2810 -2.2810 -1.6944 -1.6944 -1.6944 -1.6944 -1.6774 -1.6774 -1.6774 -1.6774 -1.3557 -1.3557 -1.3557 -1.3557 -0.9168 -0.9168 -0.9168 -0.9168 -0.5897 -0.5897 -0.5897 -0.5897 4.8194 4.8194 4.8194 4.8194 5.4314 5.4314 5.4314 5.4314 5.6806 5.6806 5.6806 5.6806 k = 0.5000 0.3966-0.0000 ( 13552 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3768 -12.3768 -12.3677 -12.3677 -12.3677 -12.3677 -12.1235 -12.1235 -12.1235 -12.1235 -12.1151 -12.1151 -12.1151 -12.1151 -12.1051 -12.1051 -12.1051 -12.1051 -12.0749 -12.0749 -12.0749 -12.0749 -4.7867 -4.7867 -4.7867 -4.7867 -4.4792 -4.4792 -4.4792 -4.4792 -2.2810 -2.2810 -2.2810 -2.2810 -1.6944 -1.6944 -1.6944 -1.6944 -1.6774 -1.6774 -1.6774 -1.6774 -1.3557 -1.3557 -1.3557 -1.3557 -0.9168 -0.9168 -0.9168 -0.9168 -0.5897 -0.5897 -0.5897 -0.5897 4.8194 4.8194 4.8194 4.8194 5.4314 5.4314 5.4314 5.4314 5.6806 5.6806 5.6806 5.6806 k = 0.4815 0.3966-0.0000 ( 13560 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3767 -12.3767 -12.3677 -12.3677 -12.3676 -12.3676 -12.1238 -12.1238 -12.1232 -12.1232 -12.1152 -12.1152 -12.1150 -12.1150 -12.1054 -12.1054 -12.1047 -12.1047 -12.0750 -12.0750 -12.0749 -12.0749 -4.7885 -4.7885 -4.7884 -4.7884 -4.4782 -4.4782 -4.4782 -4.4782 -2.2794 -2.2794 -2.2793 -2.2793 -1.6957 -1.6957 -1.6956 -1.6956 -1.6764 -1.6764 -1.6762 -1.6762 -1.3549 -1.3549 -1.3548 -1.3548 -0.9174 -0.9174 -0.9172 -0.9172 -0.5901 -0.5901 -0.5898 -0.5898 4.8202 4.8202 4.8203 4.8203 5.4270 5.4270 5.4273 5.4273 5.6802 5.6802 5.6804 5.6804 k = 0.4630 0.3966-0.0000 ( 13576 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3769 -12.3769 -12.3767 -12.3767 -12.3677 -12.3677 -12.3675 -12.3675 -12.1240 -12.1240 -12.1229 -12.1229 -12.1153 -12.1153 -12.1149 -12.1149 -12.1058 -12.1058 -12.1043 -12.1043 -12.0750 -12.0750 -12.0749 -12.0749 -4.7935 -4.7935 -4.7934 -4.7934 -4.4753 -4.4753 -4.4752 -4.4752 -2.2746 -2.2746 -2.2743 -2.2743 -1.6996 -1.6996 -1.6994 -1.6994 -1.6733 -1.6733 -1.6730 -1.6730 -1.3523 -1.3523 -1.3521 -1.3521 -0.9189 -0.9189 -0.9186 -0.9186 -0.5910 -0.5910 -0.5905 -0.5905 4.8228 4.8228 4.8228 4.8228 5.4149 5.4149 5.4154 5.4154 5.6785 5.6785 5.6790 5.6790 k = 0.4444 0.3966-0.0000 ( 13592 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3770 -12.3770 -12.3766 -12.3766 -12.3676 -12.3676 -12.3674 -12.3674 -12.1243 -12.1243 -12.1226 -12.1226 -12.1154 -12.1154 -12.1148 -12.1148 -12.1060 -12.1060 -12.1038 -12.1038 -12.0751 -12.0751 -12.0750 -12.0750 -4.8015 -4.8015 -4.8014 -4.8014 -4.4707 -4.4707 -4.4705 -4.4705 -2.2665 -2.2665 -2.2661 -2.2661 -1.7057 -1.7057 -1.7054 -1.7054 -1.6681 -1.6681 -1.6677 -1.6677 -1.3483 -1.3483 -1.3480 -1.3480 -0.9214 -0.9214 -0.9208 -0.9208 -0.5925 -0.5925 -0.5918 -0.5918 4.8268 4.8268 4.8269 4.8269 5.3967 5.3967 5.3973 5.3973 5.6738 5.6738 5.6747 5.6747 k = 0.4259 0.3966-0.0000 ( 13574 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3771 -12.3771 -12.3766 -12.3766 -12.3675 -12.3675 -12.3672 -12.3672 -12.1245 -12.1245 -12.1223 -12.1223 -12.1154 -12.1154 -12.1147 -12.1147 -12.1062 -12.1062 -12.1034 -12.1034 -12.0752 -12.0752 -12.0750 -12.0750 -4.8122 -4.8122 -4.8120 -4.8120 -4.4647 -4.4647 -4.4645 -4.4645 -2.2553 -2.2553 -2.2548 -2.2548 -1.7137 -1.7137 -1.7133 -1.7133 -1.6609 -1.6609 -1.6605 -1.6605 -1.3431 -1.3431 -1.3427 -1.3427 -0.9247 -0.9247 -0.9239 -0.9239 -0.5946 -0.5946 -0.5937 -0.5937 4.8321 4.8321 4.8323 4.8323 5.3745 5.3745 5.3751 5.3751 5.6650 5.6650 5.6664 5.6664 k = 0.4074 0.3966-0.0000 ( 13574 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3771 -12.3771 -12.3766 -12.3766 -12.3673 -12.3673 -12.3670 -12.3670 -12.1247 -12.1247 -12.1219 -12.1219 -12.1154 -12.1154 -12.1147 -12.1147 -12.1063 -12.1063 -12.1030 -12.1030 -12.0753 -12.0753 -12.0751 -12.0751 -4.8250 -4.8250 -4.8248 -4.8248 -4.4578 -4.4578 -4.4575 -4.4575 -2.2411 -2.2411 -2.2404 -2.2404 -1.7233 -1.7233 -1.7228 -1.7228 -1.6518 -1.6518 -1.6513 -1.6513 -1.3371 -1.3371 -1.3366 -1.3366 -0.9286 -0.9286 -0.9277 -0.9277 -0.5976 -0.5976 -0.5964 -0.5964 4.8383 4.8383 4.8385 4.8385 5.3501 5.3501 5.3508 5.3508 5.6514 5.6514 5.6533 5.6533 k = 0.3889 0.3966-0.0000 ( 13560 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3772 -12.3772 -12.3766 -12.3766 -12.3671 -12.3671 -12.3668 -12.3668 -12.1248 -12.1248 -12.1216 -12.1216 -12.1154 -12.1154 -12.1147 -12.1147 -12.1064 -12.1064 -12.1025 -12.1025 -12.0754 -12.0754 -12.0752 -12.0752 -4.8395 -4.8395 -4.8394 -4.8394 -4.4502 -4.4502 -4.4499 -4.4499 -2.2240 -2.2240 -2.2232 -2.2232 -1.7340 -1.7340 -1.7334 -1.7334 -1.6407 -1.6407 -1.6402 -1.6402 -1.3306 -1.3306 -1.3301 -1.3301 -0.9332 -0.9332 -0.9320 -0.9320 -0.6014 -0.6014 -0.6001 -0.6001 4.8448 4.8448 4.8451 4.8451 5.3253 5.3253 5.3259 5.3259 5.6336 5.6336 5.6359 5.6359 k = 0.3704 0.3966-0.0000 ( 13566 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3773 -12.3773 -12.3766 -12.3766 -12.3669 -12.3669 -12.3665 -12.3665 -12.1250 -12.1250 -12.1212 -12.1212 -12.1153 -12.1153 -12.1148 -12.1148 -12.1063 -12.1063 -12.1021 -12.1021 -12.0755 -12.0755 -12.0753 -12.0753 -4.8554 -4.8554 -4.8552 -4.8552 -4.4424 -4.4424 -4.4420 -4.4420 -2.2043 -2.2043 -2.2034 -2.2034 -1.7454 -1.7454 -1.7447 -1.7447 -1.6280 -1.6280 -1.6274 -1.6274 -1.3240 -1.3240 -1.3233 -1.3233 -0.9381 -0.9381 -0.9368 -0.9368 -0.6064 -0.6064 -0.6049 -0.6049 4.8508 4.8508 4.8513 4.8513 5.3016 5.3016 5.3021 5.3021 5.6122 5.6122 5.6148 5.6148 k = 0.3519 0.3966-0.0000 ( 13560 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3774 -12.3774 -12.3766 -12.3766 -12.3667 -12.3667 -12.3662 -12.3662 -12.1251 -12.1251 -12.1208 -12.1208 -12.1152 -12.1152 -12.1149 -12.1149 -12.1062 -12.1062 -12.1017 -12.1017 -12.0757 -12.0757 -12.0755 -12.0755 -4.8721 -4.8721 -4.8720 -4.8720 -4.4345 -4.4345 -4.4341 -4.4341 -2.1823 -2.1823 -2.1813 -2.1813 -1.7570 -1.7570 -1.7561 -1.7561 -1.6136 -1.6136 -1.6129 -1.6129 -1.3176 -1.3176 -1.3168 -1.3168 -0.9435 -0.9435 -0.9419 -0.9419 -0.6126 -0.6126 -0.6109 -0.6109 4.8556 4.8556 4.8562 4.8562 5.2803 5.2803 5.2807 5.2807 5.5884 5.5884 5.5912 5.5912 k = 0.3333 0.3966-0.0000 ( 13568 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3775 -12.3775 -12.3767 -12.3767 -12.3664 -12.3664 -12.3659 -12.3659 -12.1252 -12.1252 -12.1205 -12.1205 -12.1151 -12.1151 -12.1150 -12.1150 -12.1060 -12.1060 -12.1013 -12.1013 -12.0759 -12.0759 -12.0756 -12.0756 -4.8895 -4.8895 -4.8894 -4.8894 -4.4267 -4.4267 -4.4264 -4.4264 -2.1584 -2.1584 -2.1572 -2.1572 -1.7683 -1.7683 -1.7672 -1.7672 -1.5976 -1.5976 -1.5969 -1.5969 -1.3116 -1.3116 -1.3107 -1.3107 -0.9490 -0.9490 -0.9473 -0.9473 -0.6201 -0.6201 -0.6183 -0.6183 4.8580 4.8580 4.8588 4.8588 5.2626 5.2626 5.2629 5.2629 5.5631 5.5631 5.5660 5.5660 k = 0.3148 0.3966-0.0000 ( 13570 PWs) bands (ev): -28.6887 -28.6887 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3775 -12.3775 -12.3767 -12.3767 -12.3660 -12.3660 -12.3656 -12.3656 -12.1253 -12.1253 -12.1201 -12.1201 -12.1153 -12.1153 -12.1149 -12.1149 -12.1057 -12.1057 -12.1010 -12.1010 -12.0760 -12.0760 -12.0758 -12.0758 -4.9072 -4.9072 -4.9070 -4.9070 -4.4193 -4.4193 -4.4190 -4.4190 -2.1330 -2.1330 -2.1317 -2.1317 -1.7787 -1.7787 -1.7775 -1.7775 -1.5803 -1.5803 -1.5796 -1.5796 -1.3062 -1.3062 -1.3052 -1.3052 -0.9548 -0.9548 -0.9529 -0.9529 -0.6291 -0.6291 -0.6271 -0.6271 4.8572 4.8572 4.8581 4.8581 5.2496 5.2496 5.2499 5.2499 5.5376 5.5376 5.5405 5.5405 k = 0.2963 0.3966-0.0000 ( 13576 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3776 -12.3776 -12.3768 -12.3768 -12.3657 -12.3657 -12.3652 -12.3652 -12.1254 -12.1254 -12.1198 -12.1198 -12.1155 -12.1155 -12.1147 -12.1147 -12.1054 -12.1054 -12.1006 -12.1006 -12.0762 -12.0762 -12.0760 -12.0760 -4.9249 -4.9249 -4.9247 -4.9247 -4.4124 -4.4124 -4.4120 -4.4120 -2.1068 -2.1068 -2.1054 -2.1054 -1.7876 -1.7876 -1.7863 -1.7863 -1.5618 -1.5618 -1.5610 -1.5610 -1.3015 -1.3015 -1.3004 -1.3004 -0.9606 -0.9606 -0.9586 -0.9586 -0.6396 -0.6396 -0.6375 -0.6375 4.8522 4.8522 4.8533 4.8533 5.2418 5.2418 5.2420 5.2420 5.5130 5.5130 5.5158 5.5158 k = 0.2778 0.3966-0.0000 ( 13568 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3776 -12.3776 -12.3768 -12.3768 -12.3654 -12.3654 -12.3649 -12.3649 -12.1255 -12.1255 -12.1195 -12.1195 -12.1157 -12.1157 -12.1145 -12.1145 -12.1050 -12.1050 -12.1003 -12.1003 -12.0764 -12.0764 -12.0762 -12.0762 -4.9424 -4.9424 -4.9423 -4.9423 -4.4058 -4.4058 -4.4055 -4.4055 -2.0807 -2.0807 -2.0792 -2.0792 -1.7941 -1.7941 -1.7926 -1.7926 -1.5422 -1.5422 -1.5415 -1.5415 -1.2976 -1.2976 -1.2964 -1.2964 -0.9667 -0.9667 -0.9644 -0.9644 -0.6518 -0.6518 -0.6495 -0.6495 4.8428 4.8428 4.8440 4.8440 5.2388 5.2388 5.2391 5.2391 5.4904 5.4904 5.4930 5.4930 k = 0.2593 0.3966-0.0000 ( 13564 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3777 -12.3777 -12.3768 -12.3768 -12.3651 -12.3651 -12.3646 -12.3646 -12.1255 -12.1255 -12.1194 -12.1194 -12.1158 -12.1158 -12.1143 -12.1143 -12.1045 -12.1045 -12.0999 -12.0999 -12.0766 -12.0766 -12.0764 -12.0764 -4.9596 -4.9596 -4.9595 -4.9595 -4.3999 -4.3999 -4.3996 -4.3996 -2.0560 -2.0560 -2.0543 -2.0543 -1.7971 -1.7971 -1.7955 -1.7955 -1.5219 -1.5219 -1.5211 -1.5211 -1.2945 -1.2945 -1.2931 -1.2931 -0.9730 -0.9730 -0.9706 -0.9706 -0.6655 -0.6655 -0.6631 -0.6631 4.8293 4.8293 4.8305 4.8305 5.2395 5.2395 5.2400 5.2400 5.4713 5.4713 5.4736 5.4736 k = 0.2407 0.3966-0.0000 ( 13586 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3777 -12.3777 -12.3769 -12.3769 -12.3647 -12.3647 -12.3642 -12.3642 -12.1255 -12.1255 -12.1193 -12.1193 -12.1158 -12.1158 -12.1141 -12.1141 -12.1041 -12.1041 -12.0997 -12.0997 -12.0769 -12.0769 -12.0766 -12.0766 -4.9762 -4.9762 -4.9761 -4.9761 -4.3945 -4.3945 -4.3942 -4.3942 -2.0340 -2.0340 -2.0323 -2.0323 -1.7952 -1.7952 -1.7935 -1.7935 -1.5009 -1.5009 -1.5001 -1.5001 -1.2921 -1.2921 -1.2906 -1.2906 -0.9797 -0.9797 -0.9771 -0.9771 -0.6808 -0.6808 -0.6783 -0.6783 4.8123 4.8123 4.8136 4.8136 5.2420 5.2420 5.2428 5.2428 5.4570 5.4570 5.4590 5.4590 k = 0.2222 0.3966-0.0000 ( 13562 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3778 -12.3778 -12.3770 -12.3770 -12.3644 -12.3644 -12.3639 -12.3639 -12.1255 -12.1255 -12.1193 -12.1193 -12.1157 -12.1157 -12.1138 -12.1138 -12.1036 -12.1036 -12.0994 -12.0994 -12.0771 -12.0771 -12.0768 -12.0768 -4.9921 -4.9921 -4.9920 -4.9920 -4.3896 -4.3896 -4.3893 -4.3893 -2.0163 -2.0163 -2.0146 -2.0146 -1.7871 -1.7871 -1.7852 -1.7852 -1.4795 -1.4795 -1.4787 -1.4787 -1.2902 -1.2902 -1.2886 -1.2886 -0.9870 -0.9870 -0.9842 -0.9842 -0.6974 -0.6974 -0.6949 -0.6949 4.7928 4.7928 4.7940 4.7940 5.2442 5.2442 5.2453 5.2453 5.4490 5.4490 5.4506 5.4506 k = 0.2037 0.3966-0.0000 ( 13542 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3778 -12.3778 -12.3770 -12.3770 -12.3640 -12.3640 -12.3636 -12.3636 -12.1254 -12.1254 -12.1195 -12.1195 -12.1155 -12.1155 -12.1136 -12.1136 -12.1031 -12.1031 -12.0992 -12.0992 -12.0773 -12.0773 -12.0770 -12.0770 -5.0072 -5.0072 -5.0072 -5.0072 -4.3852 -4.3852 -4.3850 -4.3850 -2.0039 -2.0039 -2.0023 -2.0023 -1.7719 -1.7719 -1.7701 -1.7701 -1.4580 -1.4580 -1.4573 -1.4573 -1.2888 -1.2888 -1.2870 -1.2870 -0.9950 -0.9950 -0.9920 -0.9920 -0.7153 -0.7153 -0.7127 -0.7127 4.7716 4.7716 4.7728 4.7728 5.2443 5.2443 5.2456 5.2456 5.4476 5.4476 5.4489 5.4489 k = 0.1852 0.3966-0.0000 ( 13542 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3778 -12.3778 -12.3771 -12.3771 -12.3637 -12.3637 -12.3633 -12.3633 -12.1253 -12.1253 -12.1197 -12.1197 -12.1152 -12.1152 -12.1133 -12.1133 -12.1027 -12.1027 -12.0990 -12.0990 -12.0775 -12.0775 -12.0772 -12.0772 -5.0214 -5.0214 -5.0213 -5.0213 -4.3814 -4.3814 -4.3812 -4.3812 -1.9967 -1.9967 -1.9953 -1.9953 -1.7501 -1.7501 -1.7483 -1.7483 -1.4366 -1.4366 -1.4360 -1.4360 -1.2875 -1.2875 -1.2856 -1.2856 -1.0040 -1.0040 -1.0009 -1.0009 -0.7342 -0.7342 -0.7315 -0.7315 4.7497 4.7497 4.7507 4.7507 5.2416 5.2416 5.2432 5.2432 5.4515 5.4515 5.4527 5.4527 k = 0.1667 0.3966-0.0000 ( 13542 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3778 -12.3778 -12.3771 -12.3771 -12.3634 -12.3634 -12.3630 -12.3630 -12.1252 -12.1252 -12.1201 -12.1201 -12.1149 -12.1149 -12.1131 -12.1131 -12.1022 -12.1022 -12.0988 -12.0988 -12.0777 -12.0777 -12.0774 -12.0774 -5.0345 -5.0345 -5.0345 -5.0345 -4.3781 -4.3781 -4.3779 -4.3779 -1.9938 -1.9938 -1.9926 -1.9926 -1.7230 -1.7230 -1.7214 -1.7214 -1.4158 -1.4158 -1.4152 -1.4152 -1.2862 -1.2862 -1.2841 -1.2841 -1.0143 -1.0143 -1.0111 -1.0111 -0.7536 -0.7536 -0.7509 -0.7509 4.7276 4.7276 4.7286 4.7286 5.2368 5.2368 5.2385 5.2385 5.4579 5.4579 5.4591 5.4591 k = 0.1481 0.3966-0.0000 ( 13554 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3778 -12.3778 -12.3772 -12.3772 -12.3631 -12.3631 -12.3628 -12.3628 -12.1251 -12.1251 -12.1204 -12.1204 -12.1145 -12.1145 -12.1129 -12.1129 -12.1018 -12.1018 -12.0987 -12.0987 -12.0779 -12.0779 -12.0776 -12.0776 -5.0465 -5.0465 -5.0464 -5.0464 -4.3752 -4.3752 -4.3750 -4.3750 -1.9938 -1.9938 -1.9928 -1.9928 -1.6924 -1.6924 -1.6909 -1.6909 -1.3958 -1.3958 -1.3953 -1.3953 -1.2843 -1.2843 -1.2821 -1.2821 -1.0263 -1.0263 -1.0229 -1.0229 -0.7732 -0.7732 -0.7705 -0.7705 4.7062 4.7062 4.7071 4.7071 5.2310 5.2310 5.2327 5.2327 5.4633 5.4633 5.4643 5.4643 k = 0.1296 0.3966-0.0000 ( 13556 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3778 -12.3778 -12.3772 -12.3772 -12.3629 -12.3629 -12.3626 -12.3626 -12.1250 -12.1250 -12.1208 -12.1208 -12.1142 -12.1142 -12.1127 -12.1127 -12.1013 -12.1013 -12.0986 -12.0986 -12.0780 -12.0780 -12.0778 -12.0778 -5.0572 -5.0572 -5.0572 -5.0572 -4.3727 -4.3727 -4.3726 -4.3726 -1.9956 -1.9956 -1.9948 -1.9948 -1.6601 -1.6601 -1.6586 -1.6586 -1.3771 -1.3771 -1.3767 -1.3767 -1.2814 -1.2814 -1.2790 -1.2790 -1.0401 -1.0401 -1.0366 -1.0366 -0.7923 -0.7923 -0.7897 -0.7897 4.6860 4.6860 4.6868 4.6868 5.2252 5.2252 5.2268 5.2268 5.4649 5.4649 5.4657 5.4657 k = 0.1111 0.3966-0.0000 ( 13554 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3778 -12.3778 -12.3773 -12.3773 -12.3626 -12.3626 -12.3624 -12.3624 -12.1248 -12.1248 -12.1211 -12.1211 -12.1138 -12.1138 -12.1126 -12.1126 -12.1009 -12.1009 -12.0986 -12.0986 -12.0782 -12.0782 -12.0780 -12.0780 -5.0667 -5.0667 -5.0666 -5.0666 -4.3707 -4.3707 -4.3706 -4.3706 -1.9983 -1.9983 -1.9976 -1.9976 -1.6276 -1.6276 -1.6262 -1.6262 -1.3604 -1.3604 -1.3601 -1.3601 -1.2769 -1.2769 -1.2743 -1.2743 -1.0560 -1.0560 -1.0524 -1.0524 -0.8103 -0.8103 -0.8079 -0.8079 4.6675 4.6675 4.6682 4.6682 5.2201 5.2201 5.2214 5.2214 5.4625 5.4625 5.4630 5.4630 k = 0.0926 0.3966-0.0000 ( 13552 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3778 -12.3778 -12.3774 -12.3774 -12.3624 -12.3624 -12.3622 -12.3622 -12.1246 -12.1246 -12.1215 -12.1215 -12.1135 -12.1135 -12.1124 -12.1124 -12.1005 -12.1005 -12.0985 -12.0985 -12.0783 -12.0783 -12.0781 -12.0781 -5.0748 -5.0748 -5.0748 -5.0748 -4.3690 -4.3690 -4.3689 -4.3689 -2.0013 -2.0013 -2.0008 -2.0008 -1.5964 -1.5964 -1.5951 -1.5951 -1.3462 -1.3462 -1.3460 -1.3460 -1.2698 -1.2698 -1.2670 -1.2670 -1.0742 -1.0742 -1.0706 -1.0706 -0.8266 -0.8266 -0.8244 -0.8244 4.6511 4.6511 4.6516 4.6516 5.2158 5.2158 5.2170 5.2170 5.4574 5.4574 5.4576 5.4576 k = 0.0741 0.3966-0.0000 ( 13548 PWs) bands (ev): -28.6888 -28.6888 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3777 -12.3777 -12.3774 -12.3774 -12.3622 -12.3622 -12.3620 -12.3620 -12.1244 -12.1244 -12.1219 -12.1219 -12.1132 -12.1132 -12.1123 -12.1123 -12.1001 -12.1001 -12.0986 -12.0986 -12.0784 -12.0784 -12.0783 -12.0783 -5.0815 -5.0815 -5.0814 -5.0814 -4.3677 -4.3677 -4.3676 -4.3676 -2.0041 -2.0041 -2.0037 -2.0037 -1.5680 -1.5680 -1.5668 -1.5668 -1.3350 -1.3350 -1.3350 -1.3350 -1.2595 -1.2595 -1.2566 -1.2566 -1.0946 -1.0946 -1.0909 -1.0909 -0.8407 -0.8407 -0.8388 -0.8388 4.6371 4.6371 4.6376 4.6376 5.2127 5.2127 5.2137 5.2137 5.4511 5.4511 5.4511 5.4511 k = 0.0556 0.3966-0.0000 ( 13532 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6865 -28.6865 -12.3777 -12.3777 -12.3775 -12.3775 -12.3621 -12.3621 -12.3619 -12.3619 -12.1241 -12.1241 -12.1222 -12.1222 -12.1130 -12.1130 -12.1123 -12.1123 -12.0998 -12.0998 -12.0986 -12.0986 -12.0785 -12.0785 -12.0784 -12.0784 -5.0867 -5.0867 -5.0867 -5.0867 -4.3667 -4.3667 -4.3666 -4.3666 -2.0065 -2.0065 -2.0063 -2.0063 -1.5439 -1.5439 -1.5429 -1.5429 -1.3269 -1.3269 -1.3268 -1.3268 -1.2458 -1.2458 -1.2428 -1.2428 -1.1167 -1.1167 -1.1130 -1.1130 -0.8520 -0.8520 -0.8505 -0.8505 4.6260 4.6260 4.6263 4.6263 5.2105 5.2105 5.2113 5.2113 5.4450 5.4450 5.4451 5.4451 k = 0.0370 0.3966-0.0000 ( 13526 PWs) bands (ev): -28.6888 -28.6888 -28.6887 -28.6887 -28.6866 -28.6866 -28.6865 -28.6865 -12.3777 -12.3777 -12.3775 -12.3775 -12.3620 -12.3620 -12.3619 -12.3619 -12.1238 -12.1238 -12.1226 -12.1226 -12.1127 -12.1127 -12.1123 -12.1123 -12.0995 -12.0995 -12.0987 -12.0987 -12.0786 -12.0786 -12.0785 -12.0785 -5.0905 -5.0905 -5.0905 -5.0905 -4.3659 -4.3659 -4.3659 -4.3659 -2.0084 -2.0084 -2.0082 -2.0082 -1.5255 -1.5255 -1.5247 -1.5247 -1.3214 -1.3214 -1.3212 -1.3212 -1.2290 -1.2290 -1.2258 -1.2258 -1.1400 -1.1400 -1.1364 -1.1364 -0.8602 -0.8602 -0.8592 -0.8592 4.6178 4.6178 4.6181 4.6181 5.2092 5.2092 5.2097 5.2097 5.4401 5.4401 5.4402 5.4402 k = 0.0185 0.3966-0.0000 ( 13526 PWs) bands (ev): -28.6888 -28.6888 -28.6888 -28.6888 -28.6865 -28.6865 -28.6865 -28.6865 -12.3776 -12.3776 -12.3775 -12.3775 -12.3619 -12.3619 -12.3618 -12.3618 -12.1235 -12.1235 -12.1229 -12.1229 -12.1126 -12.1126 -12.1123 -12.1123 -12.0993 -12.0993 -12.0989 -12.0989 -12.0786 -12.0786 -12.0786 -12.0786 -5.0927 -5.0927 -5.0927 -5.0927 -4.3655 -4.3655 -4.3655 -4.3655 -2.0095 -2.0095 -2.0094 -2.0094 -1.5138 -1.5138 -1.5133 -1.5133 -1.3181 -1.3181 -1.3180 -1.3180 -1.2094 -1.2094 -1.2061 -1.2061 -1.1637 -1.1637 -1.1602 -1.1602 -0.8651 -0.8651 -0.8646 -0.8646 4.6129 4.6129 4.6130 4.6130 5.2086 5.2086 5.2088 5.2088 5.4370 5.4370 5.4371 5.4371 k = 0.0000 0.3966-0.0000 ( 13526 PWs) bands (ev): -28.6888 -28.6888 -28.6888 -28.6888 -28.6865 -28.6865 -28.6865 -28.6865 -12.3776 -12.3776 -12.3776 -12.3776 -12.3619 -12.3619 -12.3618 -12.3618 -12.1232 -12.1232 -12.1232 -12.1232 -12.1124 -12.1124 -12.1124 -12.1124 -12.0990 -12.0990 -12.0990 -12.0990 -12.0786 -12.0786 -12.0786 -12.0786 -5.0935 -5.0935 -5.0935 -5.0935 -4.3654 -4.3654 -4.3654 -4.3654 -2.0099 -2.0099 -2.0099 -2.0099 -1.5097 -1.5097 -1.5096 -1.5096 -1.3170 -1.3170 -1.3170 -1.3170 -1.1894 -1.1894 -1.1894 -1.1894 -1.1818 -1.1818 -1.1817 -1.1817 -0.8666 -0.8666 -0.8666 -0.8666 4.6113 4.6113 4.6113 4.6113 5.2084 5.2084 5.2084 5.2084 5.4360 5.4360 5.4360 5.4360 k = 0.0000 0.3966-0.0000 ( 13526 PWs) bands (ev): -28.6888 -28.6888 -28.6888 -28.6888 -28.6865 -28.6865 -28.6865 -28.6865 -12.3776 -12.3776 -12.3776 -12.3776 -12.3619 -12.3619 -12.3618 -12.3618 -12.1232 -12.1232 -12.1232 -12.1232 -12.1124 -12.1124 -12.1124 -12.1124 -12.0990 -12.0990 -12.0990 -12.0990 -12.0786 -12.0786 -12.0786 -12.0786 -5.0935 -5.0935 -5.0935 -5.0935 -4.3654 -4.3654 -4.3654 -4.3654 -2.0099 -2.0099 -2.0099 -2.0099 -1.5097 -1.5097 -1.5096 -1.5096 -1.3170 -1.3170 -1.3170 -1.3170 -1.1894 -1.1894 -1.1894 -1.1894 -1.1818 -1.1818 -1.1817 -1.1817 -0.8666 -0.8666 -0.8666 -0.8666 4.6113 4.6113 4.6113 4.6113 5.2084 5.2084 5.2084 5.2084 5.4360 5.4360 5.4360 5.4360 k = 0.0000 0.3785-0.0000 ( 13536 PWs) bands (ev): -28.6888 -28.6888 -28.6887 -28.6887 -28.6866 -28.6866 -28.6865 -28.6865 -12.3778 -12.3778 -12.3774 -12.3774 -12.3627 -12.3627 -12.3610 -12.3610 -12.1235 -12.1235 -12.1230 -12.1230 -12.1134 -12.1134 -12.1114 -12.1114 -12.0997 -12.0997 -12.0984 -12.0984 -12.0792 -12.0792 -12.0780 -12.0780 -5.1199 -5.1199 -5.0671 -5.0671 -4.3772 -4.3772 -4.3536 -4.3536 -2.0184 -2.0184 -2.0013 -2.0013 -1.5355 -1.5355 -1.4821 -1.4821 -1.3216 -1.3216 -1.3156 -1.3156 -1.1927 -1.1927 -1.1877 -1.1877 -1.1816 -1.1816 -1.1780 -1.1780 -0.8687 -0.8687 -0.8647 -0.8647 4.6082 4.6082 4.6174 4.6174 5.1748 5.1748 5.2369 5.2369 5.4226 5.4226 5.4410 5.4410 k = 0.0000 0.3605-0.0000 ( 13542 PWs) bands (ev): -28.6889 -28.6889 -28.6886 -28.6886 -28.6866 -28.6866 -28.6865 -28.6865 -12.3779 -12.3779 -12.3772 -12.3772 -12.3635 -12.3635 -12.3602 -12.3602 -12.1238 -12.1238 -12.1227 -12.1227 -12.1144 -12.1144 -12.1104 -12.1104 -12.1004 -12.1004 -12.0978 -12.0978 -12.0798 -12.0798 -12.0774 -12.0774 -5.1462 -5.1462 -5.0408 -5.0408 -4.3888 -4.3888 -4.3419 -4.3419 -2.0265 -2.0265 -1.9930 -1.9930 -1.5594 -1.5594 -1.4534 -1.4534 -1.3285 -1.3285 -1.3176 -1.3176 -1.1944 -1.1944 -1.1912 -1.1912 -1.1757 -1.1757 -1.1722 -1.1722 -0.8712 -0.8712 -0.8630 -0.8630 4.6081 4.6081 4.6266 4.6266 5.1366 5.1366 5.2601 5.2601 5.4022 5.4022 5.4359 5.4359 k = 0.0000 0.3425-0.0000 ( 13546 PWs) bands (ev): -28.6890 -28.6890 -28.6885 -28.6885 -28.6866 -28.6866 -28.6865 -28.6865 -12.3781 -12.3781 -12.3771 -12.3771 -12.3643 -12.3643 -12.3594 -12.3594 -12.1240 -12.1240 -12.1224 -12.1224 -12.1152 -12.1152 -12.1094 -12.1094 -12.1011 -12.1011 -12.0972 -12.0972 -12.0804 -12.0804 -12.0768 -12.0768 -5.1722 -5.1722 -5.0149 -5.0149 -4.4003 -4.4003 -4.3304 -4.3304 -2.0340 -2.0340 -1.9854 -1.9854 -1.5807 -1.5807 -1.4236 -1.4236 -1.3370 -1.3370 -1.3227 -1.3227 -1.2006 -1.2006 -1.1879 -1.1879 -1.1742 -1.1742 -1.1608 -1.1608 -0.8740 -0.8740 -0.8614 -0.8614 4.6110 4.6110 4.6387 4.6387 5.0945 5.0945 5.2777 5.2777 5.3760 5.3760 5.4194 5.4194 k = 0.0000 0.3245-0.0000 ( 13558 PWs) bands (ev): -28.6891 -28.6891 -28.6884 -28.6884 -28.6867 -28.6867 -28.6865 -28.6865 -12.3782 -12.3782 -12.3769 -12.3769 -12.3652 -12.3652 -12.3586 -12.3586 -12.1242 -12.1242 -12.1221 -12.1221 -12.1161 -12.1161 -12.1084 -12.1084 -12.1018 -12.1018 -12.0966 -12.0966 -12.0810 -12.0810 -12.0762 -12.0762 -5.1977 -5.1977 -4.9895 -4.9895 -4.4113 -4.4113 -4.3192 -4.3192 -2.0407 -2.0407 -1.9789 -1.9789 -1.5992 -1.5992 -1.3933 -1.3933 -1.3465 -1.3465 -1.3302 -1.3302 -1.2082 -1.2082 -1.1814 -1.1814 -1.1741 -1.1741 -1.1481 -1.1481 -0.8772 -0.8772 -0.8599 -0.8599 4.6167 4.6167 4.6538 4.6538 5.0493 5.0493 5.2900 5.2900 5.3454 5.3454 5.3927 5.3927 k = 0.0000 0.3064-0.0000 ( 13542 PWs) bands (ev): -28.6892 -28.6892 -28.6883 -28.6883 -28.6867 -28.6867 -28.6865 -28.6865 -12.3783 -12.3783 -12.3767 -12.3767 -12.3660 -12.3660 -12.3578 -12.3578 -12.1244 -12.1244 -12.1219 -12.1219 -12.1168 -12.1168 -12.1075 -12.1075 -12.1024 -12.1024 -12.0960 -12.0960 -12.0816 -12.0816 -12.0756 -12.0756 -5.2226 -5.2226 -4.9649 -4.9649 -4.4219 -4.4219 -4.3084 -4.3084 -2.0464 -2.0464 -1.9740 -1.9740 -1.6142 -1.6142 -1.3627 -1.3627 -1.3564 -1.3564 -1.3393 -1.3393 -1.2165 -1.2165 -1.1763 -1.1763 -1.1720 -1.1720 -1.1345 -1.1345 -0.8809 -0.8809 -0.8584 -0.8584 4.6253 4.6253 4.6717 4.6717 5.0018 5.0018 5.2973 5.2973 5.3119 5.3119 5.3591 5.3591 k = 0.0000 0.2884-0.0000 ( 13554 PWs) bands (ev): -28.6892 -28.6892 -28.6883 -28.6883 -28.6867 -28.6867 -28.6864 -28.6864 -12.3784 -12.3784 -12.3765 -12.3765 -12.3667 -12.3667 -12.3570 -12.3570 -12.1246 -12.1246 -12.1216 -12.1216 -12.1175 -12.1175 -12.1066 -12.1066 -12.1030 -12.1030 -12.0956 -12.0956 -12.0822 -12.0822 -12.0751 -12.0751 -5.2468 -5.2468 -4.9412 -4.9412 -4.4318 -4.4318 -4.2980 -4.2980 -2.0510 -2.0510 -1.9710 -1.9710 -1.6257 -1.6257 -1.3666 -1.3666 -1.3493 -1.3493 -1.3320 -1.3320 -1.2253 -1.2253 -1.1787 -1.1787 -1.1626 -1.1626 -1.1205 -1.1205 -0.8850 -0.8850 -0.8569 -0.8569 4.6365 4.6365 4.6924 4.6924 4.9528 4.9528 5.2768 5.2768 5.3001 5.3001 5.3226 5.3226 k = 0.0000 0.2704-0.0000 ( 13542 PWs) bands (ev): -28.6893 -28.6893 -28.6882 -28.6882 -28.6867 -28.6867 -28.6864 -28.6864 -12.3785 -12.3785 -12.3763 -12.3763 -12.3675 -12.3675 -12.3562 -12.3562 -12.1248 -12.1248 -12.1215 -12.1215 -12.1180 -12.1180 -12.1059 -12.1059 -12.1034 -12.1034 -12.0951 -12.0951 -12.0827 -12.0827 -12.0745 -12.0745 -5.2701 -5.2701 -4.9186 -4.9186 -4.4410 -4.4410 -4.2882 -4.2882 -2.0544 -2.0544 -1.9702 -1.9702 -1.6332 -1.6332 -1.3767 -1.3767 -1.3597 -1.3597 -1.3018 -1.3018 -1.2344 -1.2344 -1.1826 -1.1826 -1.1522 -1.1522 -1.1064 -1.1064 -0.8894 -0.8894 -0.8553 -0.8553 4.6502 4.6502 4.7156 4.7156 4.9033 4.9033 5.2416 5.2416 5.2857 5.2857 5.2991 5.2991 k = 0.0000 0.2524-0.0000 ( 13540 PWs) bands (ev): -28.6894 -28.6894 -28.6881 -28.6881 -28.6867 -28.6867 -28.6864 -28.6864 -12.3785 -12.3785 -12.3761 -12.3761 -12.3683 -12.3683 -12.3555 -12.3555 -12.1250 -12.1250 -12.1214 -12.1214 -12.1183 -12.1183 -12.1057 -12.1057 -12.1033 -12.1033 -12.0947 -12.0947 -12.0833 -12.0833 -12.0740 -12.0740 -5.2924 -5.2924 -4.8973 -4.8973 -4.4493 -4.4493 -4.2789 -4.2789 -2.0566 -2.0566 -1.9717 -1.9717 -1.6369 -1.6369 -1.3867 -1.3867 -1.3701 -1.3701 -1.2724 -1.2724 -1.2439 -1.2439 -1.1875 -1.1875 -1.1414 -1.1414 -1.0923 -1.0923 -0.8943 -0.8943 -0.8538 -0.8538 4.6661 4.6661 4.7412 4.7412 4.8539 4.8539 5.2071 5.2071 5.2507 5.2507 5.2944 5.2944 k = 0.0000 0.2343-0.0000 ( 13544 PWs) bands (ev): -28.6894 -28.6894 -28.6880 -28.6880 -28.6868 -28.6868 -28.6864 -28.6864 -12.3786 -12.3786 -12.3759 -12.3759 -12.3690 -12.3690 -12.3548 -12.3548 -12.1252 -12.1252 -12.1214 -12.1214 -12.1184 -12.1184 -12.1060 -12.1060 -12.1028 -12.1028 -12.0944 -12.0944 -12.0838 -12.0838 -12.0735 -12.0735 -5.3137 -5.3137 -4.8776 -4.8776 -4.4566 -4.4566 -4.2703 -4.2703 -2.0577 -2.0577 -1.9752 -1.9752 -1.6371 -1.6371 -1.3962 -1.3962 -1.3803 -1.3803 -1.2540 -1.2540 -1.2445 -1.2445 -1.1923 -1.1923 -1.1306 -1.1306 -1.0784 -1.0784 -0.8994 -0.8994 -0.8523 -0.8523 4.6840 4.6840 4.7689 4.7689 4.8054 4.8054 5.1741 5.1741 5.2185 5.2185 5.2870 5.2870 k = 0.0000 0.2163-0.0000 ( 13544 PWs) bands (ev): -28.6895 -28.6895 -28.6879 -28.6879 -28.6868 -28.6868 -28.6864 -28.6864 -12.3786 -12.3786 -12.3757 -12.3757 -12.3697 -12.3697 -12.3541 -12.3541 -12.1254 -12.1254 -12.1215 -12.1215 -12.1184 -12.1184 -12.1065 -12.1065 -12.1020 -12.1020 -12.0941 -12.0941 -12.0842 -12.0842 -12.0730 -12.0730 -5.3338 -5.3338 -4.8594 -4.8594 -4.4628 -4.4628 -4.2623 -4.2623 -2.0577 -2.0577 -1.9805 -1.9805 -1.6340 -1.6340 -1.4054 -1.4054 -1.3902 -1.3902 -1.2635 -1.2635 -1.2243 -1.2243 -1.1921 -1.1921 -1.1200 -1.1200 -1.0649 -1.0649 -0.9049 -0.9049 -0.8508 -0.8508 4.7037 4.7037 4.7584 4.7584 4.7986 4.7986 5.1431 5.1431 5.1897 5.1897 5.2775 5.2775 k = 0.0000 0.1983-0.0000 ( 13558 PWs) bands (ev): -28.6895 -28.6895 -28.6879 -28.6879 -28.6868 -28.6868 -28.6864 -28.6864 -12.3786 -12.3786 -12.3756 -12.3756 -12.3704 -12.3704 -12.3535 -12.3535 -12.1257 -12.1257 -12.1217 -12.1217 -12.1183 -12.1183 -12.1070 -12.1070 -12.1013 -12.1013 -12.0939 -12.0939 -12.0846 -12.0846 -12.0725 -12.0725 -5.3526 -5.3526 -4.8430 -4.8430 -4.4679 -4.4679 -4.2550 -4.2550 -2.0566 -2.0566 -1.9870 -1.9870 -1.6284 -1.6284 -1.4140 -1.4140 -1.3995 -1.3995 -1.2733 -1.2733 -1.2213 -1.2213 -1.1763 -1.1763 -1.1096 -1.1096 -1.0519 -1.0519 -0.9105 -0.9105 -0.8495 -0.8495 4.7131 4.7131 4.7248 4.7248 4.8297 4.8297 5.1147 5.1147 5.1646 5.1646 5.2665 5.2665 k = 0.0000 0.1803-0.0000 ( 13552 PWs) bands (ev): -28.6896 -28.6896 -28.6878 -28.6878 -28.6868 -28.6868 -28.6864 -28.6864 -12.3786 -12.3786 -12.3754 -12.3754 -12.3710 -12.3710 -12.3529 -12.3529 -12.1260 -12.1260 -12.1217 -12.1217 -12.1182 -12.1182 -12.1075 -12.1075 -12.1005 -12.1005 -12.0938 -12.0938 -12.0850 -12.0850 -12.0721 -12.0721 -5.3700 -5.3700 -4.8285 -4.8285 -4.4719 -4.4719 -4.2483 -4.2483 -2.0546 -2.0546 -1.9944 -1.9944 -1.6209 -1.6209 -1.4221 -1.4221 -1.4083 -1.4083 -1.2829 -1.2829 -1.2278 -1.2278 -1.1528 -1.1528 -1.0998 -1.0998 -1.0397 -1.0397 -0.9161 -0.9161 -0.8484 -0.8484 4.6707 4.6707 4.7465 4.7465 4.8619 4.8619 5.0890 5.0890 5.1436 5.1436 5.2544 5.2544 k = 0.0000 0.1622-0.0000 ( 13556 PWs) bands (ev): -28.6897 -28.6897 -28.6878 -28.6878 -28.6869 -28.6869 -28.6864 -28.6864 -12.3785 -12.3785 -12.3753 -12.3753 -12.3716 -12.3716 -12.3524 -12.3524 -12.1264 -12.1264 -12.1217 -12.1217 -12.1180 -12.1180 -12.1080 -12.1080 -12.0998 -12.0998 -12.0937 -12.0937 -12.0852 -12.0852 -12.0717 -12.0717 -5.3861 -5.3861 -4.8158 -4.8158 -4.4747 -4.4747 -4.2424 -4.2424 -2.0519 -2.0519 -2.0021 -2.0021 -1.6119 -1.6119 -1.4295 -1.4295 -1.4164 -1.4164 -1.2924 -1.2924 -1.2366 -1.2366 -1.1290 -1.1290 -1.0906 -1.0906 -1.0282 -1.0282 -0.9218 -0.9218 -0.8475 -0.8475 4.6311 4.6311 4.7686 4.7686 4.8947 4.8947 5.0662 5.0662 5.1267 5.1267 5.2418 5.2418 k = 0.0000 0.1442-0.0000 ( 13548 PWs) bands (ev): -28.6897 -28.6897 -28.6877 -28.6877 -28.6869 -28.6869 -28.6864 -28.6864 -12.3784 -12.3784 -12.3751 -12.3751 -12.3722 -12.3722 -12.3519 -12.3519 -12.1267 -12.1267 -12.1217 -12.1217 -12.1179 -12.1179 -12.1084 -12.1084 -12.0992 -12.0992 -12.0937 -12.0937 -12.0855 -12.0855 -12.0714 -12.0714 -5.4006 -5.4006 -4.8051 -4.8051 -4.4765 -4.4765 -4.2371 -4.2371 -2.0485 -2.0485 -2.0097 -2.0097 -1.6022 -1.6022 -1.4363 -1.4363 -1.4238 -1.4238 -1.3015 -1.3015 -1.2461 -1.2461 -1.1063 -1.1063 -1.0821 -1.0821 -1.0176 -1.0176 -0.9272 -0.9272 -0.8470 -0.8470 4.5947 4.5947 4.7905 4.7905 4.9273 4.9273 5.0466 5.0466 5.1140 5.1140 5.2293 5.2293 k = 0.0000 0.1262-0.0000 ( 13544 PWs) bands (ev): -28.6897 -28.6897 -28.6876 -28.6876 -28.6869 -28.6869 -28.6864 -28.6864 -12.3783 -12.3783 -12.3750 -12.3750 -12.3727 -12.3727 -12.3515 -12.3515 -12.1270 -12.1270 -12.1215 -12.1215 -12.1178 -12.1178 -12.1087 -12.1087 -12.0987 -12.0987 -12.0937 -12.0937 -12.0857 -12.0857 -12.0711 -12.0711 -5.4135 -5.4135 -4.7961 -4.7961 -4.4774 -4.4774 -4.2325 -4.2325 -2.0448 -2.0448 -2.0170 -2.0170 -1.5921 -1.5921 -1.4423 -1.4423 -1.4304 -1.4304 -1.3102 -1.3102 -1.2555 -1.2555 -1.0852 -1.0852 -1.0743 -1.0743 -1.0079 -1.0079 -0.9325 -0.9325 -0.8467 -0.8467 4.5620 4.5620 4.8114 4.8114 4.9584 4.9584 5.0308 5.0308 5.1052 5.1052 5.2171 5.2171 k = 0.0000 0.1082-0.0000 ( 13540 PWs) bands (ev): -28.6898 -28.6898 -28.6876 -28.6876 -28.6869 -28.6869 -28.6864 -28.6864 -12.3782 -12.3782 -12.3749 -12.3749 -12.3732 -12.3732 -12.3511 -12.3511 -12.1273 -12.1273 -12.1214 -12.1214 -12.1178 -12.1178 -12.1090 -12.1090 -12.0982 -12.0982 -12.0937 -12.0937 -12.0858 -12.0858 -12.0708 -12.0708 -5.4249 -5.4249 -4.7888 -4.7888 -4.4776 -4.4776 -4.2285 -4.2285 -2.0410 -2.0410 -2.0237 -2.0237 -1.5822 -1.5822 -1.4476 -1.4476 -1.4362 -1.4362 -1.3183 -1.3183 -1.2646 -1.2646 -1.0676 -1.0676 -1.0661 -1.0661 -0.9994 -0.9994 -0.9373 -0.9373 -0.8468 -0.8468 4.5331 4.5331 4.8306 4.8306 4.9842 4.9842 5.0217 5.0217 5.1002 5.1002 5.2058 5.2058 k = 0.0000 0.0901-0.0000 ( 13550 PWs) bands (ev): -28.6898 -28.6898 -28.6876 -28.6876 -28.6869 -28.6869 -28.6864 -28.6864 -12.3781 -12.3781 -12.3749 -12.3749 -12.3736 -12.3736 -12.3508 -12.3508 -12.1276 -12.1276 -12.1212 -12.1212 -12.1179 -12.1179 -12.1092 -12.1092 -12.0978 -12.0978 -12.0937 -12.0937 -12.0860 -12.0860 -12.0706 -12.0706 -5.4346 -5.4346 -4.7830 -4.7830 -4.4773 -4.4773 -4.2252 -4.2252 -2.0372 -2.0372 -2.0297 -2.0297 -1.5729 -1.5729 -1.4522 -1.4522 -1.4412 -1.4412 -1.3257 -1.3257 -1.2729 -1.2729 -1.0616 -1.0616 -1.0494 -1.0494 -0.9920 -0.9920 -0.9416 -0.9416 -0.8471 -0.8471 4.5082 4.5082 4.8476 4.8476 4.9917 4.9917 5.0312 5.0312 5.0985 5.0985 5.1957 5.1957 k = 0.0000 0.0721-0.0000 ( 13558 PWs) bands (ev): -28.6898 -28.6898 -28.6875 -28.6875 -28.6869 -28.6869 -28.6864 -28.6864 -12.3779 -12.3779 -12.3749 -12.3749 -12.3740 -12.3740 -12.3505 -12.3505 -12.1278 -12.1278 -12.1210 -12.1210 -12.1180 -12.1180 -12.1093 -12.1093 -12.0975 -12.0975 -12.0937 -12.0937 -12.0861 -12.0861 -12.0704 -12.0704 -5.4426 -5.4426 -4.7786 -4.7786 -4.4766 -4.4766 -4.2225 -4.2225 -2.0347 -2.0347 -2.0337 -2.0337 -1.5645 -1.5645 -1.4559 -1.4559 -1.4452 -1.4452 -1.3322 -1.3322 -1.2802 -1.2802 -1.0567 -1.0567 -1.0352 -1.0352 -0.9859 -0.9859 -0.9453 -0.9453 -0.8477 -0.8477 4.4876 4.4876 4.8618 4.8618 4.9865 4.9865 5.0527 5.0527 5.0993 5.0993 5.1870 5.1870 k = 0.0000 0.0541-0.0000 ( 13555 PWs) bands (ev): -28.6899 -28.6899 -28.6875 -28.6875 -28.6869 -28.6869 -28.6864 -28.6864 -12.3778 -12.3778 -12.3749 -12.3749 -12.3742 -12.3742 -12.3503 -12.3503 -12.1280 -12.1280 -12.1207 -12.1207 -12.1182 -12.1182 -12.1094 -12.1094 -12.0973 -12.0973 -12.0937 -12.0937 -12.0861 -12.0861 -12.0702 -12.0702 -5.4488 -5.4488 -4.7753 -4.7753 -4.4759 -4.4759 -4.2205 -4.2205 -2.0386 -2.0386 -2.0308 -2.0308 -1.5575 -1.5575 -1.4588 -1.4588 -1.4484 -1.4484 -1.3375 -1.3375 -1.2862 -1.2862 -1.0528 -1.0528 -1.0237 -1.0237 -0.9811 -0.9811 -0.9483 -0.9483 -0.8484 -0.8484 4.4715 4.4715 4.8729 4.8729 4.9806 4.9806 5.0730 5.0730 5.1019 5.1019 5.1800 5.1800 k = 0.0000 0.0361-0.0000 ( 13527 PWs) bands (ev): -28.6899 -28.6899 -28.6875 -28.6875 -28.6869 -28.6869 -28.6864 -28.6864 -12.3776 -12.3776 -12.3751 -12.3751 -12.3743 -12.3743 -12.3502 -12.3502 -12.1281 -12.1281 -12.1205 -12.1205 -12.1183 -12.1183 -12.1094 -12.1094 -12.0972 -12.0972 -12.0937 -12.0937 -12.0861 -12.0861 -12.0701 -12.0701 -5.4533 -5.4533 -4.7731 -4.7731 -4.4752 -4.4752 -4.2190 -4.2190 -2.0415 -2.0415 -2.0285 -2.0285 -1.5522 -1.5522 -1.4609 -1.4609 -1.4507 -1.4507 -1.3416 -1.3416 -1.2906 -1.2906 -1.0500 -1.0500 -1.0153 -1.0153 -0.9776 -0.9776 -0.9505 -0.9505 -0.8490 -0.8490 4.4599 4.4599 4.8807 4.8807 4.9762 4.9762 5.0887 5.0887 5.1048 5.1048 5.1749 5.1749 k = 0.0000 0.0180-0.0000 ( 13529 PWs) bands (ev): -28.6899 -28.6899 -28.6874 -28.6874 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3752 -12.3752 -12.3743 -12.3743 -12.3501 -12.3501 -12.1281 -12.1281 -12.1204 -12.1204 -12.1185 -12.1185 -12.1095 -12.1095 -12.0971 -12.0971 -12.0937 -12.0937 -12.0862 -12.0862 -12.0700 -12.0700 -5.4559 -5.4559 -4.7718 -4.7718 -4.4748 -4.4748 -4.2181 -4.2181 -2.0433 -2.0433 -2.0271 -2.0271 -1.5489 -1.5489 -1.4621 -1.4621 -1.4521 -1.4521 -1.3441 -1.3441 -1.2934 -1.2934 -1.0484 -1.0484 -1.0102 -1.0102 -0.9755 -0.9755 -0.9518 -0.9518 -0.8495 -0.8495 4.4529 4.4529 4.8854 4.8854 4.9735 4.9735 5.0986 5.0986 5.1072 5.1072 5.1717 5.1717 k = 0.0000 0.0000 0.0000 ( 13523 PWs) bands (ev): -28.6899 -28.6899 -28.6874 -28.6874 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3753 -12.3753 -12.3743 -12.3743 -12.3500 -12.3500 -12.1282 -12.1282 -12.1203 -12.1203 -12.1185 -12.1185 -12.1095 -12.1095 -12.0971 -12.0971 -12.0937 -12.0937 -12.0862 -12.0862 -12.0700 -12.0700 -5.4568 -5.4568 -4.7714 -4.7714 -4.4746 -4.4746 -4.2178 -4.2178 -2.0438 -2.0438 -2.0266 -2.0266 -1.5478 -1.5478 -1.4626 -1.4626 -1.4525 -1.4525 -1.3449 -1.3449 -1.2943 -1.2943 -1.0478 -1.0478 -1.0085 -1.0085 -0.9748 -0.9748 -0.9522 -0.9522 -0.8497 -0.8497 4.4505 4.4505 4.8870 4.8870 4.9726 4.9726 5.1019 5.1019 5.1081 5.1081 5.1707 5.1707 k = 0.0000 0.0000 0.0000 ( 13523 PWs) bands (ev): -28.6899 -28.6899 -28.6874 -28.6874 -28.6869 -28.6869 -28.6864 -28.6864 -12.3775 -12.3775 -12.3753 -12.3753 -12.3743 -12.3743 -12.3500 -12.3500 -12.1282 -12.1282 -12.1203 -12.1203 -12.1185 -12.1185 -12.1095 -12.1095 -12.0971 -12.0971 -12.0937 -12.0937 -12.0862 -12.0862 -12.0700 -12.0700 -5.4568 -5.4568 -4.7714 -4.7714 -4.4746 -4.4746 -4.2178 -4.2178 -2.0438 -2.0438 -2.0266 -2.0266 -1.5478 -1.5478 -1.4626 -1.4626 -1.4525 -1.4525 -1.3449 -1.3449 -1.2943 -1.2943 -1.0478 -1.0478 -1.0085 -1.0085 -0.9748 -0.9748 -0.9522 -0.9522 -0.8497 -0.8497 4.4505 4.4505 4.8870 4.8870 4.9726 4.9726 5.1019 5.1019 5.1081 5.1081 5.1707 5.1707 k = 0.0000 0.0000 0.0184 ( 13526 PWs) bands (ev): -28.6899 -28.6899 -28.6874 -28.6874 -28.6869 -28.6869 -28.6864 -28.6864 -12.3776 -12.3776 -12.3752 -12.3752 -12.3743 -12.3743 -12.3501 -12.3501 -12.1282 -12.1282 -12.1203 -12.1203 -12.1184 -12.1184 -12.1095 -12.1095 -12.0970 -12.0970 -12.0937 -12.0937 -12.0862 -12.0862 -12.0701 -12.0701 -5.4559 -5.4559 -4.7734 -4.7734 -4.4741 -4.4741 -4.2180 -4.2180 -2.0493 -2.0493 -2.0185 -2.0185 -1.5502 -1.5502 -1.4626 -1.4626 -1.4526 -1.4526 -1.3437 -1.3437 -1.2931 -1.2931 -1.0476 -1.0476 -1.0084 -1.0084 -0.9750 -0.9750 -0.9542 -0.9542 -0.8493 -0.8493 4.4517 4.4517 4.8879 4.8879 4.9682 4.9682 5.0925 5.0925 5.1120 5.1120 5.1690 5.1690 k = 0.0000 0.0000 0.0369 ( 13540 PWs) bands (ev): -28.6899 -28.6899 -28.6874 -28.6874 -28.6870 -28.6870 -28.6864 -28.6864 -12.3777 -12.3777 -12.3751 -12.3751 -12.3741 -12.3741 -12.3502 -12.3502 -12.1283 -12.1283 -12.1201 -12.1201 -12.1182 -12.1182 -12.1096 -12.1096 -12.0969 -12.0969 -12.0937 -12.0937 -12.0864 -12.0864 -12.0703 -12.0703 -5.4529 -5.4529 -4.7791 -4.7791 -4.4725 -4.4725 -4.2187 -4.2187 -2.0569 -2.0569 -2.0030 -2.0030 -1.5574 -1.5574 -1.4625 -1.4625 -1.4526 -1.4526 -1.3401 -1.3401 -1.2896 -1.2896 -1.0472 -1.0472 -1.0083 -1.0083 -0.9754 -0.9754 -0.9601 -0.9601 -0.8484 -0.8484 4.4551 4.4551 4.8904 4.8904 4.9554 4.9554 5.0701 5.0701 5.1197 5.1197 5.1640 5.1640 k = 0.0000 0.0000 0.0553 ( 13548 PWs) bands (ev): -28.6898 -28.6898 -28.6874 -28.6874 -28.6870 -28.6870 -28.6864 -28.6864 -12.3779 -12.3779 -12.3750 -12.3750 -12.3737 -12.3737 -12.3504 -12.3504 -12.1283 -12.1283 -12.1198 -12.1198 -12.1179 -12.1179 -12.1097 -12.1097 -12.0968 -12.0968 -12.0937 -12.0937 -12.0867 -12.0867 -12.0708 -12.0708 -5.4480 -5.4480 -4.7886 -4.7886 -4.4699 -4.4699 -4.2200 -4.2200 -2.0627 -2.0627 -1.9841 -1.9841 -1.5688 -1.5688 -1.4624 -1.4624 -1.4528 -1.4528 -1.3342 -1.3342 -1.2843 -1.2843 -1.0465 -1.0465 -1.0080 -1.0080 -0.9765 -0.9765 -0.9692 -0.9692 -0.8471 -0.8471 4.4608 4.4608 4.8938 4.8938 4.9357 4.9357 5.0395 5.0395 5.1313 5.1313 5.1558 5.1558 k = 0.0000 0.0000 0.0738 ( 13554 PWs) bands (ev): -28.6898 -28.6898 -28.6874 -28.6874 -28.6871 -28.6871 -28.6864 -28.6864 -12.3781 -12.3781 -12.3750 -12.3750 -12.3732 -12.3732 -12.3506 -12.3506 -12.1284 -12.1284 -12.1194 -12.1194 -12.1175 -12.1175 -12.1097 -12.1097 -12.0966 -12.0966 -12.0937 -12.0937 -12.0871 -12.0871 -12.0714 -12.0714 -5.4411 -5.4411 -4.8015 -4.8015 -4.4663 -4.4663 -4.2218 -4.2218 -2.0663 -2.0663 -1.9623 -1.9623 -1.5837 -1.5837 -1.4623 -1.4623 -1.4529 -1.4529 -1.3262 -1.3262 -1.2777 -1.2777 -1.0456 -1.0456 -1.0077 -1.0077 -0.9834 -0.9834 -0.9760 -0.9760 -0.8459 -0.8459 4.4688 4.4688 4.8956 4.8956 4.9108 4.9108 5.0069 5.0069 5.1443 5.1443 5.1467 5.1467 k = 0.0000 0.0000 0.0922 ( 13560 PWs) bands (ev): -28.6898 -28.6898 -28.6874 -28.6874 -28.6871 -28.6871 -28.6864 -28.6864 -12.3782 -12.3782 -12.3751 -12.3751 -12.3725 -12.3725 -12.3509 -12.3509 -12.1285 -12.1285 -12.1189 -12.1189 -12.1172 -12.1172 -12.1096 -12.1096 -12.0963 -12.0963 -12.0938 -12.0938 -12.0877 -12.0877 -12.0721 -12.0721 -5.4324 -5.4324 -4.8177 -4.8177 -4.4617 -4.4617 -4.2244 -4.2244 -2.0676 -2.0676 -1.9378 -1.9378 -1.6016 -1.6016 -1.4622 -1.4622 -1.4531 -1.4531 -1.3162 -1.3162 -1.2705 -1.2705 -1.0444 -1.0444 -1.0074 -1.0074 -0.9985 -0.9985 -0.9777 -0.9777 -0.8450 -0.8450 4.4790 4.4790 4.8824 4.8824 4.8899 4.8899 4.9818 4.9818 5.1299 5.1299 5.1653 5.1653 k = 0.0000 0.0000 0.1107 ( 13562 PWs) bands (ev): -28.6897 -28.6897 -28.6874 -28.6874 -28.6872 -28.6872 -28.6864 -28.6864 -12.3783 -12.3783 -12.3752 -12.3752 -12.3718 -12.3718 -12.3513 -12.3513 -12.1285 -12.1285 -12.1182 -12.1182 -12.1170 -12.1170 -12.1094 -12.1094 -12.0961 -12.0961 -12.0939 -12.0939 -12.0883 -12.0883 -12.0730 -12.0730 -5.4217 -5.4217 -4.8366 -4.8366 -4.4561 -4.4561 -4.2277 -4.2277 -2.0666 -2.0666 -1.9108 -1.9108 -1.6217 -1.6217 -1.4620 -1.4620 -1.4534 -1.4534 -1.3045 -1.3045 -1.2632 -1.2632 -1.0429 -1.0429 -1.0177 -1.0177 -1.0056 -1.0056 -0.9792 -0.9792 -0.8448 -0.8448 4.4914 4.4914 4.8527 4.8527 4.8692 4.8692 4.9739 4.9739 5.1127 5.1127 5.1860 5.1860 k = 0.0000 0.0000 0.1291 ( 13566 PWs) bands (ev): -28.6897 -28.6897 -28.6873 -28.6873 -28.6873 -28.6873 -28.6864 -28.6864 -12.3784 -12.3784 -12.3753 -12.3753 -12.3710 -12.3710 -12.3517 -12.3517 -12.1285 -12.1285 -12.1175 -12.1175 -12.1170 -12.1170 -12.1089 -12.1089 -12.0958 -12.0958 -12.0940 -12.0940 -12.0890 -12.0890 -12.0740 -12.0740 -5.4092 -5.4092 -4.8581 -4.8581 -4.4496 -4.4496 -4.2320 -4.2320 -2.0635 -2.0635 -1.8813 -1.8813 -1.6436 -1.6436 -1.4618 -1.4618 -1.4536 -1.4536 -1.2915 -1.2915 -1.2564 -1.2564 -1.0416 -1.0416 -1.0378 -1.0378 -1.0046 -1.0046 -0.9809 -0.9809 -0.8454 -0.8454 4.5058 4.5058 4.8225 4.8225 4.8378 4.8378 4.9804 4.9804 5.0928 5.0928 5.2076 5.2076 k = 0.0000 0.0000 0.1476 ( 13574 PWs) bands (ev): -28.6896 -28.6896 -28.6874 -28.6874 -28.6873 -28.6873 -28.6864 -28.6864 -12.3785 -12.3785 -12.3754 -12.3754 -12.3701 -12.3701 -12.3522 -12.3522 -12.1284 -12.1284 -12.1172 -12.1172 -12.1166 -12.1166 -12.1081 -12.1081 -12.0955 -12.0955 -12.0941 -12.0941 -12.0897 -12.0897 -12.0752 -12.0752 -5.3949 -5.3949 -4.8818 -4.8818 -4.4422 -4.4422 -4.2372 -4.2372 -2.0582 -2.0582 -1.8496 -1.8496 -1.6668 -1.6668 -1.4616 -1.4616 -1.4539 -1.4539 -1.2775 -1.2775 -1.2505 -1.2505 -1.0610 -1.0610 -1.0391 -1.0391 -1.0030 -1.0030 -0.9827 -0.9827 -0.8470 -0.8470 4.5224 4.5224 4.7931 4.7931 4.8037 4.8037 4.9938 4.9938 5.0706 5.0706 5.2279 5.2279 k = 0.0000 0.0000 0.1660 ( 13582 PWs) bands (ev): -28.6895 -28.6895 -28.6875 -28.6875 -28.6873 -28.6873 -28.6864 -28.6864 -12.3785 -12.3785 -12.3756 -12.3756 -12.3692 -12.3692 -12.3528 -12.3528 -12.1282 -12.1282 -12.1176 -12.1176 -12.1157 -12.1157 -12.1070 -12.1070 -12.0953 -12.0953 -12.0944 -12.0944 -12.0905 -12.0905 -12.0765 -12.0765 -5.3788 -5.3788 -4.9073 -4.9073 -4.4340 -4.4340 -4.2434 -4.2434 -2.0509 -2.0509 -1.8157 -1.8157 -1.6910 -1.6910 -1.4613 -1.4613 -1.4543 -1.4543 -1.2629 -1.2629 -1.2464 -1.2464 -1.0847 -1.0847 -1.0370 -1.0370 -1.0008 -1.0008 -0.9847 -0.9847 -0.8498 -0.8498 4.5409 4.5409 4.7653 4.7653 4.7708 4.7708 5.0102 5.0102 5.0462 5.0462 5.2448 5.2448 k = 0.0000 0.0000 0.1845 ( 13578 PWs) bands (ev): -28.6894 -28.6894 -28.6876 -28.6876 -28.6872 -28.6872 -28.6864 -28.6864 -12.3784 -12.3784 -12.3757 -12.3757 -12.3683 -12.3683 -12.3534 -12.3534 -12.1280 -12.1280 -12.1181 -12.1181 -12.1146 -12.1146 -12.1058 -12.1058 -12.0950 -12.0950 -12.0947 -12.0947 -12.0912 -12.0912 -12.0779 -12.0779 -5.3610 -5.3610 -4.9342 -4.9342 -4.4250 -4.4250 -4.2506 -4.2506 -2.0417 -2.0417 -1.7800 -1.7800 -1.7158 -1.7158 -1.4610 -1.4610 -1.4547 -1.4547 -1.2488 -1.2488 -1.2446 -1.2446 -1.1084 -1.1084 -1.0346 -1.0346 -0.9979 -0.9979 -0.9867 -0.9867 -0.8539 -0.8539 4.5612 4.5612 4.7395 4.7395 4.7409 4.7409 5.0200 5.0200 5.0269 5.0269 5.2572 5.2572 k = 0.0000 0.0000 0.2029 ( 13574 PWs) bands (ev): -28.6893 -28.6893 -28.6877 -28.6877 -28.6872 -28.6872 -28.6865 -28.6865 -12.3784 -12.3784 -12.3759 -12.3759 -12.3673 -12.3673 -12.3541 -12.3541 -12.1277 -12.1277 -12.1188 -12.1188 -12.1135 -12.1135 -12.1045 -12.1045 -12.0953 -12.0953 -12.0947 -12.0947 -12.0917 -12.0917 -12.0794 -12.0794 -5.3416 -5.3416 -4.9623 -4.9623 -4.4153 -4.4153 -4.2587 -4.2587 -2.0307 -2.0307 -1.7428 -1.7428 -1.7407 -1.7407 -1.4607 -1.4607 -1.4550 -1.4550 -1.2494 -1.2494 -1.2333 -1.2333 -1.1300 -1.1300 -1.0321 -1.0321 -0.9950 -0.9950 -0.9880 -0.9880 -0.8594 -0.8594 4.5834 4.5834 4.7145 4.7145 4.7163 4.7163 4.9923 4.9923 5.0415 5.0415 5.2665 5.2665 k = 0.0000 0.0000 0.2214 ( 13570 PWs) bands (ev): -28.6892 -28.6892 -28.6878 -28.6878 -28.6871 -28.6871 -28.6865 -28.6865 -12.3783 -12.3783 -12.3760 -12.3760 -12.3663 -12.3663 -12.3548 -12.3548 -12.1274 -12.1274 -12.1195 -12.1195 -12.1123 -12.1123 -12.1030 -12.1030 -12.0960 -12.0960 -12.0945 -12.0945 -12.0922 -12.0922 -12.0810 -12.0810 -5.3207 -5.3207 -4.9912 -4.9912 -4.4049 -4.4049 -4.2677 -4.2677 -2.0179 -2.0179 -1.7663 -1.7663 -1.7037 -1.7037 -1.4604 -1.4604 -1.4554 -1.4554 -1.2604 -1.2604 -1.2198 -1.2198 -1.1470 -1.1470 -1.0294 -1.0294 -0.9944 -0.9944 -0.9859 -0.9859 -0.8662 -0.8662 4.6072 4.6072 4.6921 4.6921 4.6959 4.6959 4.9632 4.9632 5.0519 5.0519 5.2438 5.2438 k = 0.0000 0.0000 0.2398 ( 13556 PWs) bands (ev): -28.6891 -28.6891 -28.6879 -28.6879 -28.6871 -28.6871 -28.6865 -28.6865 -12.3781 -12.3781 -12.3762 -12.3762 -12.3653 -12.3653 -12.3556 -12.3556 -12.1270 -12.1270 -12.1202 -12.1202 -12.1111 -12.1111 -12.1016 -12.1016 -12.0969 -12.0969 -12.0942 -12.0942 -12.0925 -12.0925 -12.0826 -12.0826 -5.2983 -5.2983 -5.0207 -5.0207 -4.3940 -4.3940 -4.2775 -4.2775 -2.0035 -2.0035 -1.7915 -1.7915 -1.6636 -1.6636 -1.4600 -1.4600 -1.4558 -1.4558 -1.2803 -1.2803 -1.2074 -1.2074 -1.1578 -1.1578 -1.0266 -1.0266 -0.9964 -0.9964 -0.9801 -0.9801 -0.8743 -0.8743 4.6325 4.6325 4.6738 4.6738 4.6785 4.6785 4.9331 4.9331 5.0568 5.0568 5.2011 5.2011 k = 0.0000 0.0000 0.2582 ( 13532 PWs) bands (ev): -28.6890 -28.6890 -28.6881 -28.6881 -28.6870 -28.6870 -28.6866 -28.6866 -12.3780 -12.3780 -12.3764 -12.3764 -12.3642 -12.3642 -12.3564 -12.3564 -12.1265 -12.1265 -12.1210 -12.1210 -12.1098 -12.1098 -12.1005 -12.1005 -12.0974 -12.0974 -12.0940 -12.0940 -12.0927 -12.0927 -12.0843 -12.0843 -5.2745 -5.2745 -5.0505 -5.0505 -4.3826 -4.3826 -4.2880 -4.2880 -1.9875 -1.9875 -1.8164 -1.8164 -1.6227 -1.6227 -1.4596 -1.4596 -1.4563 -1.4563 -1.3079 -1.3079 -1.1967 -1.1967 -1.1635 -1.1635 -1.0236 -1.0236 -0.9990 -0.9990 -0.9724 -0.9724 -0.8836 -0.8836 4.6581 4.6581 4.6603 4.6603 4.6643 4.6643 4.9023 4.9023 5.0574 5.0574 5.1632 5.1632 k = 0.0000 0.0000 0.2767 ( 13538 PWs) bands (ev): -28.6889 -28.6889 -28.6882 -28.6882 -28.6869 -28.6869 -28.6866 -28.6866 -12.3778 -12.3778 -12.3766 -12.3766 -12.3632 -12.3632 -12.3573 -12.3573 -12.1259 -12.1259 -12.1218 -12.1218 -12.1084 -12.1084 -12.1006 -12.1006 -12.0969 -12.0969 -12.0938 -12.0938 -12.0928 -12.0928 -12.0861 -12.0861 -5.2495 -5.2495 -5.0804 -5.0804 -4.3709 -4.3709 -4.2991 -4.2991 -1.9700 -1.9700 -1.8409 -1.8409 -1.5813 -1.5813 -1.4592 -1.4592 -1.4567 -1.4567 -1.3409 -1.3409 -1.1878 -1.1878 -1.1663 -1.1663 -1.0206 -1.0206 -1.0019 -1.0019 -0.9632 -0.9632 -0.8941 -0.8941 4.6486 4.6486 4.6528 4.6528 4.6873 4.6873 4.8711 4.8711 5.0564 5.0564 5.1307 5.1307 k = 0.0000 0.0000 0.2951 ( 13536 PWs) bands (ev): -28.6888 -28.6888 -28.6883 -28.6883 -28.6869 -28.6869 -28.6867 -28.6867 -12.3776 -12.3776 -12.3768 -12.3768 -12.3621 -12.3621 -12.3582 -12.3582 -12.1254 -12.1254 -12.1225 -12.1225 -12.1070 -12.1070 -12.1016 -12.1016 -12.0956 -12.0956 -12.0936 -12.0936 -12.0928 -12.0928 -12.0878 -12.0878 -5.2233 -5.2233 -5.1100 -5.1100 -4.3589 -4.3589 -4.3106 -4.3106 -1.9512 -1.9512 -1.8647 -1.8647 -1.5396 -1.5396 -1.4588 -1.4588 -1.4572 -1.4572 -1.3774 -1.3774 -1.1808 -1.1808 -1.1679 -1.1679 -1.0175 -1.0175 -1.0049 -1.0049 -0.9527 -0.9527 -0.9054 -0.9054 4.6414 4.6414 4.6445 4.6445 4.7164 4.7164 4.8396 4.8396 5.0567 5.0567 5.1041 5.1041 k = 0.0000 0.0000 0.3136 ( 13534 PWs) bands (ev): -28.6887 -28.6887 -28.6884 -28.6884 -28.6868 -28.6868 -28.6867 -28.6867 -12.3775 -12.3775 -12.3770 -12.3770 -12.3611 -12.3611 -12.3592 -12.3592 -12.1247 -12.1247 -12.1233 -12.1233 -12.1056 -12.1056 -12.1029 -12.1029 -12.0945 -12.0945 -12.0936 -12.0936 -12.0924 -12.0924 -12.0896 -12.0896 -5.1962 -5.1962 -5.1393 -5.1393 -4.3468 -4.3468 -4.3225 -4.3225 -1.9312 -1.9312 -1.8878 -1.8878 -1.4980 -1.4980 -1.4584 -1.4584 -1.4576 -1.4576 -1.4161 -1.4161 -1.1756 -1.1756 -1.1696 -1.1696 -1.0144 -1.0144 -1.0080 -1.0080 -0.9413 -0.9413 -0.9173 -0.9173 4.6376 4.6376 4.6392 4.6392 4.7463 4.7463 4.8082 4.8082 5.0604 5.0604 5.0835 5.0835 k = 0.0000 0.0000 0.3320 ( 13528 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3773 -12.3773 -12.3772 -12.3772 -12.3601 -12.3601 -12.3601 -12.3601 -12.1240 -12.1240 -12.1240 -12.1240 -12.1043 -12.1043 -12.1042 -12.1042 -12.0938 -12.0938 -12.0938 -12.0938 -12.0912 -12.0912 -12.0912 -12.0912 -5.1681 -5.1681 -5.1681 -5.1681 -4.3346 -4.3346 -4.3346 -4.3346 -1.9100 -1.9100 -1.9100 -1.9100 -1.4603 -1.4603 -1.4603 -1.4603 -1.4543 -1.4543 -1.4543 -1.4543 -1.1720 -1.1720 -1.1719 -1.1719 -1.0112 -1.0112 -1.0112 -1.0112 -0.9294 -0.9294 -0.9294 -0.9294 4.6369 4.6369 4.6369 4.6369 4.7770 4.7770 4.7770 4.7770 5.0691 5.0691 5.0691 5.0691 k = 0.0000 0.0000 0.3320 ( 13528 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3773 -12.3773 -12.3772 -12.3772 -12.3601 -12.3601 -12.3601 -12.3601 -12.1240 -12.1240 -12.1240 -12.1240 -12.1043 -12.1043 -12.1042 -12.1042 -12.0938 -12.0938 -12.0938 -12.0938 -12.0912 -12.0912 -12.0912 -12.0912 -5.1681 -5.1681 -5.1681 -5.1681 -4.3346 -4.3346 -4.3346 -4.3346 -1.9100 -1.9100 -1.9100 -1.9100 -1.4603 -1.4603 -1.4603 -1.4603 -1.4543 -1.4543 -1.4543 -1.4543 -1.1720 -1.1720 -1.1719 -1.1719 -1.0112 -1.0112 -1.0112 -1.0112 -0.9294 -0.9294 -0.9294 -0.9294 4.6369 4.6369 4.6369 4.6369 4.7770 4.7770 4.7770 4.7770 5.0691 5.0691 5.0691 5.0691 k = 0.0185-0.0000 0.3320 ( 13540 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3773 -12.3773 -12.3772 -12.3772 -12.3602 -12.3602 -12.3601 -12.3601 -12.1242 -12.1242 -12.1238 -12.1238 -12.1043 -12.1043 -12.1042 -12.1042 -12.0942 -12.0942 -12.0936 -12.0936 -12.0914 -12.0914 -12.0910 -12.0910 -5.1673 -5.1673 -5.1673 -5.1673 -4.3350 -4.3350 -4.3350 -4.3350 -1.9094 -1.9094 -1.9094 -1.9094 -1.4734 -1.4734 -1.4709 -1.4709 -1.4461 -1.4461 -1.4433 -1.4433 -1.1721 -1.1721 -1.1712 -1.1712 -1.0125 -1.0125 -1.0112 -1.0112 -0.9295 -0.9295 -0.9288 -0.9288 4.6360 4.6360 4.6366 4.6366 4.7791 4.7791 4.7797 4.7797 5.0697 5.0697 5.0698 5.0698 k = 0.0370-0.0000 0.3320 ( 13516 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3772 -12.3772 -12.3772 -12.3772 -12.3602 -12.3602 -12.3602 -12.3602 -12.1244 -12.1244 -12.1236 -12.1236 -12.1043 -12.1043 -12.1042 -12.1042 -12.0946 -12.0946 -12.0934 -12.0934 -12.0915 -12.0915 -12.0908 -12.0908 -5.1649 -5.1649 -5.1649 -5.1649 -4.3362 -4.3362 -4.3361 -4.3361 -1.9076 -1.9076 -1.9075 -1.9075 -1.4899 -1.4899 -1.4877 -1.4877 -1.4359 -1.4359 -1.4330 -1.4330 -1.1717 -1.1717 -1.1699 -1.1699 -1.0150 -1.0150 -1.0123 -1.0123 -0.9292 -0.9292 -0.9279 -0.9279 4.6342 4.6342 4.6354 4.6354 4.7860 4.7860 4.7870 4.7870 5.0715 5.0715 5.0717 5.0717 k = 0.0556-0.0000 0.3320 ( 13530 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3772 -12.3772 -12.3771 -12.3771 -12.3604 -12.3604 -12.3603 -12.3603 -12.1245 -12.1245 -12.1233 -12.1233 -12.1044 -12.1044 -12.1042 -12.1042 -12.0951 -12.0951 -12.0934 -12.0934 -12.0915 -12.0915 -12.0906 -12.0906 -5.1608 -5.1608 -5.1608 -5.1608 -4.3383 -4.3383 -4.3381 -4.3381 -1.9046 -1.9046 -1.9045 -1.9045 -1.5087 -1.5087 -1.5067 -1.5067 -1.4274 -1.4274 -1.4245 -1.4245 -1.1716 -1.1716 -1.1691 -1.1691 -1.0178 -1.0178 -1.0142 -1.0142 -0.9287 -0.9287 -0.9271 -0.9271 4.6323 4.6323 4.6339 4.6339 4.7969 4.7969 4.7983 4.7983 5.0745 5.0745 5.0747 5.0747 k = 0.0741-0.0000 0.3320 ( 13548 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3772 -12.3772 -12.3770 -12.3770 -12.3605 -12.3605 -12.3604 -12.3604 -12.1246 -12.1246 -12.1231 -12.1231 -12.1044 -12.1044 -12.1042 -12.1042 -12.0956 -12.0956 -12.0935 -12.0935 -12.0914 -12.0914 -12.0904 -12.0904 -5.1552 -5.1552 -5.1552 -5.1552 -4.3412 -4.3412 -4.3410 -4.3410 -1.9004 -1.9004 -1.9002 -1.9002 -1.5292 -1.5292 -1.5274 -1.5274 -1.4203 -1.4203 -1.4174 -1.4174 -1.1726 -1.1726 -1.1696 -1.1696 -1.0203 -1.0203 -1.0159 -1.0159 -0.9284 -0.9284 -0.9265 -0.9265 4.6311 4.6311 4.6331 4.6331 4.8113 4.8113 4.8130 4.8130 5.0783 5.0783 5.0787 5.0787 k = 0.0926-0.0000 0.3320 ( 13548 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3771 -12.3771 -12.3770 -12.3770 -12.3607 -12.3607 -12.3606 -12.3606 -12.1248 -12.1248 -12.1228 -12.1228 -12.1045 -12.1045 -12.1043 -12.1043 -12.0961 -12.0961 -12.0937 -12.0937 -12.0912 -12.0912 -12.0903 -12.0903 -5.1480 -5.1480 -5.1480 -5.1480 -4.3450 -4.3450 -4.3447 -4.3447 -1.8950 -1.8950 -1.8948 -1.8948 -1.5511 -1.5511 -1.5496 -1.5496 -1.4142 -1.4142 -1.4115 -1.4115 -1.1757 -1.1757 -1.1724 -1.1724 -1.0217 -1.0217 -1.0167 -1.0167 -0.9286 -0.9286 -0.9264 -0.9264 4.6314 4.6314 4.6335 4.6335 4.8286 4.8286 4.8304 4.8304 5.0829 5.0829 5.0833 5.0833 k = 0.1111-0.0000 0.3320 ( 13554 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3770 -12.3770 -12.3769 -12.3769 -12.3610 -12.3610 -12.3608 -12.3608 -12.1248 -12.1248 -12.1225 -12.1225 -12.1045 -12.1045 -12.1044 -12.1044 -12.0967 -12.0967 -12.0940 -12.0940 -12.0911 -12.0911 -12.0902 -12.0902 -5.1393 -5.1393 -5.1392 -5.1392 -4.3497 -4.3497 -4.3493 -4.3493 -1.8885 -1.8885 -1.8883 -1.8883 -1.5739 -1.5739 -1.5726 -1.5726 -1.4089 -1.4089 -1.4064 -1.4064 -1.1816 -1.1816 -1.1783 -1.1783 -1.0214 -1.0214 -1.0162 -1.0162 -0.9294 -0.9294 -0.9271 -0.9271 4.6335 4.6335 4.6359 4.6359 4.8485 4.8485 4.8504 4.8504 5.0880 5.0880 5.0884 5.0884 k = 0.1296-0.0000 0.3320 ( 13550 PWs) bands (ev): -28.6885 -28.6885 -28.6884 -28.6884 -28.6868 -28.6868 -28.6868 -28.6868 -12.3769 -12.3769 -12.3767 -12.3767 -12.3612 -12.3612 -12.3610 -12.3610 -12.1249 -12.1249 -12.1222 -12.1222 -12.1046 -12.1046 -12.1045 -12.1045 -12.0973 -12.0973 -12.0942 -12.0942 -12.0909 -12.0909 -12.0902 -12.0902 -5.1290 -5.1290 -5.1289 -5.1289 -4.3553 -4.3553 -4.3549 -4.3549 -1.8809 -1.8809 -1.8807 -1.8807 -1.5973 -1.5973 -1.5962 -1.5962 -1.4044 -1.4044 -1.4021 -1.4021 -1.1904 -1.1904 -1.1875 -1.1875 -1.0194 -1.0194 -1.0143 -1.0143 -0.9310 -0.9310 -0.9287 -0.9287 4.6380 4.6380 4.6405 4.6405 4.8709 4.8709 4.8727 4.8727 5.0935 5.0935 5.0939 5.0939 k = 0.1481-0.0000 0.3320 ( 13574 PWs) bands (ev): -28.6884 -28.6884 -28.6884 -28.6884 -28.6869 -28.6869 -28.6869 -28.6869 -12.3768 -12.3768 -12.3766 -12.3766 -12.3615 -12.3615 -12.3613 -12.3613 -12.1249 -12.1249 -12.1219 -12.1219 -12.1049 -12.1049 -12.1045 -12.1045 -12.0979 -12.0979 -12.0945 -12.0945 -12.0908 -12.0908 -12.0902 -12.0902 -5.1172 -5.1172 -5.1172 -5.1172 -4.3619 -4.3619 -4.3614 -4.3614 -1.8723 -1.8723 -1.8720 -1.8720 -1.6208 -1.6208 -1.6198 -1.6198 -1.4006 -1.4006 -1.3985 -1.3985 -1.2021 -1.2021 -1.1996 -1.1996 -1.0160 -1.0160 -1.0111 -1.0111 -0.9337 -0.9337 -0.9313 -0.9313 4.6449 4.6449 4.6476 4.6476 4.8956 4.8956 4.8974 4.8974 5.0993 5.0993 5.0997 5.0997 k = 0.1667-0.0000 0.3320 ( 13558 PWs) bands (ev): -28.6884 -28.6884 -28.6884 -28.6884 -28.6869 -28.6869 -28.6869 -28.6869 -12.3767 -12.3767 -12.3764 -12.3764 -12.3619 -12.3619 -12.3616 -12.3616 -12.1249 -12.1249 -12.1216 -12.1216 -12.1052 -12.1052 -12.1046 -12.1046 -12.0984 -12.0984 -12.0946 -12.0946 -12.0907 -12.0907 -12.0902 -12.0902 -5.1040 -5.1040 -5.1039 -5.1039 -4.3695 -4.3695 -4.3690 -4.3690 -1.8627 -1.8627 -1.8624 -1.8624 -1.6440 -1.6440 -1.6431 -1.6431 -1.3974 -1.3974 -1.3956 -1.3956 -1.2160 -1.2160 -1.2141 -1.2141 -1.0119 -1.0118 -1.0073 -1.0073 -0.9373 -0.9373 -0.9349 -0.9349 4.6544 4.6544 4.6573 4.6573 4.9228 4.9228 4.9245 4.9245 5.1055 5.1055 5.1060 5.1060 k = 0.1852-0.0000 0.3320 ( 13562 PWs) bands (ev): -28.6884 -28.6884 -28.6884 -28.6884 -28.6869 -28.6869 -28.6869 -28.6869 -12.3765 -12.3765 -12.3762 -12.3762 -12.3622 -12.3622 -12.3620 -12.3620 -12.1248 -12.1248 -12.1213 -12.1213 -12.1056 -12.1056 -12.1046 -12.1046 -12.0990 -12.0990 -12.0948 -12.0948 -12.0906 -12.0906 -12.0903 -12.0903 -5.0894 -5.0894 -5.0893 -5.0893 -4.3782 -4.3782 -4.3777 -4.3777 -1.8523 -1.8523 -1.8520 -1.8520 -1.6666 -1.6666 -1.6658 -1.6658 -1.3951 -1.3951 -1.3936 -1.3936 -1.2314 -1.2314 -1.2302 -1.2302 -1.0074 -1.0074 -1.0031 -1.0031 -0.9418 -0.9418 -0.9396 -0.9396 4.6663 4.6663 4.6693 4.6693 4.9527 4.9527 4.9543 4.9543 5.1122 5.1122 5.1127 5.1127 k = 0.2037-0.0000 0.3320 ( 13576 PWs) bands (ev): -28.6884 -28.6884 -28.6884 -28.6884 -28.6869 -28.6869 -28.6869 -28.6869 -12.3764 -12.3764 -12.3760 -12.3760 -12.3627 -12.3627 -12.3624 -12.3624 -12.1247 -12.1247 -12.1209 -12.1209 -12.1061 -12.1061 -12.1046 -12.1046 -12.0996 -12.0996 -12.0949 -12.0949 -12.0905 -12.0905 -12.0904 -12.0904 -5.0734 -5.0734 -5.0733 -5.0733 -4.3880 -4.3880 -4.3875 -4.3875 -1.8410 -1.8410 -1.8407 -1.8407 -1.6881 -1.6881 -1.6874 -1.6874 -1.3940 -1.3940 -1.3929 -1.3929 -1.2476 -1.2476 -1.2471 -1.2471 -1.0031 -1.0031 -0.9992 -0.9992 -0.9473 -0.9473 -0.9452 -0.9452 4.6805 4.6805 4.6837 4.6837 4.9854 4.9854 4.9870 4.9870 5.1194 5.1194 5.1200 5.1200 k = 0.2222-0.0000 0.3320 ( 13582 PWs) bands (ev): -28.6883 -28.6883 -28.6883 -28.6883 -28.6870 -28.6870 -28.6870 -28.6870 -12.3762 -12.3762 -12.3758 -12.3758 -12.3631 -12.3631 -12.3628 -12.3628 -12.1246 -12.1246 -12.1206 -12.1206 -12.1066 -12.1066 -12.1047 -12.1047 -12.1001 -12.1001 -12.0949 -12.0949 -12.0906 -12.0906 -12.0905 -12.0905 -5.0561 -5.0561 -5.0561 -5.0561 -4.3990 -4.3990 -4.3984 -4.3984 -1.8292 -1.8292 -1.8289 -1.8289 -1.7084 -1.7084 -1.7077 -1.7077 -1.3943 -1.3943 -1.3937 -1.3937 -1.2639 -1.2639 -1.2637 -1.2637 -0.9992 -0.9992 -0.9957 -0.9957 -0.9537 -0.9537 -0.9516 -0.9516 4.6968 4.6968 4.7000 4.7000 5.0212 5.0212 5.0227 5.0227 5.1272 5.1272 5.1279 5.1279 k = 0.2407-0.0000 0.3320 ( 13580 PWs) bands (ev): -28.6883 -28.6883 -28.6883 -28.6883 -28.6870 -28.6870 -28.6870 -28.6870 -12.3759 -12.3759 -12.3756 -12.3756 -12.3635 -12.3635 -12.3632 -12.3632 -12.1244 -12.1244 -12.1202 -12.1202 -12.1072 -12.1072 -12.1049 -12.1049 -12.1004 -12.1004 -12.0949 -12.0949 -12.0908 -12.0908 -12.0904 -12.0904 -5.0376 -5.0376 -5.0375 -5.0375 -4.4112 -4.4112 -4.4106 -4.4106 -1.8169 -1.8169 -1.8166 -1.8166 -1.7271 -1.7271 -1.7264 -1.7264 -1.3968 -1.3968 -1.3966 -1.3966 -1.2799 -1.2799 -1.2788 -1.2788 -0.9961 -0.9961 -0.9928 -0.9928 -0.9606 -0.9606 -0.9587 -0.9587 4.7147 4.7147 4.7181 4.7181 5.0604 5.0604 5.0618 5.0618 5.1355 5.1355 5.1364 5.1364 k = 0.2593-0.0000 0.3320 ( 13576 PWs) bands (ev): -28.6883 -28.6883 -28.6882 -28.6882 -28.6870 -28.6870 -28.6870 -28.6870 -12.3757 -12.3757 -12.3753 -12.3753 -12.3640 -12.3640 -12.3636 -12.3636 -12.1242 -12.1242 -12.1198 -12.1198 -12.1079 -12.1079 -12.1051 -12.1051 -12.1007 -12.1007 -12.0949 -12.0949 -12.0910 -12.0910 -12.0904 -12.0904 -5.0180 -5.0180 -5.0179 -5.0179 -4.4245 -4.4245 -4.4239 -4.4239 -1.8044 -1.8044 -1.8041 -1.8041 -1.7441 -1.7441 -1.7434 -1.7434 -1.4021 -1.4021 -1.4017 -1.4017 -1.2939 -1.2939 -1.2921 -1.2921 -0.9938 -0.9938 -0.9909 -0.9909 -0.9680 -0.9680 -0.9663 -0.9663 4.7342 4.7342 4.7377 4.7377 5.1031 5.1031 5.1045 5.1045 5.1443 5.1443 5.1454 5.1454 k = 0.2778-0.0000 0.3320 ( 13566 PWs) bands (ev): -28.6882 -28.6882 -28.6882 -28.6882 -28.6871 -28.6871 -28.6870 -28.6870 -12.3754 -12.3754 -12.3750 -12.3750 -12.3645 -12.3645 -12.3641 -12.3641 -12.1240 -12.1240 -12.1195 -12.1195 -12.1086 -12.1086 -12.1055 -12.1055 -12.1008 -12.1008 -12.0948 -12.0948 -12.0913 -12.0913 -12.0905 -12.0905 -4.9972 -4.9972 -4.9971 -4.9971 -4.4391 -4.4391 -4.4385 -4.4385 -1.7920 -1.7920 -1.7917 -1.7917 -1.7591 -1.7591 -1.7584 -1.7584 -1.4102 -1.4102 -1.4095 -1.4095 -1.3057 -1.3057 -1.3031 -1.3031 -0.9925 -0.9925 -0.9901 -0.9901 -0.9755 -0.9755 -0.9741 -0.9741 4.7550 4.7550 4.7585 4.7585 5.1490 5.1490 5.1505 5.1505 5.1535 5.1535 5.1550 5.1550 k = 0.2963-0.0000 0.3320 ( 13572 PWs) bands (ev): -28.6882 -28.6882 -28.6882 -28.6882 -28.6871 -28.6871 -28.6871 -28.6871 -12.3752 -12.3752 -12.3747 -12.3747 -12.3650 -12.3650 -12.3646 -12.3646 -12.1237 -12.1237 -12.1191 -12.1191 -12.1094 -12.1094 -12.1060 -12.1060 -12.1007 -12.1007 -12.0947 -12.0947 -12.0916 -12.0916 -12.0905 -12.0905 -4.9755 -4.9755 -4.9753 -4.9753 -4.4550 -4.4550 -4.4543 -4.4543 -1.7806 -1.7806 -1.7799 -1.7799 -1.7718 -1.7718 -1.7706 -1.7706 -1.4205 -1.4205 -1.4196 -1.4196 -1.3151 -1.3151 -1.3121 -1.3121 -0.9925 -0.9925 -0.9912 -0.9912 -0.9820 -0.9820 -0.9816 -0.9816 4.7769 4.7769 4.7805 4.7805 5.1615 5.1615 5.1629 5.1629 5.2001 5.2001 5.2012 5.2012 k = 0.3148-0.0000 0.3320 ( 13560 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6871 -28.6871 -28.6871 -28.6871 -12.3749 -12.3749 -12.3744 -12.3744 -12.3655 -12.3655 -12.3651 -12.3651 -12.1234 -12.1234 -12.1186 -12.1186 -12.1101 -12.1101 -12.1066 -12.1066 -12.1006 -12.1006 -12.0945 -12.0945 -12.0919 -12.0919 -12.0906 -12.0906 -4.9528 -4.9528 -4.9526 -4.9526 -4.4720 -4.4720 -4.4714 -4.4714 -1.7833 -1.7833 -1.7831 -1.7831 -1.7680 -1.7680 -1.7675 -1.7675 -1.4320 -1.4320 -1.4311 -1.4311 -1.3228 -1.3228 -1.3195 -1.3195 -0.9954 -0.9954 -0.9949 -0.9949 -0.9874 -0.9874 -0.9860 -0.9860 4.7997 4.7997 4.8034 4.8034 5.1689 5.1689 5.1707 5.1707 5.2541 5.2541 5.2551 5.2551 k = 0.3333-0.0000 0.3320 ( 13564 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6872 -28.6872 -28.6872 -28.6872 -12.3746 -12.3746 -12.3741 -12.3741 -12.3660 -12.3660 -12.3656 -12.3656 -12.1231 -12.1231 -12.1182 -12.1182 -12.1109 -12.1109 -12.1072 -12.1072 -12.1004 -12.1004 -12.0943 -12.0943 -12.0923 -12.0923 -12.0907 -12.0907 -4.9293 -4.9293 -4.9291 -4.9291 -4.4902 -4.4902 -4.4896 -4.4896 -1.7917 -1.7917 -1.7912 -1.7912 -1.7582 -1.7582 -1.7578 -1.7578 -1.4434 -1.4434 -1.4427 -1.4427 -1.3296 -1.3296 -1.3262 -1.3262 -1.0016 -1.0016 -1.0003 -1.0003 -0.9905 -0.9905 -0.9883 -0.9883 4.8236 4.8236 4.8272 4.8272 5.1747 5.1747 5.1768 5.1768 5.3118 5.3118 5.3128 5.3128 k = 0.3519-0.0000 0.3320 ( 13564 PWs) bands (ev): -28.6880 -28.6880 -28.6880 -28.6880 -28.6872 -28.6872 -28.6872 -28.6872 -12.3742 -12.3742 -12.3737 -12.3737 -12.3666 -12.3666 -12.3661 -12.3661 -12.1227 -12.1227 -12.1178 -12.1178 -12.1118 -12.1118 -12.1079 -12.1079 -12.1001 -12.1001 -12.0941 -12.0941 -12.0927 -12.0927 -12.0908 -12.0908 -4.9050 -4.9050 -4.9048 -4.9048 -4.5096 -4.5096 -4.5090 -4.5090 -1.7980 -1.7980 -1.7974 -1.7974 -1.7502 -1.7502 -1.7497 -1.7497 -1.4533 -1.4533 -1.4529 -1.4529 -1.3365 -1.3365 -1.3330 -1.3330 -1.0078 -1.0078 -1.0065 -1.0065 -0.9928 -0.9928 -0.9907 -0.9907 4.8483 4.8483 4.8520 4.8520 5.1779 5.1779 5.1803 5.1803 5.3730 5.3730 5.3739 5.3739 k = 0.3704-0.0000 0.3320 ( 13564 PWs) bands (ev): -28.6880 -28.6880 -28.6880 -28.6880 -28.6873 -28.6873 -28.6873 -28.6873 -12.3739 -12.3739 -12.3734 -12.3734 -12.3671 -12.3671 -12.3666 -12.3666 -12.1222 -12.1222 -12.1173 -12.1173 -12.1126 -12.1126 -12.1086 -12.1086 -12.0997 -12.0997 -12.0939 -12.0939 -12.0931 -12.0931 -12.0909 -12.0909 -4.8801 -4.8801 -4.8799 -4.8799 -4.5301 -4.5301 -4.5295 -4.5295 -1.8020 -1.8020 -1.8013 -1.8013 -1.7447 -1.7447 -1.7440 -1.7440 -1.4608 -1.4608 -1.4607 -1.4607 -1.3439 -1.3439 -1.3405 -1.3405 -1.0132 -1.0132 -1.0120 -1.0120 -0.9953 -0.9953 -0.9934 -0.9934 4.8740 4.8740 4.8777 4.8777 5.1779 5.1779 5.1806 5.1806 5.4373 5.4373 5.4381 5.4381 k = 0.3889-0.0000 0.3320 ( 13578 PWs) bands (ev): -28.6879 -28.6879 -28.6879 -28.6879 -28.6873 -28.6873 -28.6873 -28.6873 -12.3735 -12.3735 -12.3730 -12.3730 -12.3677 -12.3677 -12.3672 -12.3672 -12.1218 -12.1218 -12.1168 -12.1168 -12.1134 -12.1134 -12.1093 -12.1093 -12.0993 -12.0993 -12.0937 -12.0937 -12.0935 -12.0935 -12.0911 -12.0911 -4.8547 -4.8547 -4.8545 -4.8545 -4.5517 -4.5517 -4.5511 -4.5511 -1.8038 -1.8038 -1.8030 -1.8030 -1.7421 -1.7421 -1.7412 -1.7412 -1.4652 -1.4652 -1.4648 -1.4648 -1.3523 -1.3523 -1.3490 -1.3490 -1.0175 -1.0175 -1.0166 -1.0166 -0.9983 -0.9983 -0.9966 -0.9966 4.9005 4.9005 4.9042 4.9042 5.1740 5.1740 5.1770 5.1770 5.5045 5.5045 5.5052 5.5052 k = 0.4074-0.0000 0.3320 ( 13580 PWs) bands (ev): -28.6879 -28.6879 -28.6879 -28.6879 -28.6874 -28.6874 -28.6874 -28.6874 -12.3731 -12.3731 -12.3726 -12.3726 -12.3682 -12.3682 -12.3677 -12.3677 -12.1212 -12.1212 -12.1163 -12.1163 -12.1142 -12.1142 -12.1100 -12.1100 -12.0989 -12.0989 -12.0940 -12.0940 -12.0935 -12.0935 -12.0912 -12.0912 -4.8289 -4.8289 -4.8286 -4.8286 -4.5742 -4.5742 -4.5736 -4.5736 -1.8034 -1.8034 -1.8025 -1.8025 -1.7426 -1.7426 -1.7415 -1.7415 -1.4659 -1.4659 -1.4651 -1.4651 -1.3618 -1.3618 -1.3587 -1.3587 -1.0206 -1.0206 -1.0199 -1.0199 -1.0016 -1.0016 -1.0001 -1.0001 4.9278 4.9278 4.9315 4.9315 5.1659 5.1659 5.1690 5.1690 5.5741 5.5741 5.5747 5.5747 k = 0.4259-0.0000 0.3320 ( 13580 PWs) bands (ev): -28.6878 -28.6878 -28.6878 -28.6878 -28.6874 -28.6874 -28.6874 -28.6874 -12.3727 -12.3727 -12.3721 -12.3721 -12.3687 -12.3687 -12.3682 -12.3682 -12.1207 -12.1207 -12.1158 -12.1158 -12.1150 -12.1150 -12.1107 -12.1107 -12.0984 -12.0984 -12.0945 -12.0945 -12.0932 -12.0932 -12.0914 -12.0914 -4.8028 -4.8028 -4.8025 -4.8025 -4.5975 -4.5975 -4.5970 -4.5970 -1.8010 -1.8010 -1.8001 -1.8001 -1.7460 -1.7460 -1.7448 -1.7448 -1.4628 -1.4628 -1.4616 -1.4616 -1.3726 -1.3726 -1.3696 -1.3696 -1.0223 -1.0223 -1.0219 -1.0219 -1.0052 -1.0052 -1.0038 -1.0038 4.9558 4.9558 4.9594 4.9594 5.1534 5.1534 5.1567 5.1567 5.6455 5.6455 5.6460 5.6460 k = 0.4444-0.0000 0.3320 ( 13590 PWs) bands (ev): -28.6878 -28.6878 -28.6878 -28.6878 -28.6875 -28.6875 -28.6875 -28.6875 -12.3722 -12.3722 -12.3717 -12.3717 -12.3693 -12.3693 -12.3687 -12.3687 -12.1201 -12.1201 -12.1158 -12.1158 -12.1152 -12.1152 -12.1114 -12.1114 -12.0980 -12.0980 -12.0950 -12.0950 -12.0930 -12.0930 -12.0916 -12.0916 -4.7765 -4.7765 -4.7761 -4.7761 -4.6217 -4.6217 -4.6212 -4.6212 -1.7968 -1.7968 -1.7957 -1.7957 -1.7517 -1.7517 -1.7505 -1.7505 -1.4563 -1.4563 -1.4547 -1.4547 -1.3844 -1.3844 -1.3816 -1.3816 -1.0228 -1.0228 -1.0226 -1.0226 -1.0088 -1.0088 -1.0076 -1.0076 4.9841 4.9841 4.9878 4.9878 5.1368 5.1368 5.1402 5.1402 5.7183 5.7183 5.7187 5.7187 k = 0.4630-0.0000 0.3320 ( 13582 PWs) bands (ev): -28.6877 -28.6877 -28.6877 -28.6877 -28.6875 -28.6875 -28.6875 -28.6875 -12.3718 -12.3718 -12.3712 -12.3712 -12.3698 -12.3698 -12.3693 -12.3693 -12.1195 -12.1195 -12.1166 -12.1166 -12.1146 -12.1146 -12.1121 -12.1121 -12.0975 -12.0975 -12.0955 -12.0955 -12.0928 -12.0928 -12.0918 -12.0918 -4.7501 -4.7501 -4.7497 -4.7497 -4.6465 -4.6465 -4.6460 -4.6460 -1.7909 -1.7909 -1.7898 -1.7898 -1.7591 -1.7591 -1.7578 -1.7578 -1.4470 -1.4470 -1.4452 -1.4452 -1.3971 -1.3971 -1.3945 -1.3945 -1.0222 -1.0222 -1.0222 -1.0222 -1.0123 -1.0123 -1.0114 -1.0114 5.0125 5.0125 5.0162 5.0162 5.1165 5.1165 5.1200 5.1200 5.7918 5.7918 5.7920 5.7920 k = 0.4815-0.0000 0.3320 ( 13580 PWs) bands (ev): -28.6877 -28.6877 -28.6877 -28.6877 -28.6876 -28.6876 -28.6876 -28.6876 -12.3713 -12.3713 -12.3707 -12.3707 -12.3703 -12.3703 -12.3698 -12.3698 -12.1188 -12.1188 -12.1174 -12.1174 -12.1140 -12.1140 -12.1127 -12.1127 -12.0970 -12.0970 -12.0960 -12.0960 -12.0925 -12.0925 -12.0921 -12.0921 -4.7238 -4.7238 -4.7234 -4.7234 -4.6719 -4.6719 -4.6714 -4.6714 -1.7838 -1.7838 -1.7826 -1.7826 -1.7674 -1.7674 -1.7661 -1.7661 -1.4358 -1.4358 -1.4337 -1.4337 -1.4102 -1.4102 -1.4077 -1.4077 -1.0207 -1.0207 -1.0205 -1.0205 -1.0156 -1.0156 -1.0149 -1.0149 5.0406 5.0406 5.0442 5.0442 5.0932 5.0932 5.0968 5.0968 5.8651 5.8651 5.8652 5.8652 k = 0.5000-0.0000 0.3320 ( 13588 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3708 -12.3708 -12.3708 -12.3708 -12.3703 -12.3703 -12.3703 -12.3703 -12.1181 -12.1181 -12.1181 -12.1181 -12.1134 -12.1134 -12.1134 -12.1134 -12.0965 -12.0965 -12.0965 -12.0965 -12.0923 -12.0923 -12.0923 -12.0923 -4.6977 -4.6977 -4.6977 -4.6977 -4.6973 -4.6973 -4.6973 -4.6973 -1.7758 -1.7758 -1.7758 -1.7758 -1.7746 -1.7746 -1.7746 -1.7746 -1.4233 -1.4233 -1.4233 -1.4233 -1.4210 -1.4210 -1.4210 -1.4210 -1.0185 -1.0185 -1.0185 -1.0185 -1.0180 -1.0180 -1.0180 -1.0180 5.0677 5.0677 5.0677 5.0677 5.0713 5.0713 5.0713 5.0713 5.9367 5.9367 5.9368 5.9368 k = 0.5000-0.0000 0.3320 ( 13588 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3708 -12.3708 -12.3708 -12.3708 -12.3703 -12.3703 -12.3703 -12.3703 -12.1181 -12.1181 -12.1181 -12.1181 -12.1134 -12.1134 -12.1134 -12.1134 -12.0965 -12.0965 -12.0965 -12.0965 -12.0923 -12.0923 -12.0923 -12.0923 -4.6977 -4.6977 -4.6977 -4.6977 -4.6973 -4.6973 -4.6973 -4.6973 -1.7758 -1.7758 -1.7758 -1.7758 -1.7746 -1.7746 -1.7746 -1.7746 -1.4233 -1.4233 -1.4233 -1.4233 -1.4210 -1.4210 -1.4210 -1.4210 -1.0185 -1.0185 -1.0185 -1.0185 -1.0180 -1.0180 -1.0180 -1.0180 5.0677 5.0677 5.0677 5.0677 5.0713 5.0713 5.0713 5.0713 5.9367 5.9367 5.9368 5.9368 k = 0.5000 0.0180 0.3320 ( 13588 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3708 -12.3708 -12.3708 -12.3708 -12.3703 -12.3703 -12.3703 -12.3703 -12.1181 -12.1181 -12.1181 -12.1181 -12.1139 -12.1139 -12.1129 -12.1129 -12.0969 -12.0969 -12.0960 -12.0960 -12.0923 -12.0923 -12.0923 -12.0923 -4.6975 -4.6975 -4.6974 -4.6974 -4.6970 -4.6970 -4.6970 -4.6970 -1.7781 -1.7781 -1.7778 -1.7778 -1.7767 -1.7767 -1.7767 -1.7767 -1.4228 -1.4228 -1.4225 -1.4225 -1.4208 -1.4208 -1.4200 -1.4200 -1.0174 -1.0174 -1.0169 -1.0169 -1.0169 -1.0169 -1.0164 -1.0164 5.0661 5.0661 5.0662 5.0662 5.0697 5.0697 5.0698 5.0698 5.9346 5.9346 5.9346 5.9346 k = 0.5000 0.0361 0.3320 ( 13596 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3709 -12.3709 -12.3708 -12.3708 -12.3703 -12.3703 -12.3703 -12.3703 -12.1181 -12.1181 -12.1181 -12.1181 -12.1144 -12.1144 -12.1125 -12.1125 -12.0973 -12.0973 -12.0955 -12.0955 -12.0923 -12.0923 -12.0923 -12.0923 -4.6967 -4.6967 -4.6966 -4.6966 -4.6962 -4.6962 -4.6962 -4.6962 -1.7845 -1.7845 -1.7840 -1.7840 -1.7831 -1.7831 -1.7830 -1.7830 -1.4212 -1.4212 -1.4205 -1.4205 -1.4195 -1.4195 -1.4179 -1.4179 -1.0135 -1.0135 -1.0130 -1.0130 -1.0126 -1.0126 -1.0121 -1.0121 5.0616 5.0616 5.0619 5.0619 5.0652 5.0652 5.0653 5.0653 5.9289 5.9290 5.9290 5.9290 k = 0.5000 0.0541 0.3320 ( 13600 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3709 -12.3709 -12.3708 -12.3708 -12.3703 -12.3703 -12.3703 -12.3703 -12.1182 -12.1182 -12.1182 -12.1182 -12.1149 -12.1149 -12.1121 -12.1121 -12.0977 -12.0977 -12.0950 -12.0950 -12.0922 -12.0922 -12.0922 -12.0922 -4.6955 -4.6955 -4.6953 -4.6953 -4.6950 -4.6950 -4.6949 -4.6949 -1.7946 -1.7946 -1.7940 -1.7940 -1.7933 -1.7933 -1.7932 -1.7932 -1.4186 -1.4186 -1.4176 -1.4176 -1.4172 -1.4172 -1.4149 -1.4149 -1.0070 -1.0070 -1.0065 -1.0065 -1.0057 -1.0057 -1.0053 -1.0053 5.0545 5.0545 5.0549 5.0549 5.0580 5.0580 5.0582 5.0582 5.9215 5.9215 5.9216 5.9216 k = 0.5000 0.0721 0.3320 ( 13584 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3710 -12.3710 -12.3708 -12.3708 -12.3704 -12.3704 -12.3703 -12.3703 -12.1183 -12.1183 -12.1182 -12.1182 -12.1155 -12.1155 -12.1118 -12.1118 -12.0980 -12.0980 -12.0945 -12.0945 -12.0922 -12.0922 -12.0921 -12.0921 -4.6937 -4.6937 -4.6935 -4.6935 -4.6932 -4.6932 -4.6932 -4.6932 -1.8081 -1.8081 -1.8073 -1.8073 -1.8068 -1.8068 -1.8067 -1.8067 -1.4152 -1.4152 -1.4141 -1.4141 -1.4140 -1.4140 -1.4112 -1.4112 -0.9982 -0.9982 -0.9977 -0.9977 -0.9965 -0.9965 -0.9961 -0.9961 5.0452 5.0452 5.0457 5.0457 5.0486 5.0486 5.0488 5.0488 5.9135 5.9136 5.9136 5.9137 k = 0.5000 0.0901 0.3320 ( 13608 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3710 -12.3710 -12.3708 -12.3708 -12.3704 -12.3704 -12.3704 -12.3704 -12.1184 -12.1184 -12.1183 -12.1183 -12.1160 -12.1160 -12.1116 -12.1116 -12.0982 -12.0982 -12.0940 -12.0940 -12.0921 -12.0921 -12.0920 -12.0920 -4.6916 -4.6916 -4.6913 -4.6913 -4.6910 -4.6910 -4.6910 -4.6910 -1.8243 -1.8243 -1.8234 -1.8234 -1.8231 -1.8231 -1.8229 -1.8229 -1.4114 -1.4114 -1.4104 -1.4104 -1.4100 -1.4100 -1.4072 -1.4072 -0.9874 -0.9874 -0.9869 -0.9869 -0.9854 -0.9854 -0.9851 -0.9851 5.0343 5.0343 5.0348 5.0348 5.0375 5.0375 5.0378 5.0378 5.9056 5.9057 5.9058 5.9058 k = 0.5000 0.1082 0.3320 ( 13604 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3711 -12.3711 -12.3709 -12.3709 -12.3705 -12.3705 -12.3705 -12.3705 -12.1185 -12.1185 -12.1183 -12.1183 -12.1165 -12.1165 -12.1114 -12.1114 -12.0983 -12.0983 -12.0935 -12.0935 -12.0920 -12.0920 -12.0919 -12.0919 -4.6890 -4.6890 -4.6886 -4.6886 -4.6884 -4.6884 -4.6884 -4.6884 -1.8425 -1.8425 -1.8417 -1.8417 -1.8414 -1.8414 -1.8412 -1.8412 -1.4072 -1.4072 -1.4065 -1.4065 -1.4057 -1.4057 -1.4029 -1.4029 -0.9750 -0.9750 -0.9744 -0.9744 -0.9728 -0.9728 -0.9725 -0.9725 5.0223 5.0223 5.0229 5.0229 5.0254 5.0254 5.0257 5.0257 5.8980 5.8981 5.8982 5.8983 k = 0.5000 0.1262 0.3320 ( 13596 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3712 -12.3712 -12.3709 -12.3709 -12.3706 -12.3706 -12.3705 -12.3705 -12.1186 -12.1186 -12.1183 -12.1183 -12.1170 -12.1170 -12.1114 -12.1114 -12.0984 -12.0984 -12.0930 -12.0930 -12.0920 -12.0920 -12.0918 -12.0918 -4.6861 -4.6861 -4.6856 -4.6856 -4.6855 -4.6855 -4.6854 -4.6854 -1.8623 -1.8623 -1.8614 -1.8614 -1.8613 -1.8613 -1.8610 -1.8610 -1.4029 -1.4029 -1.4023 -1.4023 -1.4014 -1.4014 -1.3986 -1.3986 -0.9613 -0.9613 -0.9608 -0.9608 -0.9589 -0.9589 -0.9587 -0.9587 5.0099 5.0099 5.0105 5.0105 5.0128 5.0128 5.0131 5.0131 5.8907 5.8908 5.8909 5.8910 k = 0.5000 0.1442 0.3320 ( 13604 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3712 -12.3712 -12.3709 -12.3709 -12.3707 -12.3707 -12.3706 -12.3706 -12.1188 -12.1188 -12.1184 -12.1184 -12.1175 -12.1175 -12.1115 -12.1115 -12.0983 -12.0983 -12.0925 -12.0925 -12.0919 -12.0919 -12.0916 -12.0916 -4.6828 -4.6828 -4.6824 -4.6824 -4.6823 -4.6823 -4.6822 -4.6822 -1.8830 -1.8830 -1.8822 -1.8822 -1.8822 -1.8822 -1.8818 -1.8818 -1.3986 -1.3986 -1.3982 -1.3982 -1.3971 -1.3971 -1.3944 -1.3944 -0.9468 -0.9468 -0.9462 -0.9462 -0.9443 -0.9443 -0.9441 -0.9441 4.9975 4.9975 4.9981 4.9981 5.0002 5.0002 5.0005 5.0005 5.8835 5.8835 5.8836 5.8838 k = 0.5000 0.1622 0.3320 ( 13604 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3713 -12.3713 -12.3710 -12.3710 -12.3708 -12.3708 -12.3707 -12.3707 -12.1190 -12.1190 -12.1184 -12.1184 -12.1180 -12.1180 -12.1116 -12.1116 -12.0981 -12.0981 -12.0921 -12.0921 -12.0919 -12.0919 -12.0914 -12.0914 -4.6793 -4.6793 -4.6788 -4.6788 -4.6788 -4.6788 -4.6787 -4.6787 -1.9042 -1.9042 -1.9035 -1.9035 -1.9035 -1.9035 -1.9031 -1.9031 -1.3944 -1.3944 -1.3942 -1.3942 -1.3930 -1.3930 -1.3904 -1.3904 -0.9318 -0.9318 -0.9312 -0.9312 -0.9292 -0.9292 -0.9292 -0.9292 4.9856 4.9856 4.9862 4.9862 4.9880 4.9880 4.9884 4.9884 5.8760 5.8762 5.8764 5.8765 k = 0.5000 0.1803 0.3320 ( 13604 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3714 -12.3714 -12.3710 -12.3710 -12.3709 -12.3709 -12.3707 -12.3707 -12.1191 -12.1191 -12.1184 -12.1184 -12.1184 -12.1184 -12.1118 -12.1118 -12.0979 -12.0979 -12.0918 -12.0918 -12.0917 -12.0917 -12.0913 -12.0913 -4.6757 -4.6757 -4.6751 -4.6751 -4.6751 -4.6751 -4.6750 -4.6750 -1.9254 -1.9254 -1.9249 -1.9249 -1.9248 -1.9248 -1.9244 -1.9244 -1.3904 -1.3904 -1.3903 -1.3903 -1.3891 -1.3891 -1.3866 -1.3866 -0.9166 -0.9166 -0.9161 -0.9161 -0.9141 -0.9141 -0.9141 -0.9141 4.9745 4.9745 4.9750 4.9750 4.9766 4.9766 4.9770 4.9770 5.8685 5.8686 5.8688 5.8691 k = 0.5000 0.1983 0.3320 ( 13608 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3715 -12.3715 -12.3711 -12.3711 -12.3710 -12.3710 -12.3708 -12.3708 -12.1193 -12.1193 -12.1188 -12.1188 -12.1184 -12.1184 -12.1121 -12.1121 -12.0976 -12.0976 -12.0918 -12.0918 -12.0913 -12.0913 -12.0911 -12.0911 -4.6719 -4.6719 -4.6714 -4.6714 -4.6714 -4.6714 -4.6713 -4.6713 -1.9463 -1.9463 -1.9459 -1.9459 -1.9458 -1.9458 -1.9454 -1.9454 -1.3867 -1.3867 -1.3866 -1.3866 -1.3854 -1.3854 -1.3830 -1.3830 -0.9017 -0.9017 -0.9011 -0.9011 -0.8993 -0.8993 -0.8992 -0.8992 4.9644 4.9644 4.9648 4.9648 4.9663 4.9663 4.9667 4.9667 5.8607 5.8608 5.8610 5.8613 k = 0.5000 0.2163 0.3320 ( 13604 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3715 -12.3715 -12.3712 -12.3712 -12.3711 -12.3711 -12.3709 -12.3709 -12.1195 -12.1195 -12.1192 -12.1192 -12.1184 -12.1184 -12.1125 -12.1125 -12.0973 -12.0973 -12.0918 -12.0918 -12.0909 -12.0909 -12.0909 -12.0909 -4.6681 -4.6681 -4.6676 -4.6676 -4.6676 -4.6676 -4.6675 -4.6675 -1.9665 -1.9665 -1.9662 -1.9662 -1.9660 -1.9660 -1.9657 -1.9657 -1.3832 -1.3832 -1.3831 -1.3831 -1.3821 -1.3821 -1.3797 -1.3797 -0.8873 -0.8873 -0.8867 -0.8867 -0.8850 -0.8850 -0.8848 -0.8848 4.9555 4.9555 4.9559 4.9559 4.9572 4.9572 4.9577 4.9577 5.8524 5.8525 5.8527 5.8530 k = 0.5000 0.2343 0.3320 ( 13620 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3716 -12.3716 -12.3712 -12.3712 -12.3712 -12.3712 -12.3710 -12.3710 -12.1197 -12.1197 -12.1195 -12.1195 -12.1183 -12.1183 -12.1129 -12.1129 -12.0969 -12.0969 -12.0919 -12.0919 -12.0907 -12.0907 -12.0906 -12.0906 -4.6644 -4.6644 -4.6639 -4.6639 -4.6638 -4.6638 -4.6638 -4.6638 -1.9857 -1.9857 -1.9855 -1.9855 -1.9853 -1.9853 -1.9850 -1.9850 -1.3800 -1.3800 -1.3798 -1.3798 -1.3789 -1.3789 -1.3767 -1.3767 -0.8736 -0.8736 -0.8730 -0.8730 -0.8715 -0.8715 -0.8712 -0.8712 4.9480 4.9480 4.9483 4.9483 4.9494 4.9494 4.9499 4.9499 5.8438 5.8439 5.8440 5.8448 k = 0.5000 0.2524 0.3320 ( 13624 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3717 -12.3717 -12.3713 -12.3713 -12.3713 -12.3713 -12.3711 -12.3711 -12.1199 -12.1199 -12.1198 -12.1198 -12.1183 -12.1183 -12.1133 -12.1133 -12.0965 -12.0965 -12.0919 -12.0919 -12.0905 -12.0905 -12.0904 -12.0904 -4.6608 -4.6608 -4.6604 -4.6604 -4.6602 -4.6602 -4.6602 -4.6602 -2.0036 -2.0036 -2.0035 -2.0035 -2.0032 -2.0032 -2.0029 -2.0029 -1.3771 -1.3771 -1.3767 -1.3767 -1.3761 -1.3761 -1.3740 -1.3740 -0.8608 -0.8608 -0.8602 -0.8602 -0.8589 -0.8589 -0.8586 -0.8586 4.9418 4.9418 4.9420 4.9420 4.9430 4.9430 4.9435 4.9435 5.8350 5.8350 5.8352 5.8352 k = 0.5000 0.2704 0.3320 ( 13616 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3717 -12.3717 -12.3714 -12.3714 -12.3713 -12.3713 -12.3711 -12.3711 -12.1201 -12.1201 -12.1201 -12.1201 -12.1181 -12.1181 -12.1137 -12.1137 -12.0961 -12.0961 -12.0920 -12.0920 -12.0903 -12.0903 -12.0901 -12.0901 -4.6574 -4.6574 -4.6570 -4.6570 -4.6568 -4.6568 -4.6568 -4.6568 -2.0200 -2.0200 -2.0199 -2.0199 -2.0196 -2.0196 -2.0193 -2.0193 -1.3745 -1.3745 -1.3740 -1.3740 -1.3736 -1.3736 -1.3716 -1.3716 -0.8492 -0.8492 -0.8485 -0.8485 -0.8474 -0.8474 -0.8471 -0.8471 4.9368 4.9368 4.9369 4.9369 4.9377 4.9377 4.9383 4.9383 5.8263 5.8263 5.8264 5.8264 k = 0.5000 0.2884 0.3320 ( 13624 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3717 -12.3717 -12.3714 -12.3714 -12.3714 -12.3714 -12.3712 -12.3712 -12.1203 -12.1203 -12.1203 -12.1203 -12.1180 -12.1180 -12.1141 -12.1141 -12.0957 -12.0957 -12.0921 -12.0921 -12.0901 -12.0901 -12.0899 -12.0899 -4.6543 -4.6543 -4.6540 -4.6540 -4.6537 -4.6537 -4.6537 -4.6537 -2.0346 -2.0346 -2.0345 -2.0345 -2.0342 -2.0342 -2.0340 -2.0340 -1.3722 -1.3722 -1.3716 -1.3716 -1.3714 -1.3714 -1.3695 -1.3695 -0.8388 -0.8388 -0.8382 -0.8382 -0.8373 -0.8373 -0.8368 -0.8368 4.9330 4.9330 4.9330 4.9330 4.9337 4.9337 4.9343 4.9343 5.8178 5.8178 5.8179 5.8179 k = 0.5000 0.3064 0.3320 ( 13628 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3718 -12.3718 -12.3715 -12.3715 -12.3714 -12.3714 -12.3713 -12.3713 -12.1205 -12.1205 -12.1204 -12.1204 -12.1178 -12.1178 -12.1146 -12.1146 -12.0953 -12.0953 -12.0923 -12.0923 -12.0899 -12.0899 -12.0897 -12.0897 -4.6516 -4.6516 -4.6513 -4.6513 -4.6509 -4.6509 -4.6509 -4.6509 -2.0473 -2.0473 -2.0472 -2.0472 -2.0469 -2.0469 -2.0468 -2.0468 -1.3702 -1.3702 -1.3695 -1.3695 -1.3695 -1.3695 -1.3677 -1.3677 -0.8298 -0.8298 -0.8292 -0.8292 -0.8285 -0.8285 -0.8280 -0.8280 4.9301 4.9301 4.9302 4.9302 4.9307 4.9307 4.9312 4.9312 5.8099 5.8099 5.8100 5.8100 k = 0.5000 0.3245 0.3320 ( 13616 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3718 -12.3718 -12.3716 -12.3716 -12.3714 -12.3714 -12.3713 -12.3713 -12.1206 -12.1206 -12.1205 -12.1205 -12.1176 -12.1176 -12.1150 -12.1150 -12.0949 -12.0949 -12.0924 -12.0924 -12.0898 -12.0898 -12.0896 -12.0896 -4.6492 -4.6492 -4.6489 -4.6489 -4.6486 -4.6486 -4.6486 -4.6486 -2.0579 -2.0579 -2.0578 -2.0578 -2.0575 -2.0575 -2.0574 -2.0574 -1.3685 -1.3685 -1.3679 -1.3679 -1.3677 -1.3677 -1.3662 -1.3662 -0.8223 -0.8223 -0.8216 -0.8216 -0.8213 -0.8213 -0.8207 -0.8207 4.9280 4.9280 4.9282 4.9282 4.9285 4.9285 4.9291 4.9291 5.8029 5.8029 5.8030 5.8030 k = 0.5000 0.3425 0.3320 ( 13624 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3718 -12.3718 -12.3717 -12.3717 -12.3714 -12.3714 -12.3714 -12.3714 -12.1207 -12.1207 -12.1207 -12.1207 -12.1174 -12.1174 -12.1154 -12.1154 -12.0945 -12.0945 -12.0926 -12.0926 -12.0897 -12.0897 -12.0895 -12.0895 -4.6473 -4.6473 -4.6471 -4.6471 -4.6467 -4.6467 -4.6467 -4.6467 -2.0662 -2.0662 -2.0662 -2.0662 -2.0659 -2.0659 -2.0658 -2.0658 -1.3671 -1.3671 -1.3667 -1.3667 -1.3662 -1.3662 -1.3652 -1.3652 -0.8163 -0.8163 -0.8157 -0.8157 -0.8156 -0.8156 -0.8150 -0.8150 4.9267 4.9267 4.9270 4.9270 4.9270 4.9270 4.9276 4.9276 5.7970 5.7971 5.7971 5.7971 k = 0.5000 0.3605 0.3320 ( 13616 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3718 -12.3718 -12.3717 -12.3717 -12.3714 -12.3714 -12.3714 -12.3714 -12.1208 -12.1208 -12.1208 -12.1208 -12.1171 -12.1171 -12.1158 -12.1158 -12.0941 -12.0941 -12.0929 -12.0929 -12.0896 -12.0896 -12.0895 -12.0895 -4.6459 -4.6459 -4.6458 -4.6458 -4.6453 -4.6453 -4.6453 -4.6453 -2.0723 -2.0723 -2.0723 -2.0723 -2.0720 -2.0720 -2.0719 -2.0719 -1.3662 -1.3662 -1.3659 -1.3659 -1.3651 -1.3651 -1.3644 -1.3644 -0.8120 -0.8120 -0.8115 -0.8115 -0.8114 -0.8114 -0.8109 -0.8109 4.9258 4.9258 4.9261 4.9261 4.9262 4.9262 4.9266 4.9266 5.7927 5.7927 5.7927 5.7927 k = 0.5000 0.3785 0.3320 ( 13624 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3718 -12.3718 -12.3718 -12.3718 -12.3715 -12.3715 -12.3714 -12.3714 -12.1208 -12.1208 -12.1208 -12.1208 -12.1168 -12.1168 -12.1162 -12.1162 -12.0937 -12.0937 -12.0931 -12.0931 -12.0895 -12.0895 -12.0894 -12.0894 -4.6450 -4.6450 -4.6450 -4.6450 -4.6445 -4.6445 -4.6445 -4.6445 -2.0759 -2.0759 -2.0759 -2.0759 -2.0756 -2.0756 -2.0756 -2.0756 -1.3655 -1.3655 -1.3654 -1.3654 -1.3644 -1.3644 -1.3640 -1.3640 -0.8094 -0.8094 -0.8091 -0.8091 -0.8087 -0.8087 -0.8085 -0.8085 4.9254 4.9254 4.9255 4.9255 4.9259 4.9259 4.9261 4.9261 5.7899 5.7899 5.7900 5.7900 k = 0.5000 0.3966 0.3320 ( 13640 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3718 -12.3718 -12.3718 -12.3718 -12.3715 -12.3715 -12.3715 -12.3715 -12.1209 -12.1209 -12.1209 -12.1209 -12.1165 -12.1165 -12.1165 -12.1165 -12.0934 -12.0934 -12.0934 -12.0934 -12.0895 -12.0895 -12.0895 -12.0895 -4.6447 -4.6447 -4.6447 -4.6447 -4.6442 -4.6442 -4.6442 -4.6442 -2.0772 -2.0772 -2.0772 -2.0772 -2.0768 -2.0768 -2.0768 -2.0768 -1.3653 -1.3653 -1.3653 -1.3653 -1.3641 -1.3641 -1.3641 -1.3641 -0.8084 -0.8084 -0.8084 -0.8084 -0.8078 -0.8078 -0.8078 -0.8078 4.9253 4.9253 4.9253 4.9253 4.9258 4.9258 4.9258 4.9258 5.7890 5.7890 5.7890 5.7891 k = 0.5000 0.3966 0.3320 ( 13640 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3718 -12.3718 -12.3718 -12.3718 -12.3715 -12.3715 -12.3715 -12.3715 -12.1209 -12.1209 -12.1209 -12.1209 -12.1165 -12.1165 -12.1165 -12.1165 -12.0934 -12.0934 -12.0934 -12.0934 -12.0895 -12.0895 -12.0895 -12.0895 -4.6447 -4.6447 -4.6447 -4.6447 -4.6442 -4.6442 -4.6442 -4.6442 -2.0772 -2.0772 -2.0772 -2.0772 -2.0768 -2.0768 -2.0768 -2.0768 -1.3653 -1.3653 -1.3653 -1.3653 -1.3641 -1.3641 -1.3641 -1.3641 -0.8084 -0.8084 -0.8084 -0.8084 -0.8078 -0.8078 -0.8078 -0.8078 4.9253 4.9253 4.9253 4.9253 4.9258 4.9258 4.9258 4.9258 5.7890 5.7890 5.7890 5.7891 k = 0.4815 0.3966 0.3320 ( 13604 PWs) bands (ev): -28.6877 -28.6877 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3719 -12.3719 -12.3719 -12.3719 -12.3714 -12.3714 -12.3713 -12.3713 -12.1208 -12.1208 -12.1208 -12.1208 -12.1165 -12.1165 -12.1165 -12.1165 -12.0935 -12.0935 -12.0934 -12.0934 -12.0894 -12.0894 -12.0894 -12.0894 -4.6612 -4.6612 -4.6612 -4.6612 -4.6285 -4.6285 -4.6285 -4.6285 -2.0914 -2.0914 -2.0914 -2.0914 -2.0598 -2.0598 -2.0598 -2.0598 -1.3680 -1.3680 -1.3680 -1.3680 -1.3617 -1.3617 -1.3617 -1.3617 -0.8174 -0.8174 -0.8174 -0.8174 -0.7995 -0.7995 -0.7995 -0.7995 4.9185 4.9185 4.9186 4.9186 4.9309 4.9309 4.9309 4.9309 5.7708 5.7708 5.7708 5.7708 k = 0.4630 0.3966 0.3320 ( 13596 PWs) bands (ev): -28.6877 -28.6877 -28.6877 -28.6877 -28.6876 -28.6876 -28.6876 -28.6876 -12.3720 -12.3720 -12.3720 -12.3720 -12.3712 -12.3712 -12.3711 -12.3711 -12.1208 -12.1208 -12.1208 -12.1208 -12.1165 -12.1165 -12.1165 -12.1165 -12.0936 -12.0936 -12.0936 -12.0936 -12.0893 -12.0893 -12.0893 -12.0893 -4.6786 -4.6786 -4.6786 -4.6786 -4.6135 -4.6135 -4.6135 -4.6135 -2.1030 -2.1030 -2.1030 -2.1030 -2.0400 -2.0400 -2.0400 -2.0400 -1.3715 -1.3715 -1.3715 -1.3715 -1.3591 -1.3591 -1.3591 -1.3591 -0.8272 -0.8272 -0.8272 -0.8272 -0.7918 -0.7918 -0.7918 -0.7918 4.9102 4.9102 4.9103 4.9103 4.9343 4.9343 4.9343 4.9343 5.7552 5.7552 5.7552 5.7552 k = 0.4444 0.3966 0.3320 ( 13596 PWs) bands (ev): -28.6877 -28.6877 -28.6877 -28.6877 -28.6876 -28.6876 -28.6875 -28.6875 -12.3722 -12.3722 -12.3721 -12.3721 -12.3709 -12.3709 -12.3709 -12.3709 -12.1207 -12.1207 -12.1207 -12.1207 -12.1164 -12.1164 -12.1164 -12.1164 -12.0937 -12.0937 -12.0937 -12.0937 -12.0892 -12.0892 -12.0892 -12.0892 -4.6965 -4.6965 -4.6965 -4.6965 -4.5995 -4.5995 -4.5995 -4.5995 -2.1116 -2.1116 -2.1116 -2.1116 -2.0178 -2.0178 -2.0178 -2.0178 -1.3752 -1.3752 -1.3751 -1.3751 -1.3571 -1.3571 -1.3570 -1.3570 -0.8375 -0.8375 -0.8375 -0.8375 -0.7851 -0.7851 -0.7851 -0.7851 4.9011 4.9011 4.9011 4.9011 4.9357 4.9357 4.9357 4.9357 5.7431 5.7431 5.7431 5.7431 k = 0.4259 0.3966 0.3320 ( 13580 PWs) bands (ev): -28.6877 -28.6877 -28.6877 -28.6877 -28.6875 -28.6875 -28.6875 -28.6875 -12.3723 -12.3723 -12.3723 -12.3723 -12.3707 -12.3707 -12.3706 -12.3706 -12.1206 -12.1206 -12.1206 -12.1206 -12.1163 -12.1163 -12.1163 -12.1163 -12.0940 -12.0940 -12.0940 -12.0940 -12.0891 -12.0891 -12.0891 -12.0891 -4.7148 -4.7148 -4.7148 -4.7148 -4.5865 -4.5865 -4.5865 -4.5865 -2.1172 -2.1172 -2.1172 -2.1172 -1.9934 -1.9934 -1.9934 -1.9934 -1.3789 -1.3789 -1.3789 -1.3789 -1.3554 -1.3554 -1.3554 -1.3554 -0.8481 -0.8481 -0.8481 -0.8481 -0.7796 -0.7796 -0.7796 -0.7796 4.8915 4.8915 4.8915 4.8915 4.9350 4.9350 4.9350 4.9350 5.7345 5.7345 5.7345 5.7345 k = 0.4074 0.3966 0.3320 ( 13560 PWs) bands (ev): -28.6877 -28.6877 -28.6877 -28.6877 -28.6875 -28.6875 -28.6875 -28.6875 -12.3724 -12.3724 -12.3724 -12.3724 -12.3704 -12.3704 -12.3704 -12.3704 -12.1204 -12.1204 -12.1204 -12.1204 -12.1161 -12.1161 -12.1161 -12.1161 -12.0943 -12.0943 -12.0943 -12.0943 -12.0889 -12.0889 -12.0889 -12.0889 -4.7335 -4.7335 -4.7335 -4.7335 -4.5747 -4.5747 -4.5747 -4.5747 -2.1197 -2.1197 -2.1197 -2.1197 -1.9669 -1.9669 -1.9669 -1.9669 -1.3827 -1.3827 -1.3827 -1.3827 -1.3543 -1.3543 -1.3543 -1.3543 -0.8588 -0.8588 -0.8588 -0.8588 -0.7755 -0.7755 -0.7755 -0.7755 4.8819 4.8819 4.8820 4.8820 4.9325 4.9325 4.9325 4.9325 5.7289 5.7289 5.7289 5.7289 k = 0.3889 0.3966 0.3320 ( 13588 PWs) bands (ev): -28.6878 -28.6878 -28.6878 -28.6878 -28.6875 -28.6875 -28.6875 -28.6875 -12.3725 -12.3725 -12.3725 -12.3725 -12.3701 -12.3701 -12.3701 -12.3701 -12.1203 -12.1203 -12.1203 -12.1203 -12.1160 -12.1160 -12.1160 -12.1160 -12.0946 -12.0946 -12.0946 -12.0946 -12.0887 -12.0887 -12.0887 -12.0887 -4.7523 -4.7523 -4.7523 -4.7523 -4.5640 -4.5640 -4.5640 -4.5640 -2.1192 -2.1192 -2.1192 -2.1192 -1.9386 -1.9386 -1.9386 -1.9386 -1.3864 -1.3864 -1.3864 -1.3864 -1.3537 -1.3537 -1.3537 -1.3537 -0.8697 -0.8697 -0.8697 -0.8697 -0.7729 -0.7729 -0.7729 -0.7729 4.8728 4.8728 4.8728 4.8728 4.9285 4.9285 4.9285 4.9285 5.7257 5.7257 5.7257 5.7257 k = 0.3704 0.3966 0.3320 ( 13588 PWs) bands (ev): -28.6878 -28.6878 -28.6878 -28.6878 -28.6875 -28.6875 -28.6874 -28.6874 -12.3726 -12.3726 -12.3726 -12.3726 -12.3699 -12.3699 -12.3698 -12.3698 -12.1201 -12.1201 -12.1201 -12.1201 -12.1158 -12.1158 -12.1158 -12.1158 -12.0950 -12.0950 -12.0950 -12.0950 -12.0885 -12.0885 -12.0885 -12.0885 -4.7711 -4.7711 -4.7711 -4.7711 -4.5545 -4.5545 -4.5545 -4.5545 -2.1157 -2.1157 -2.1157 -2.1157 -1.9087 -1.9087 -1.9087 -1.9087 -1.3899 -1.3899 -1.3899 -1.3899 -1.3537 -1.3537 -1.3537 -1.3537 -0.8806 -0.8806 -0.8806 -0.8806 -0.7720 -0.7720 -0.7720 -0.7720 4.8645 4.8645 4.8645 4.8645 4.9236 4.9236 4.9236 4.9236 5.7241 5.7241 5.7241 5.7241 k = 0.3519 0.3966 0.3320 ( 13608 PWs) bands (ev): -28.6878 -28.6878 -28.6878 -28.6878 -28.6874 -28.6874 -28.6874 -28.6874 -12.3727 -12.3727 -12.3727 -12.3727 -12.3696 -12.3696 -12.3695 -12.3695 -12.1198 -12.1198 -12.1198 -12.1198 -12.1156 -12.1156 -12.1156 -12.1156 -12.0954 -12.0954 -12.0954 -12.0954 -12.0883 -12.0883 -12.0883 -12.0883 -4.7899 -4.7899 -4.7899 -4.7899 -4.5462 -4.5462 -4.5462 -4.5462 -2.1092 -2.1092 -2.1092 -2.1092 -1.8774 -1.8774 -1.8774 -1.8774 -1.3931 -1.3931 -1.3930 -1.3930 -1.3542 -1.3542 -1.3541 -1.3541 -0.8914 -0.8914 -0.8914 -0.8914 -0.7730 -0.7730 -0.7730 -0.7730 4.8572 4.8572 4.8572 4.8572 4.9182 4.9182 4.9183 4.9183 5.7234 5.7234 5.7234 5.7234 k = 0.3333 0.3966 0.3320 ( 13600 PWs) bands (ev): -28.6879 -28.6879 -28.6878 -28.6878 -28.6874 -28.6874 -28.6874 -28.6874 -12.3727 -12.3727 -12.3727 -12.3727 -12.3693 -12.3693 -12.3693 -12.3693 -12.1196 -12.1196 -12.1196 -12.1196 -12.1154 -12.1154 -12.1154 -12.1154 -12.0958 -12.0958 -12.0958 -12.0958 -12.0881 -12.0881 -12.0881 -12.0881 -4.8084 -4.8084 -4.8084 -4.8084 -4.5391 -4.5391 -4.5391 -4.5391 -2.1000 -2.1000 -2.0999 -2.0999 -1.8449 -1.8449 -1.8449 -1.8449 -1.3958 -1.3958 -1.3958 -1.3958 -1.3551 -1.3551 -1.3551 -1.3551 -0.9022 -0.9022 -0.9022 -0.9022 -0.7759 -0.7759 -0.7759 -0.7759 4.8512 4.8512 4.8512 4.8512 4.9131 4.9131 4.9131 4.9131 5.7227 5.7227 5.7227 5.7227 k = 0.3148 0.3966 0.3320 ( 13596 PWs) bands (ev): -28.6879 -28.6879 -28.6879 -28.6879 -28.6874 -28.6874 -28.6874 -28.6874 -12.3728 -12.3728 -12.3727 -12.3727 -12.3690 -12.3690 -12.3690 -12.3690 -12.1193 -12.1193 -12.1193 -12.1193 -12.1152 -12.1152 -12.1152 -12.1152 -12.0962 -12.0962 -12.0962 -12.0962 -12.0880 -12.0880 -12.0880 -12.0880 -4.8266 -4.8266 -4.8266 -4.8266 -4.5331 -4.5331 -4.5331 -4.5331 -2.0881 -2.0881 -2.0881 -2.0881 -1.8116 -1.8116 -1.8116 -1.8116 -1.3979 -1.3979 -1.3979 -1.3979 -1.3564 -1.3564 -1.3564 -1.3564 -0.9129 -0.9129 -0.9129 -0.9129 -0.7809 -0.7809 -0.7809 -0.7809 4.8466 4.8466 4.8466 4.8466 4.9087 4.9087 4.9087 4.9087 5.7213 5.7213 5.7213 5.7213 k = 0.2963 0.3966 0.3320 ( 13592 PWs) bands (ev): -28.6879 -28.6879 -28.6879 -28.6879 -28.6874 -28.6874 -28.6874 -28.6874 -12.3728 -12.3728 -12.3727 -12.3727 -12.3687 -12.3687 -12.3687 -12.3687 -12.1190 -12.1190 -12.1190 -12.1190 -12.1150 -12.1150 -12.1150 -12.1150 -12.0966 -12.0966 -12.0966 -12.0966 -12.0878 -12.0878 -12.0878 -12.0878 -4.8443 -4.8443 -4.8443 -4.8443 -4.5282 -4.5282 -4.5282 -4.5282 -2.0738 -2.0738 -2.0738 -2.0738 -1.7777 -1.7777 -1.7777 -1.7777 -1.3993 -1.3993 -1.3993 -1.3993 -1.3582 -1.3582 -1.3581 -1.3581 -0.9235 -0.9235 -0.9235 -0.9235 -0.7882 -0.7882 -0.7882 -0.7882 4.8436 4.8436 4.8436 4.8436 4.9056 4.9056 4.9056 4.9056 5.7183 5.7183 5.7183 5.7183 k = 0.2778 0.3966 0.3320 ( 13592 PWs) bands (ev): -28.6879 -28.6879 -28.6879 -28.6879 -28.6874 -28.6874 -28.6873 -28.6873 -12.3728 -12.3728 -12.3728 -12.3728 -12.3684 -12.3684 -12.3684 -12.3684 -12.1186 -12.1186 -12.1186 -12.1186 -12.1147 -12.1147 -12.1147 -12.1147 -12.0971 -12.0971 -12.0971 -12.0971 -12.0876 -12.0876 -12.0876 -12.0876 -4.8615 -4.8615 -4.8615 -4.8615 -4.5243 -4.5243 -4.5243 -4.5243 -2.0574 -2.0574 -2.0573 -2.0573 -1.7434 -1.7434 -1.7434 -1.7434 -1.3998 -1.3998 -1.3998 -1.3998 -1.3601 -1.3601 -1.3601 -1.3601 -0.9340 -0.9340 -0.9340 -0.9340 -0.7977 -0.7977 -0.7977 -0.7977 4.8421 4.8421 4.8421 4.8421 4.9043 4.9043 4.9043 4.9043 5.6502 5.6502 5.6502 5.6502 k = 0.2593 0.3966 0.3320 ( 13604 PWs) bands (ev): -28.6880 -28.6880 -28.6879 -28.6879 -28.6874 -28.6874 -28.6873 -28.6873 -12.3728 -12.3728 -12.3728 -12.3728 -12.3681 -12.3681 -12.3681 -12.3681 -12.1183 -12.1183 -12.1183 -12.1183 -12.1145 -12.1145 -12.1145 -12.1145 -12.0975 -12.0975 -12.0975 -12.0975 -12.0874 -12.0874 -12.0874 -12.0874 -4.8780 -4.8780 -4.8780 -4.8780 -4.5213 -4.5213 -4.5213 -4.5213 -2.0391 -2.0391 -2.0391 -2.0391 -1.7091 -1.7091 -1.7091 -1.7091 -1.3992 -1.3992 -1.3992 -1.3992 -1.3623 -1.3623 -1.3623 -1.3623 -0.9445 -0.9445 -0.9445 -0.9445 -0.8096 -0.8096 -0.8096 -0.8096 4.8421 4.8421 4.8421 4.8421 4.9052 4.9052 4.9052 4.9052 5.5748 5.5748 5.5749 5.5749 k = 0.2407 0.3966 0.3320 ( 13600 PWs) bands (ev): -28.6880 -28.6880 -28.6880 -28.6880 -28.6873 -28.6873 -28.6873 -28.6873 -12.3728 -12.3728 -12.3728 -12.3728 -12.3678 -12.3678 -12.3678 -12.3678 -12.1179 -12.1179 -12.1179 -12.1179 -12.1143 -12.1143 -12.1143 -12.1143 -12.0980 -12.0980 -12.0980 -12.0980 -12.0873 -12.0873 -12.0873 -12.0873 -4.8938 -4.8938 -4.8938 -4.8938 -4.5191 -4.5191 -4.5191 -4.5191 -2.0194 -2.0194 -2.0194 -2.0194 -1.6750 -1.6750 -1.6750 -1.6750 -1.3973 -1.3973 -1.3973 -1.3973 -1.3645 -1.3645 -1.3645 -1.3645 -0.9549 -0.9549 -0.9549 -0.9549 -0.8238 -0.8238 -0.8238 -0.8238 4.8434 4.8434 4.8434 4.8434 4.9087 4.9087 4.9087 4.9087 5.5011 5.5011 5.5011 5.5011 k = 0.2222 0.3966 0.3320 ( 13608 PWs) bands (ev): -28.6880 -28.6880 -28.6880 -28.6880 -28.6873 -28.6873 -28.6873 -28.6873 -12.3728 -12.3728 -12.3727 -12.3727 -12.3676 -12.3676 -12.3676 -12.3676 -12.1175 -12.1175 -12.1175 -12.1175 -12.1140 -12.1140 -12.1140 -12.1140 -12.0985 -12.0985 -12.0985 -12.0985 -12.0871 -12.0871 -12.0871 -12.0871 -4.9088 -4.9088 -4.9088 -4.9088 -4.5177 -4.5177 -4.5177 -4.5177 -1.9987 -1.9987 -1.9987 -1.9987 -1.6415 -1.6415 -1.6415 -1.6415 -1.3940 -1.3940 -1.3940 -1.3940 -1.3665 -1.3665 -1.3665 -1.3665 -0.9654 -0.9654 -0.9654 -0.9654 -0.8404 -0.8404 -0.8404 -0.8404 4.8458 4.8458 4.8458 4.8458 4.9150 4.9150 4.9151 4.9151 5.4304 5.4304 5.4304 5.4304 k = 0.2037 0.3966 0.3320 ( 13616 PWs) bands (ev): -28.6880 -28.6880 -28.6880 -28.6880 -28.6873 -28.6873 -28.6873 -28.6873 -12.3728 -12.3728 -12.3727 -12.3727 -12.3673 -12.3673 -12.3673 -12.3673 -12.1171 -12.1171 -12.1171 -12.1171 -12.1138 -12.1138 -12.1138 -12.1138 -12.0989 -12.0989 -12.0989 -12.0989 -12.0870 -12.0870 -12.0870 -12.0870 -4.9228 -4.9228 -4.9228 -4.9228 -4.5168 -4.5168 -4.5168 -4.5168 -1.9773 -1.9773 -1.9773 -1.9773 -1.6089 -1.6089 -1.6089 -1.6089 -1.3889 -1.3889 -1.3889 -1.3889 -1.3682 -1.3682 -1.3681 -1.3681 -0.9759 -0.9759 -0.9759 -0.9759 -0.8592 -0.8592 -0.8592 -0.8592 4.8490 4.8490 4.8490 4.8490 4.9245 4.9245 4.9245 4.9245 5.3640 5.3640 5.3640 5.3640 k = 0.1852 0.3966 0.3320 ( 13592 PWs) bands (ev): -28.6880 -28.6880 -28.6880 -28.6880 -28.6873 -28.6873 -28.6873 -28.6873 -12.3727 -12.3727 -12.3727 -12.3727 -12.3671 -12.3671 -12.3671 -12.3671 -12.1167 -12.1167 -12.1167 -12.1167 -12.1136 -12.1136 -12.1136 -12.1136 -12.0994 -12.0994 -12.0994 -12.0994 -12.0869 -12.0869 -12.0869 -12.0869 -4.9358 -4.9358 -4.9358 -4.9358 -4.5165 -4.5165 -4.5165 -4.5165 -1.9559 -1.9559 -1.9558 -1.9558 -1.5778 -1.5778 -1.5778 -1.5778 -1.3819 -1.3819 -1.3818 -1.3818 -1.3691 -1.3691 -1.3691 -1.3691 -0.9865 -0.9865 -0.9865 -0.9865 -0.8804 -0.8804 -0.8803 -0.8803 4.8524 4.8524 4.8524 4.8524 4.9372 4.9372 4.9373 4.9373 5.3030 5.3030 5.3030 5.3030 k = 0.1667 0.3966 0.3320 ( 13596 PWs) bands (ev): -28.6881 -28.6881 -28.6880 -28.6880 -28.6873 -28.6873 -28.6873 -28.6873 -12.3727 -12.3727 -12.3727 -12.3727 -12.3669 -12.3669 -12.3668 -12.3668 -12.1163 -12.1163 -12.1163 -12.1163 -12.1134 -12.1134 -12.1134 -12.1134 -12.0999 -12.0999 -12.0998 -12.0998 -12.0868 -12.0868 -12.0867 -12.0867 -4.9478 -4.9478 -4.9478 -4.9478 -4.5166 -4.5166 -4.5166 -4.5166 -1.9348 -1.9348 -1.9348 -1.9348 -1.5487 -1.5487 -1.5487 -1.5487 -1.3730 -1.3730 -1.3730 -1.3730 -1.3687 -1.3687 -1.3687 -1.3687 -0.9972 -0.9972 -0.9972 -0.9972 -0.9036 -0.9036 -0.9036 -0.9036 4.8554 4.8554 4.8555 4.8555 4.9533 4.9533 4.9533 4.9533 5.2482 5.2482 5.2482 5.2482 k = 0.1481 0.3966 0.3320 ( 13600 PWs) bands (ev): -28.6881 -28.6881 -28.6880 -28.6880 -28.6873 -28.6873 -28.6873 -28.6873 -12.3727 -12.3727 -12.3726 -12.3726 -12.3667 -12.3667 -12.3666 -12.3666 -12.1159 -12.1159 -12.1159 -12.1159 -12.1132 -12.1132 -12.1132 -12.1132 -12.1003 -12.1003 -12.1003 -12.1003 -12.0867 -12.0867 -12.0866 -12.0866 -4.9587 -4.9587 -4.9587 -4.9587 -4.5170 -4.5170 -4.5170 -4.5170 -1.9146 -1.9146 -1.9146 -1.9146 -1.5222 -1.5222 -1.5222 -1.5222 -1.3685 -1.3685 -1.3685 -1.3685 -1.3602 -1.3602 -1.3602 -1.3602 -1.0080 -1.0080 -1.0080 -1.0080 -0.9288 -0.9288 -0.9288 -0.9288 4.8574 4.8574 4.8574 4.8574 4.9728 4.9728 4.9728 4.9728 5.2006 5.2006 5.2006 5.2006 k = 0.1296 0.3966 0.3320 ( 13608 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6873 -28.6873 -28.6872 -28.6872 -12.3726 -12.3726 -12.3726 -12.3726 -12.3665 -12.3665 -12.3664 -12.3664 -12.1155 -12.1155 -12.1155 -12.1155 -12.1131 -12.1131 -12.1131 -12.1131 -12.1007 -12.1007 -12.1007 -12.1007 -12.0866 -12.0866 -12.0866 -12.0866 -4.9685 -4.9685 -4.9685 -4.9685 -4.5175 -4.5175 -4.5175 -4.5175 -1.8958 -1.8958 -1.8958 -1.8958 -1.4992 -1.4992 -1.4992 -1.4992 -1.3651 -1.3651 -1.3651 -1.3651 -1.3460 -1.3460 -1.3460 -1.3460 -1.0188 -1.0188 -1.0188 -1.0188 -0.9558 -0.9558 -0.9558 -0.9558 4.8575 4.8575 4.8575 4.8575 4.9956 4.9956 4.9956 4.9956 5.1609 5.1609 5.1609 5.1609 k = 0.1111 0.3966 0.3320 ( 13612 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6873 -28.6873 -28.6872 -28.6872 -12.3726 -12.3726 -12.3726 -12.3726 -12.3663 -12.3663 -12.3663 -12.3663 -12.1151 -12.1151 -12.1151 -12.1151 -12.1129 -12.1129 -12.1129 -12.1129 -12.1011 -12.1011 -12.1011 -12.1011 -12.0865 -12.0865 -12.0865 -12.0865 -4.9770 -4.9770 -4.9770 -4.9770 -4.5182 -4.5182 -4.5182 -4.5182 -1.8788 -1.8788 -1.8788 -1.8788 -1.4804 -1.4804 -1.4804 -1.4804 -1.3594 -1.3594 -1.3594 -1.3594 -1.3289 -1.3289 -1.3289 -1.3289 -1.0294 -1.0294 -1.0294 -1.0294 -0.9843 -0.9843 -0.9843 -0.9843 4.8551 4.8551 4.8551 4.8551 5.0216 5.0216 5.0216 5.0216 5.1297 5.1297 5.1297 5.1297 k = 0.0926 0.3966 0.3320 ( 13608 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6873 -28.6873 -28.6872 -28.6872 -12.3726 -12.3726 -12.3726 -12.3726 -12.3662 -12.3662 -12.3661 -12.3661 -12.1148 -12.1148 -12.1147 -12.1147 -12.1128 -12.1128 -12.1128 -12.1128 -12.1014 -12.1014 -12.1014 -12.1014 -12.0864 -12.0864 -12.0864 -12.0864 -4.9843 -4.9843 -4.9843 -4.9843 -4.5190 -4.5190 -4.5190 -4.5190 -1.8640 -1.8640 -1.8640 -1.8640 -1.4663 -1.4663 -1.4663 -1.4663 -1.3512 -1.3512 -1.3512 -1.3512 -1.3091 -1.3091 -1.3091 -1.3091 -1.0397 -1.0397 -1.0397 -1.0397 -1.0141 -1.0141 -1.0141 -1.0141 4.8503 4.8503 4.8503 4.8503 5.0506 5.0506 5.0506 5.0506 5.1068 5.1068 5.1068 5.1068 k = 0.0741 0.3966 0.3320 ( 13624 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6873 -28.6873 -28.6872 -28.6872 -12.3726 -12.3726 -12.3725 -12.3725 -12.3661 -12.3661 -12.3660 -12.3660 -12.1144 -12.1144 -12.1144 -12.1144 -12.1128 -12.1128 -12.1127 -12.1127 -12.1017 -12.1017 -12.1017 -12.1017 -12.0864 -12.0864 -12.0864 -12.0864 -4.9903 -4.9903 -4.9903 -4.9903 -4.5197 -4.5197 -4.5197 -4.5197 -1.8517 -1.8517 -1.8516 -1.8516 -1.4565 -1.4565 -1.4565 -1.4565 -1.3414 -1.3414 -1.3414 -1.3414 -1.2867 -1.2867 -1.2867 -1.2867 -1.0496 -1.0496 -1.0496 -1.0496 -1.0444 -1.0444 -1.0444 -1.0444 4.8436 4.8436 4.8436 4.8436 5.0821 5.0821 5.0821 5.0821 5.0913 5.0913 5.0913 5.0913 k = 0.0556 0.3966 0.3320 ( 13624 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6872 -28.6872 -28.6872 -28.6872 -12.3726 -12.3726 -12.3725 -12.3725 -12.3660 -12.3660 -12.3659 -12.3659 -12.1142 -12.1142 -12.1142 -12.1142 -12.1127 -12.1127 -12.1127 -12.1127 -12.1020 -12.1020 -12.1020 -12.1020 -12.0863 -12.0863 -12.0863 -12.0863 -4.9950 -4.9950 -4.9950 -4.9950 -4.5203 -4.5203 -4.5203 -4.5203 -1.8419 -1.8419 -1.8419 -1.8419 -1.4503 -1.4503 -1.4503 -1.4503 -1.3313 -1.3313 -1.3313 -1.3313 -1.2620 -1.2620 -1.2620 -1.2620 -1.0763 -1.0763 -1.0763 -1.0763 -1.0574 -1.0574 -1.0574 -1.0574 4.8363 4.8363 4.8364 4.8364 5.0817 5.0817 5.0817 5.0817 5.1156 5.1156 5.1156 5.1156 k = 0.0370 0.3966 0.3320 ( 13620 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6872 -28.6872 -28.6872 -28.6872 -12.3725 -12.3725 -12.3725 -12.3725 -12.3659 -12.3659 -12.3659 -12.3659 -12.1140 -12.1140 -12.1139 -12.1139 -12.1127 -12.1127 -12.1127 -12.1127 -12.1022 -12.1022 -12.1021 -12.1021 -12.0863 -12.0863 -12.0863 -12.0863 -4.9983 -4.9983 -4.9983 -4.9983 -4.5207 -4.5207 -4.5207 -4.5207 -1.8349 -1.8349 -1.8348 -1.8348 -1.4466 -1.4466 -1.4466 -1.4466 -1.3225 -1.3225 -1.3225 -1.3225 -1.2356 -1.2356 -1.2356 -1.2356 -1.1073 -1.1073 -1.1073 -1.1073 -1.0641 -1.0641 -1.0641 -1.0641 4.8299 4.8299 4.8299 4.8299 5.0763 5.0763 5.0763 5.0763 5.1493 5.1493 5.1494 5.1494 k = 0.0185 0.3966 0.3320 ( 13604 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6872 -28.6872 -28.6872 -28.6872 -12.3725 -12.3725 -12.3725 -12.3725 -12.3659 -12.3659 -12.3658 -12.3658 -12.1138 -12.1138 -12.1138 -12.1138 -12.1127 -12.1127 -12.1127 -12.1127 -12.1023 -12.1023 -12.1022 -12.1022 -12.0863 -12.0863 -12.0862 -12.0862 -5.0003 -5.0003 -5.0003 -5.0003 -4.5210 -4.5210 -4.5210 -4.5210 -1.8306 -1.8306 -1.8306 -1.8306 -1.4447 -1.4447 -1.4447 -1.4447 -1.3166 -1.3166 -1.3166 -1.3166 -1.2088 -1.2088 -1.2088 -1.2088 -1.1369 -1.1369 -1.1369 -1.1369 -1.0684 -1.0684 -1.0684 -1.0684 4.8256 4.8256 4.8256 4.8256 5.0737 5.0737 5.0737 5.0737 5.1794 5.1794 5.1794 5.1794 k = 0.0000 0.3966 0.3320 ( 13604 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6872 -28.6872 -28.6872 -28.6872 -12.3725 -12.3725 -12.3725 -12.3725 -12.3658 -12.3658 -12.3658 -12.3658 -12.1138 -12.1138 -12.1137 -12.1137 -12.1127 -12.1127 -12.1127 -12.1127 -12.1023 -12.1023 -12.1023 -12.1023 -12.0863 -12.0863 -12.0862 -12.0862 -5.0010 -5.0010 -5.0010 -5.0010 -4.5211 -4.5211 -4.5211 -4.5211 -1.8292 -1.8292 -1.8292 -1.8292 -1.4441 -1.4441 -1.4441 -1.4441 -1.3146 -1.3146 -1.3146 -1.3146 -1.1917 -1.1917 -1.1917 -1.1917 -1.1550 -1.1550 -1.1550 -1.1550 -1.0700 -1.0700 -1.0700 -1.0700 4.8240 4.8240 4.8240 4.8240 5.0729 5.0729 5.0729 5.0729 5.1936 5.1936 5.1937 5.1937 k = 0.0000 0.3966 0.3320 ( 13604 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6872 -28.6872 -28.6872 -28.6872 -12.3725 -12.3725 -12.3725 -12.3725 -12.3658 -12.3658 -12.3658 -12.3658 -12.1138 -12.1138 -12.1137 -12.1137 -12.1127 -12.1127 -12.1127 -12.1127 -12.1023 -12.1023 -12.1023 -12.1023 -12.0863 -12.0863 -12.0862 -12.0862 -5.0010 -5.0010 -5.0010 -5.0010 -4.5211 -4.5211 -4.5211 -4.5211 -1.8292 -1.8292 -1.8292 -1.8292 -1.4441 -1.4441 -1.4441 -1.4441 -1.3146 -1.3146 -1.3146 -1.3146 -1.1917 -1.1917 -1.1917 -1.1917 -1.1550 -1.1550 -1.1550 -1.1550 -1.0700 -1.0700 -1.0700 -1.0700 4.8240 4.8240 4.8240 4.8240 5.0729 5.0729 5.0729 5.0729 5.1936 5.1936 5.1937 5.1937 k = 0.0000 0.3785 0.3320 ( 13602 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6872 -28.6872 -28.6872 -28.6872 -12.3726 -12.3726 -12.3725 -12.3725 -12.3658 -12.3658 -12.3658 -12.3658 -12.1142 -12.1142 -12.1142 -12.1142 -12.1122 -12.1122 -12.1122 -12.1122 -12.1023 -12.1023 -12.1023 -12.1023 -12.0863 -12.0863 -12.0862 -12.0862 -5.0022 -5.0022 -5.0022 -5.0022 -4.5198 -4.5198 -4.5198 -4.5198 -1.8299 -1.8299 -1.8298 -1.8298 -1.4439 -1.4439 -1.4439 -1.4439 -1.3163 -1.3163 -1.3163 -1.3163 -1.1897 -1.1897 -1.1897 -1.1897 -1.1556 -1.1556 -1.1556 -1.1556 -1.0687 -1.0687 -1.0687 -1.0687 4.8216 4.8216 4.8216 4.8216 5.0683 5.0683 5.0683 5.0683 5.1993 5.1993 5.1994 5.1994 k = 0.0000 0.3605 0.3320 ( 13594 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6872 -28.6872 -28.6872 -28.6872 -12.3727 -12.3727 -12.3727 -12.3727 -12.3656 -12.3656 -12.3656 -12.3656 -12.1150 -12.1150 -12.1150 -12.1150 -12.1114 -12.1114 -12.1113 -12.1113 -12.1023 -12.1023 -12.1023 -12.1023 -12.0863 -12.0863 -12.0863 -12.0863 -5.0057 -5.0057 -5.0057 -5.0057 -4.5160 -4.5160 -4.5160 -4.5160 -1.8317 -1.8317 -1.8317 -1.8317 -1.4434 -1.4434 -1.4434 -1.4434 -1.3212 -1.3212 -1.3212 -1.3212 -1.1843 -1.1843 -1.1843 -1.1843 -1.1572 -1.1572 -1.1572 -1.1572 -1.0652 -1.0652 -1.0652 -1.0652 4.8144 4.8144 4.8144 4.8144 5.0565 5.0565 5.0566 5.0566 5.2145 5.2145 5.2145 5.2145 k = 0.0000 0.3425 0.3320 ( 13590 PWs) bands (ev): -28.6882 -28.6882 -28.6881 -28.6881 -28.6872 -28.6872 -28.6872 -28.6872 -12.3729 -12.3729 -12.3729 -12.3729 -12.3654 -12.3654 -12.3654 -12.3654 -12.1158 -12.1158 -12.1158 -12.1158 -12.1105 -12.1105 -12.1105 -12.1105 -12.1023 -12.1023 -12.1023 -12.1023 -12.0863 -12.0863 -12.0863 -12.0863 -5.0113 -5.0113 -5.0113 -5.0113 -4.5099 -4.5099 -4.5098 -4.5098 -1.8347 -1.8347 -1.8347 -1.8347 -1.4427 -1.4427 -1.4426 -1.4426 -1.3285 -1.3285 -1.3285 -1.3285 -1.1761 -1.1761 -1.1761 -1.1761 -1.1596 -1.1596 -1.1596 -1.1596 -1.0598 -1.0598 -1.0598 -1.0598 4.8031 4.8031 4.8031 4.8031 5.0413 5.0413 5.0414 5.0414 5.2357 5.2357 5.2357 5.2357 k = 0.0000 0.3245 0.3320 ( 13584 PWs) bands (ev): -28.6882 -28.6882 -28.6882 -28.6882 -28.6872 -28.6872 -28.6872 -28.6872 -12.3732 -12.3732 -12.3731 -12.3731 -12.3651 -12.3651 -12.3651 -12.3651 -12.1166 -12.1166 -12.1166 -12.1166 -12.1096 -12.1096 -12.1096 -12.1096 -12.1022 -12.1022 -12.1022 -12.1022 -12.0864 -12.0864 -12.0864 -12.0864 -5.0188 -5.0188 -5.0188 -5.0188 -4.5016 -4.5016 -4.5016 -4.5016 -1.8387 -1.8387 -1.8387 -1.8387 -1.4418 -1.4418 -1.4418 -1.4418 -1.3375 -1.3375 -1.3374 -1.3374 -1.1662 -1.1662 -1.1662 -1.1662 -1.1620 -1.1620 -1.1620 -1.1620 -1.0528 -1.0528 -1.0528 -1.0528 4.7886 4.7886 4.7886 4.7886 5.0254 5.0254 5.0254 5.0254 5.2473 5.2473 5.2473 5.2473 k = 0.0000 0.3064 0.3320 ( 13574 PWs) bands (ev): -28.6882 -28.6882 -28.6882 -28.6882 -28.6872 -28.6872 -28.6871 -28.6871 -12.3735 -12.3735 -12.3734 -12.3734 -12.3648 -12.3648 -12.3648 -12.3648 -12.1173 -12.1173 -12.1173 -12.1173 -12.1087 -12.1087 -12.1087 -12.1087 -12.1022 -12.1022 -12.1022 -12.1022 -12.0865 -12.0865 -12.0865 -12.0865 -5.0279 -5.0279 -5.0279 -5.0279 -4.4917 -4.4917 -4.4917 -4.4917 -1.8436 -1.8436 -1.8435 -1.8435 -1.4409 -1.4409 -1.4409 -1.4409 -1.3473 -1.3473 -1.3473 -1.3473 -1.1653 -1.1653 -1.1653 -1.1653 -1.1543 -1.1543 -1.1543 -1.1543 -1.0446 -1.0446 -1.0446 -1.0446 4.7719 4.7719 4.7719 4.7719 5.0103 5.0103 5.0103 5.0103 5.2180 5.2180 5.2180 5.2180 k = 0.0000 0.2884 0.3320 ( 13574 PWs) bands (ev): -28.6882 -28.6882 -28.6882 -28.6882 -28.6871 -28.6871 -28.6871 -28.6871 -12.3738 -12.3738 -12.3738 -12.3738 -12.3644 -12.3644 -12.3644 -12.3644 -12.1180 -12.1180 -12.1180 -12.1180 -12.1079 -12.1079 -12.1079 -12.1079 -12.1021 -12.1021 -12.1021 -12.1021 -12.0866 -12.0866 -12.0866 -12.0866 -5.0381 -5.0381 -5.0381 -5.0381 -4.4804 -4.4804 -4.4804 -4.4804 -1.8490 -1.8490 -1.8490 -1.8490 -1.4401 -1.4401 -1.4401 -1.4401 -1.3576 -1.3576 -1.3576 -1.3576 -1.1678 -1.1678 -1.1678 -1.1678 -1.1422 -1.1422 -1.1422 -1.1422 -1.0357 -1.0357 -1.0357 -1.0357 4.7539 4.7539 4.7539 4.7539 4.9969 4.9969 4.9969 4.9969 5.1849 5.1849 5.1849 5.1849 k = 0.0000 0.2704 0.3320 ( 13566 PWs) bands (ev): -28.6882 -28.6882 -28.6882 -28.6882 -28.6871 -28.6871 -28.6871 -28.6871 -12.3741 -12.3741 -12.3741 -12.3741 -12.3640 -12.3640 -12.3640 -12.3640 -12.1187 -12.1187 -12.1187 -12.1187 -12.1071 -12.1071 -12.1071 -12.1071 -12.1020 -12.1020 -12.1019 -12.1019 -12.0867 -12.0867 -12.0867 -12.0867 -5.0492 -5.0492 -5.0492 -5.0492 -4.4681 -4.4681 -4.4681 -4.4681 -1.8549 -1.8549 -1.8549 -1.8549 -1.4396 -1.4396 -1.4396 -1.4396 -1.3680 -1.3680 -1.3680 -1.3680 -1.1700 -1.1700 -1.1700 -1.1700 -1.1297 -1.1297 -1.1297 -1.1297 -1.0263 -1.0263 -1.0263 -1.0263 4.7356 4.7356 4.7356 4.7356 4.9858 4.9858 4.9858 4.9858 5.1493 5.1493 5.1493 5.1493 k = 0.0000 0.2524 0.3320 ( 13562 PWs) bands (ev): -28.6883 -28.6883 -28.6883 -28.6883 -28.6871 -28.6871 -28.6870 -28.6870 -12.3744 -12.3744 -12.3744 -12.3744 -12.3636 -12.3636 -12.3636 -12.3636 -12.1194 -12.1194 -12.1194 -12.1194 -12.1064 -12.1064 -12.1064 -12.1064 -12.1018 -12.1018 -12.1017 -12.1017 -12.0869 -12.0869 -12.0869 -12.0869 -5.0609 -5.0609 -5.0609 -5.0609 -4.4552 -4.4552 -4.4552 -4.4552 -1.8610 -1.8610 -1.8610 -1.8610 -1.4395 -1.4395 -1.4395 -1.4395 -1.3783 -1.3783 -1.3783 -1.3783 -1.1718 -1.1718 -1.1718 -1.1718 -1.1171 -1.1171 -1.1171 -1.1171 -1.0166 -1.0166 -1.0166 -1.0166 4.7179 4.7179 4.7179 4.7179 4.9773 4.9773 4.9773 4.9773 5.1121 5.1121 5.1121 5.1121 k = 0.0000 0.2343 0.3320 ( 13556 PWs) bands (ev): -28.6883 -28.6883 -28.6883 -28.6883 -28.6870 -28.6870 -28.6870 -28.6870 -12.3748 -12.3748 -12.3748 -12.3748 -12.3632 -12.3632 -12.3632 -12.3632 -12.1200 -12.1200 -12.1200 -12.1200 -12.1058 -12.1058 -12.1058 -12.1058 -12.1015 -12.1015 -12.1015 -12.1015 -12.0871 -12.0871 -12.0871 -12.0871 -5.0728 -5.0728 -5.0728 -5.0728 -4.4419 -4.4419 -4.4419 -4.4419 -1.8671 -1.8671 -1.8671 -1.8671 -1.4398 -1.4398 -1.4398 -1.4398 -1.3882 -1.3882 -1.3882 -1.3882 -1.1731 -1.1731 -1.1731 -1.1731 -1.1047 -1.1047 -1.1047 -1.1047 -1.0068 -1.0068 -1.0068 -1.0068 4.7013 4.7013 4.7013 4.7013 4.9715 4.9715 4.9715 4.9715 5.0743 5.0743 5.0743 5.0743 k = 0.0000 0.2163 0.3320 ( 13558 PWs) bands (ev): -28.6883 -28.6883 -28.6883 -28.6883 -28.6870 -28.6870 -28.6870 -28.6870 -12.3751 -12.3751 -12.3751 -12.3751 -12.3628 -12.3628 -12.3628 -12.3628 -12.1206 -12.1206 -12.1206 -12.1206 -12.1053 -12.1053 -12.1053 -12.1053 -12.1011 -12.1011 -12.1011 -12.1011 -12.0873 -12.0873 -12.0873 -12.0873 -5.0847 -5.0847 -5.0847 -5.0847 -4.4287 -4.4287 -4.4286 -4.4286 -1.8731 -1.8731 -1.8731 -1.8731 -1.4405 -1.4405 -1.4405 -1.4405 -1.3978 -1.3978 -1.3978 -1.3978 -1.1740 -1.1740 -1.1740 -1.1740 -1.0925 -1.0925 -1.0925 -1.0925 -0.9971 -0.9971 -0.9971 -0.9971 4.6864 4.6864 4.6864 4.6864 4.9685 4.9685 4.9685 4.9685 5.0367 5.0367 5.0367 5.0367 k = 0.0000 0.1983 0.3320 ( 13554 PWs) bands (ev): -28.6884 -28.6884 -28.6884 -28.6884 -28.6870 -28.6870 -28.6870 -28.6870 -12.3754 -12.3754 -12.3754 -12.3754 -12.3624 -12.3624 -12.3624 -12.3624 -12.1211 -12.1211 -12.1211 -12.1211 -12.1049 -12.1049 -12.1049 -12.1049 -12.1005 -12.1005 -12.1005 -12.1005 -12.0875 -12.0875 -12.0875 -12.0875 -5.0964 -5.0964 -5.0964 -5.0964 -4.4156 -4.4156 -4.4156 -4.4156 -1.8789 -1.8789 -1.8789 -1.8789 -1.4416 -1.4416 -1.4416 -1.4416 -1.4068 -1.4068 -1.4068 -1.4068 -1.1745 -1.1745 -1.1745 -1.1745 -1.0808 -1.0808 -1.0808 -1.0808 -0.9876 -0.9876 -0.9876 -0.9876 4.6735 4.6735 4.6735 4.6735 4.9682 4.9682 4.9682 4.9682 5.0001 5.0001 5.0001 5.0001 k = 0.0000 0.1803 0.3320 ( 13544 PWs) bands (ev): -28.6884 -28.6884 -28.6884 -28.6884 -28.6869 -28.6869 -28.6869 -28.6869 -12.3757 -12.3757 -12.3757 -12.3757 -12.3621 -12.3621 -12.3620 -12.3620 -12.1216 -12.1216 -12.1216 -12.1216 -12.1047 -12.1047 -12.1047 -12.1047 -12.0999 -12.0999 -12.0999 -12.0999 -12.0878 -12.0878 -12.0878 -12.0878 -5.1077 -5.1077 -5.1077 -5.1077 -4.4030 -4.4030 -4.4030 -4.4030 -1.8843 -1.8843 -1.8842 -1.8842 -1.4430 -1.4430 -1.4430 -1.4430 -1.4152 -1.4152 -1.4152 -1.4152 -1.1747 -1.1747 -1.1747 -1.1747 -1.0697 -1.0697 -1.0697 -1.0697 -0.9785 -0.9785 -0.9785 -0.9785 4.6628 4.6628 4.6628 4.6628 4.9646 4.9646 4.9646 4.9646 4.9711 4.9711 4.9711 4.9711 k = 0.0000 0.1622 0.3320 ( 13546 PWs) bands (ev): -28.6884 -28.6884 -28.6884 -28.6884 -28.6869 -28.6869 -28.6869 -28.6869 -12.3760 -12.3760 -12.3760 -12.3760 -12.3617 -12.3617 -12.3617 -12.3617 -12.1221 -12.1221 -12.1221 -12.1221 -12.1045 -12.1045 -12.1045 -12.1045 -12.0992 -12.0992 -12.0992 -12.0992 -12.0881 -12.0881 -12.0881 -12.0881 -5.1183 -5.1183 -5.1183 -5.1183 -4.3910 -4.3910 -4.3910 -4.3910 -1.8892 -1.8892 -1.8892 -1.8892 -1.4448 -1.4448 -1.4448 -1.4448 -1.4230 -1.4230 -1.4230 -1.4230 -1.1746 -1.1746 -1.1746 -1.1746 -1.0593 -1.0593 -1.0593 -1.0593 -0.9698 -0.9698 -0.9698 -0.9698 4.6542 4.6542 4.6542 4.6542 4.9316 4.9316 4.9316 4.9316 4.9761 4.9761 4.9761 4.9761 k = 0.0000 0.1442 0.3320 ( 13564 PWs) bands (ev): -28.6885 -28.6885 -28.6884 -28.6884 -28.6869 -28.6869 -28.6869 -28.6869 -12.3763 -12.3763 -12.3763 -12.3763 -12.3614 -12.3614 -12.3614 -12.3614 -12.1225 -12.1225 -12.1225 -12.1225 -12.1044 -12.1044 -12.1044 -12.1044 -12.0985 -12.0985 -12.0985 -12.0985 -12.0884 -12.0884 -12.0884 -12.0884 -5.1282 -5.1282 -5.1281 -5.1281 -4.3799 -4.3799 -4.3799 -4.3799 -1.8937 -1.8937 -1.8937 -1.8937 -1.4467 -1.4467 -1.4467 -1.4467 -1.4300 -1.4300 -1.4300 -1.4300 -1.1743 -1.1743 -1.1743 -1.1743 -1.0498 -1.0498 -1.0498 -1.0498 -0.9619 -0.9619 -0.9619 -0.9619 4.6477 4.6477 4.6477 4.6477 4.9009 4.9009 4.9009 4.9009 4.9839 4.9839 4.9839 4.9839 k = 0.0000 0.1262 0.3320 ( 13568 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6869 -28.6869 -28.6869 -28.6869 -12.3765 -12.3765 -12.3765 -12.3765 -12.3611 -12.3611 -12.3611 -12.3611 -12.1228 -12.1228 -12.1228 -12.1228 -12.1043 -12.1043 -12.1043 -12.1043 -12.0978 -12.0978 -12.0978 -12.0978 -12.0888 -12.0888 -12.0888 -12.0888 -5.1371 -5.1371 -5.1371 -5.1371 -4.3698 -4.3698 -4.3698 -4.3698 -1.8976 -1.8976 -1.8976 -1.8976 -1.4488 -1.4488 -1.4488 -1.4488 -1.4361 -1.4361 -1.4361 -1.4361 -1.1740 -1.1740 -1.1740 -1.1740 -1.0411 -1.0411 -1.0411 -1.0411 -0.9546 -0.9546 -0.9546 -0.9546 4.6430 4.6430 4.6430 4.6430 4.8730 4.8730 4.8730 4.8730 4.9940 4.9940 4.9940 4.9940 k = 0.0000 0.1082 0.3320 ( 13570 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3767 -12.3767 -12.3767 -12.3767 -12.3609 -12.3609 -12.3609 -12.3609 -12.1232 -12.1232 -12.1232 -12.1232 -12.1043 -12.1043 -12.1043 -12.1043 -12.0970 -12.0970 -12.0970 -12.0970 -12.0891 -12.0891 -12.0891 -12.0891 -5.1451 -5.1451 -5.1451 -5.1451 -4.3607 -4.3607 -4.3607 -4.3607 -1.9010 -1.9010 -1.9010 -1.9010 -1.4510 -1.4510 -1.4510 -1.4510 -1.4414 -1.4414 -1.4414 -1.4414 -1.1736 -1.1736 -1.1736 -1.1736 -1.0334 -1.0334 -1.0334 -1.0334 -0.9481 -0.9481 -0.9481 -0.9481 4.6399 4.6399 4.6399 4.6399 4.8483 4.8483 4.8483 4.8483 5.0061 5.0061 5.0061 5.0061 k = 0.0000 0.0901 0.3320 ( 13562 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3769 -12.3769 -12.3769 -12.3769 -12.3607 -12.3607 -12.3607 -12.3607 -12.1234 -12.1234 -12.1234 -12.1234 -12.1043 -12.1043 -12.1043 -12.1043 -12.0963 -12.0963 -12.0963 -12.0963 -12.0895 -12.0895 -12.0895 -12.0895 -5.1520 -5.1520 -5.1520 -5.1520 -4.3529 -4.3529 -4.3529 -4.3529 -1.9038 -1.9038 -1.9038 -1.9038 -1.4532 -1.4532 -1.4532 -1.4532 -1.4458 -1.4458 -1.4458 -1.4458 -1.1731 -1.1731 -1.1731 -1.1731 -1.0267 -1.0267 -1.0267 -1.0267 -0.9425 -0.9425 -0.9425 -0.9425 4.6380 4.6380 4.6380 4.6380 4.8269 4.8269 4.8269 4.8269 5.0196 5.0196 5.0196 5.0196 k = 0.0000 0.0721 0.3320 ( 13554 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3770 -12.3770 -12.3770 -12.3770 -12.3605 -12.3605 -12.3605 -12.3605 -12.1236 -12.1236 -12.1236 -12.1236 -12.1043 -12.1043 -12.1042 -12.1042 -12.0956 -12.0956 -12.0956 -12.0956 -12.0899 -12.0899 -12.0899 -12.0899 -5.1577 -5.1577 -5.1577 -5.1577 -4.3464 -4.3464 -4.3464 -4.3464 -1.9061 -1.9061 -1.9061 -1.9061 -1.4554 -1.4554 -1.4554 -1.4554 -1.4491 -1.4491 -1.4491 -1.4491 -1.1727 -1.1727 -1.1727 -1.1727 -1.0212 -1.0212 -1.0212 -1.0212 -0.9378 -0.9378 -0.9378 -0.9378 4.6371 4.6371 4.6371 4.6371 4.8092 4.8092 4.8092 4.8092 5.0336 5.0336 5.0336 5.0336 k = 0.0000 0.0541 0.3320 ( 13538 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3771 -12.3771 -12.3771 -12.3771 -12.3603 -12.3603 -12.3603 -12.3603 -12.1238 -12.1238 -12.1238 -12.1238 -12.1043 -12.1043 -12.1042 -12.1042 -12.0950 -12.0950 -12.0950 -12.0950 -12.0904 -12.0904 -12.0903 -12.0903 -5.1622 -5.1622 -5.1622 -5.1622 -4.3413 -4.3413 -4.3413 -4.3413 -1.9078 -1.9078 -1.9078 -1.9078 -1.4573 -1.4573 -1.4573 -1.4573 -1.4515 -1.4515 -1.4515 -1.4515 -1.1724 -1.1724 -1.1724 -1.1724 -1.0169 -1.0169 -1.0169 -1.0169 -0.9342 -0.9342 -0.9342 -0.9342 4.6368 4.6368 4.6368 4.6368 4.7952 4.7952 4.7952 4.7952 5.0471 5.0471 5.0471 5.0471 k = 0.0000 0.0361 0.3320 ( 13538 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3772 -12.3772 -12.3772 -12.3772 -12.3602 -12.3602 -12.3602 -12.3602 -12.1239 -12.1239 -12.1239 -12.1239 -12.1043 -12.1043 -12.1042 -12.1042 -12.0944 -12.0944 -12.0944 -12.0944 -12.0908 -12.0908 -12.0907 -12.0907 -5.1655 -5.1655 -5.1655 -5.1655 -4.3376 -4.3376 -4.3376 -4.3376 -1.9090 -1.9090 -1.9090 -1.9090 -1.4589 -1.4589 -1.4589 -1.4589 -1.4531 -1.4531 -1.4531 -1.4531 -1.1722 -1.1722 -1.1722 -1.1722 -1.0137 -1.0137 -1.0137 -1.0137 -0.9315 -0.9315 -0.9315 -0.9315 4.6368 4.6368 4.6368 4.6368 4.7851 4.7851 4.7851 4.7851 5.0585 5.0585 5.0586 5.0586 k = 0.0000 0.0180 0.3320 ( 13532 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3772 -12.3772 -12.3772 -12.3772 -12.3602 -12.3602 -12.3601 -12.3601 -12.1240 -12.1240 -12.1240 -12.1240 -12.1043 -12.1043 -12.1042 -12.1042 -12.0940 -12.0940 -12.0940 -12.0940 -12.0911 -12.0911 -12.0910 -12.0910 -5.1675 -5.1675 -5.1675 -5.1675 -4.3353 -4.3353 -4.3353 -4.3353 -1.9098 -1.9098 -1.9098 -1.9098 -1.4600 -1.4600 -1.4600 -1.4600 -1.4540 -1.4540 -1.4540 -1.4540 -1.1720 -1.1720 -1.1720 -1.1720 -1.0118 -1.0118 -1.0118 -1.0118 -0.9299 -0.9299 -0.9299 -0.9299 4.6368 4.6368 4.6369 4.6369 4.7790 4.7790 4.7790 4.7790 5.0663 5.0663 5.0663 5.0663 k = 0.0000 0.0000 0.3320 ( 13528 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3773 -12.3773 -12.3772 -12.3772 -12.3601 -12.3601 -12.3601 -12.3601 -12.1240 -12.1240 -12.1240 -12.1240 -12.1043 -12.1043 -12.1042 -12.1042 -12.0938 -12.0938 -12.0938 -12.0938 -12.0912 -12.0912 -12.0912 -12.0912 -5.1681 -5.1681 -5.1681 -5.1681 -4.3346 -4.3346 -4.3346 -4.3346 -1.9100 -1.9100 -1.9100 -1.9100 -1.4603 -1.4603 -1.4603 -1.4603 -1.4543 -1.4543 -1.4543 -1.4543 -1.1720 -1.1720 -1.1719 -1.1719 -1.0112 -1.0112 -1.0112 -1.0112 -0.9294 -0.9294 -0.9294 -0.9294 4.6369 4.6369 4.6369 4.6369 4.7770 4.7770 4.7770 4.7770 5.0691 5.0691 5.0691 5.0691 k = 0.0000 0.3966-0.0000 ( 13526 PWs) bands (ev): -28.6888 -28.6888 -28.6888 -28.6888 -28.6865 -28.6865 -28.6865 -28.6865 -12.3776 -12.3776 -12.3776 -12.3776 -12.3619 -12.3619 -12.3618 -12.3618 -12.1232 -12.1232 -12.1232 -12.1232 -12.1124 -12.1124 -12.1124 -12.1124 -12.0990 -12.0990 -12.0990 -12.0990 -12.0786 -12.0786 -12.0786 -12.0786 -5.0935 -5.0935 -5.0935 -5.0935 -4.3654 -4.3654 -4.3654 -4.3654 -2.0099 -2.0099 -2.0099 -2.0099 -1.5097 -1.5097 -1.5096 -1.5096 -1.3170 -1.3170 -1.3170 -1.3170 -1.1894 -1.1894 -1.1894 -1.1894 -1.1818 -1.1818 -1.1817 -1.1817 -0.8666 -0.8666 -0.8666 -0.8666 4.6113 4.6113 4.6113 4.6113 5.2084 5.2084 5.2084 5.2084 5.4360 5.4360 5.4360 5.4360 k = 0.0000 0.3966 0.0184 ( 13534 PWs) bands (ev): -28.6888 -28.6888 -28.6888 -28.6888 -28.6866 -28.6866 -28.6865 -28.6865 -12.3776 -12.3776 -12.3776 -12.3776 -12.3619 -12.3619 -12.3619 -12.3619 -12.1232 -12.1232 -12.1232 -12.1232 -12.1124 -12.1124 -12.1124 -12.1124 -12.0991 -12.0991 -12.0991 -12.0991 -12.0786 -12.0786 -12.0786 -12.0786 -5.0929 -5.0929 -5.0929 -5.0929 -4.3664 -4.3664 -4.3664 -4.3664 -2.0086 -2.0086 -2.0086 -2.0086 -1.5092 -1.5092 -1.5092 -1.5092 -1.3170 -1.3170 -1.3170 -1.3170 -1.1895 -1.1895 -1.1895 -1.1895 -1.1820 -1.1820 -1.1820 -1.1820 -0.8675 -0.8675 -0.8675 -0.8675 4.6129 4.6129 4.6129 4.6129 5.2091 5.2091 5.2091 5.2091 5.4307 5.4307 5.4307 5.4307 k = 0.0000 0.3966 0.0369 ( 13542 PWs) bands (ev): -28.6888 -28.6888 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3775 -12.3775 -12.3775 -12.3775 -12.3619 -12.3619 -12.3619 -12.3619 -12.1231 -12.1231 -12.1231 -12.1231 -12.1124 -12.1124 -12.1124 -12.1124 -12.0991 -12.0991 -12.0991 -12.0991 -12.0788 -12.0788 -12.0788 -12.0788 -5.0912 -5.0912 -5.0912 -5.0912 -4.3696 -4.3696 -4.3696 -4.3696 -2.0047 -2.0047 -2.0047 -2.0047 -1.5077 -1.5077 -1.5077 -1.5077 -1.3170 -1.3170 -1.3170 -1.3170 -1.1896 -1.1896 -1.1896 -1.1896 -1.1827 -1.1827 -1.1827 -1.1827 -0.8704 -0.8704 -0.8704 -0.8704 4.6175 4.6175 4.6175 4.6175 5.2110 5.2110 5.2110 5.2110 5.4153 5.4153 5.4153 5.4153 k = 0.0000 0.3966 0.0553 ( 13546 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3773 -12.3773 -12.3773 -12.3773 -12.3620 -12.3620 -12.3620 -12.3620 -12.1229 -12.1229 -12.1228 -12.1228 -12.1123 -12.1123 -12.1123 -12.1123 -12.0992 -12.0992 -12.0992 -12.0992 -12.0791 -12.0791 -12.0790 -12.0790 -5.0884 -5.0884 -5.0884 -5.0884 -4.3749 -4.3749 -4.3749 -4.3749 -1.9984 -1.9984 -1.9984 -1.9984 -1.5054 -1.5054 -1.5054 -1.5054 -1.3169 -1.3169 -1.3169 -1.3169 -1.1898 -1.1898 -1.1898 -1.1898 -1.1838 -1.1838 -1.1838 -1.1838 -0.8752 -0.8752 -0.8752 -0.8752 4.6252 4.6252 4.6252 4.6252 5.2142 5.2142 5.2142 5.2142 5.3909 5.3909 5.3910 5.3910 k = 0.0000 0.3966 0.0738 ( 13540 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6866 -28.6866 -28.6866 -28.6866 -12.3772 -12.3772 -12.3771 -12.3771 -12.3622 -12.3622 -12.3622 -12.3622 -12.1225 -12.1225 -12.1225 -12.1225 -12.1122 -12.1122 -12.1122 -12.1122 -12.0994 -12.0994 -12.0994 -12.0994 -12.0794 -12.0794 -12.0794 -12.0794 -5.0846 -5.0846 -5.0846 -5.0846 -4.3821 -4.3821 -4.3821 -4.3821 -1.9897 -1.9897 -1.9897 -1.9897 -1.5021 -1.5021 -1.5021 -1.5021 -1.3167 -1.3167 -1.3167 -1.3167 -1.1902 -1.1902 -1.1902 -1.1902 -1.1851 -1.1851 -1.1851 -1.1851 -0.8819 -0.8819 -0.8819 -0.8819 4.6358 4.6358 4.6358 4.6358 5.2185 5.2185 5.2185 5.2185 5.3592 5.3592 5.3592 5.3592 k = 0.0000 0.3966 0.0922 ( 13556 PWs) bands (ev): -28.6887 -28.6887 -28.6887 -28.6887 -28.6867 -28.6867 -28.6866 -28.6866 -12.3769 -12.3769 -12.3769 -12.3769 -12.3624 -12.3624 -12.3623 -12.3623 -12.1222 -12.1222 -12.1222 -12.1222 -12.1121 -12.1121 -12.1121 -12.1121 -12.0996 -12.0996 -12.0996 -12.0996 -12.0798 -12.0798 -12.0798 -12.0798 -5.0797 -5.0797 -5.0797 -5.0797 -4.3910 -4.3910 -4.3910 -4.3910 -1.9791 -1.9791 -1.9790 -1.9790 -1.4981 -1.4981 -1.4981 -1.4981 -1.3166 -1.3166 -1.3166 -1.3166 -1.1908 -1.1908 -1.1908 -1.1908 -1.1865 -1.1865 -1.1865 -1.1865 -0.8904 -0.8904 -0.8904 -0.8904 4.6492 4.6492 4.6492 4.6492 5.2240 5.2240 5.2240 5.2240 5.3220 5.3220 5.3221 5.3221 k = 0.0000 0.3966 0.1107 ( 13570 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6867 -28.6867 -28.6867 -28.6867 -12.3766 -12.3766 -12.3766 -12.3766 -12.3626 -12.3626 -12.3626 -12.3626 -12.1217 -12.1217 -12.1217 -12.1217 -12.1120 -12.1120 -12.1120 -12.1120 -12.0998 -12.0998 -12.0998 -12.0998 -12.0803 -12.0803 -12.0803 -12.0803 -5.0740 -5.0740 -5.0739 -5.0739 -4.4014 -4.4014 -4.4014 -4.4014 -1.9666 -1.9666 -1.9666 -1.9666 -1.4933 -1.4933 -1.4933 -1.4933 -1.3164 -1.3164 -1.3164 -1.3164 -1.1917 -1.1917 -1.1917 -1.1917 -1.1877 -1.1877 -1.1877 -1.1877 -0.9006 -0.9006 -0.9006 -0.9006 4.6650 4.6650 4.6650 4.6650 5.2304 5.2304 5.2304 5.2304 5.2815 5.2815 5.2816 5.2816 k = 0.0000 0.3966 0.1291 ( 13572 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6867 -28.6867 -28.6867 -28.6867 -12.3763 -12.3763 -12.3763 -12.3763 -12.3628 -12.3628 -12.3628 -12.3628 -12.1212 -12.1212 -12.1212 -12.1212 -12.1118 -12.1118 -12.1118 -12.1118 -12.1000 -12.1000 -12.1000 -12.1000 -12.0809 -12.0809 -12.0809 -12.0809 -5.0674 -5.0674 -5.0674 -5.0674 -4.4131 -4.4131 -4.4131 -4.4131 -1.9527 -1.9527 -1.9527 -1.9527 -1.4880 -1.4880 -1.4880 -1.4880 -1.3162 -1.3162 -1.3162 -1.3162 -1.1928 -1.1928 -1.1928 -1.1928 -1.1885 -1.1885 -1.1885 -1.1885 -0.9124 -0.9124 -0.9124 -0.9124 4.6831 4.6831 4.6831 4.6831 5.2372 5.2372 5.2372 5.2372 5.2401 5.2401 5.2401 5.2401 k = 0.0000 0.3966 0.1476 ( 13580 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6868 -28.6868 -28.6868 -28.6868 -12.3759 -12.3759 -12.3759 -12.3759 -12.3631 -12.3631 -12.3631 -12.3631 -12.1206 -12.1206 -12.1206 -12.1206 -12.1117 -12.1117 -12.1117 -12.1117 -12.1003 -12.1003 -12.1003 -12.1003 -12.0815 -12.0815 -12.0815 -12.0815 -5.0602 -5.0602 -5.0602 -5.0602 -4.4257 -4.4257 -4.4257 -4.4257 -1.9378 -1.9378 -1.9378 -1.9378 -1.4823 -1.4823 -1.4823 -1.4823 -1.3160 -1.3160 -1.3160 -1.3160 -1.1938 -1.1938 -1.1938 -1.1938 -1.1890 -1.1890 -1.1890 -1.1890 -0.9257 -0.9257 -0.9257 -0.9257 4.7030 4.7030 4.7030 4.7030 5.1985 5.1985 5.1985 5.1985 5.2454 5.2454 5.2454 5.2454 k = 0.0000 0.3966 0.1660 ( 13568 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3755 -12.3755 -12.3755 -12.3755 -12.3634 -12.3634 -12.3634 -12.3634 -12.1199 -12.1199 -12.1199 -12.1199 -12.1116 -12.1116 -12.1115 -12.1115 -12.1006 -12.1006 -12.1006 -12.1006 -12.0821 -12.0821 -12.0821 -12.0821 -5.0525 -5.0525 -5.0525 -5.0525 -4.4389 -4.4389 -4.4389 -4.4389 -1.9223 -1.9223 -1.9223 -1.9223 -1.4763 -1.4763 -1.4763 -1.4763 -1.3158 -1.3158 -1.3158 -1.3158 -1.1944 -1.1944 -1.1944 -1.1944 -1.1894 -1.1894 -1.1894 -1.1894 -0.9404 -0.9404 -0.9404 -0.9404 4.7241 4.7241 4.7241 4.7241 5.1596 5.1596 5.1596 5.1596 5.2537 5.2537 5.2537 5.2537 k = 0.0000 0.3966 0.1845 ( 13566 PWs) bands (ev): -28.6885 -28.6885 -28.6884 -28.6884 -28.6869 -28.6869 -28.6869 -28.6869 -12.3751 -12.3751 -12.3751 -12.3751 -12.3637 -12.3637 -12.3637 -12.3637 -12.1192 -12.1192 -12.1192 -12.1192 -12.1114 -12.1114 -12.1114 -12.1114 -12.1009 -12.1009 -12.1009 -12.1009 -12.0828 -12.0828 -12.0828 -12.0828 -5.0445 -5.0445 -5.0445 -5.0445 -4.4524 -4.4524 -4.4524 -4.4524 -1.9066 -1.9066 -1.9066 -1.9066 -1.4703 -1.4703 -1.4703 -1.4703 -1.3156 -1.3156 -1.3156 -1.3156 -1.1942 -1.1942 -1.1942 -1.1942 -1.1895 -1.1895 -1.1895 -1.1895 -0.9562 -0.9562 -0.9562 -0.9562 4.7456 4.7456 4.7456 4.7456 5.1245 5.1245 5.1245 5.1245 5.2622 5.2622 5.2622 5.2622 k = 0.0000 0.3966 0.2029 ( 13582 PWs) bands (ev): -28.6884 -28.6884 -28.6884 -28.6884 -28.6869 -28.6869 -28.6869 -28.6869 -12.3746 -12.3746 -12.3746 -12.3746 -12.3641 -12.3641 -12.3641 -12.3641 -12.1184 -12.1184 -12.1184 -12.1184 -12.1114 -12.1114 -12.1114 -12.1114 -12.1012 -12.1012 -12.1012 -12.1012 -12.0835 -12.0835 -12.0834 -12.0834 -5.0364 -5.0364 -5.0364 -5.0364 -4.4657 -4.4657 -4.4657 -4.4657 -1.8912 -1.8912 -1.8912 -1.8912 -1.4646 -1.4646 -1.4646 -1.4646 -1.3154 -1.3154 -1.3154 -1.3154 -1.1932 -1.1932 -1.1932 -1.1932 -1.1894 -1.1894 -1.1894 -1.1894 -0.9730 -0.9730 -0.9730 -0.9730 4.7666 4.7666 4.7666 4.7666 5.0947 5.0947 5.0947 5.0947 5.2706 5.2706 5.2706 5.2706 k = 0.0000 0.3966 0.2214 ( 13590 PWs) bands (ev): -28.6884 -28.6884 -28.6883 -28.6883 -28.6870 -28.6870 -28.6870 -28.6870 -12.3742 -12.3742 -12.3742 -12.3742 -12.3644 -12.3644 -12.3644 -12.3644 -12.1177 -12.1177 -12.1177 -12.1177 -12.1114 -12.1114 -12.1114 -12.1114 -12.1014 -12.1014 -12.1014 -12.1014 -12.0841 -12.0841 -12.0841 -12.0841 -5.0285 -5.0285 -5.0285 -5.0285 -4.4785 -4.4785 -4.4785 -4.4785 -1.8766 -1.8766 -1.8766 -1.8766 -1.4593 -1.4593 -1.4593 -1.4593 -1.3152 -1.3152 -1.3152 -1.3152 -1.1919 -1.1919 -1.1919 -1.1919 -1.1880 -1.1880 -1.1880 -1.1880 -0.9903 -0.9903 -0.9903 -0.9903 4.7858 4.7858 4.7858 4.7858 5.0716 5.0716 5.0717 5.0717 5.2787 5.2787 5.2787 5.2787 k = 0.0000 0.3966 0.2398 ( 13602 PWs) bands (ev): -28.6883 -28.6883 -28.6883 -28.6883 -28.6871 -28.6871 -28.6870 -28.6870 -12.3738 -12.3738 -12.3738 -12.3738 -12.3648 -12.3648 -12.3648 -12.3648 -12.1169 -12.1169 -12.1169 -12.1169 -12.1114 -12.1114 -12.1114 -12.1114 -12.1017 -12.1017 -12.1017 -12.1017 -12.0847 -12.0847 -12.0847 -12.0847 -5.0211 -5.0211 -5.0211 -5.0211 -4.4903 -4.4903 -4.4903 -4.4903 -1.8633 -1.8633 -1.8633 -1.8633 -1.4546 -1.4546 -1.4546 -1.4546 -1.3150 -1.3150 -1.3150 -1.3150 -1.1915 -1.1915 -1.1915 -1.1915 -1.1841 -1.1841 -1.1841 -1.1841 -1.0079 -1.0079 -1.0079 -1.0079 4.8016 4.8016 4.8016 4.8016 5.0567 5.0567 5.0567 5.0567 5.2862 5.2862 5.2862 5.2862 k = 0.0000 0.3966 0.2582 ( 13600 PWs) bands (ev): -28.6883 -28.6883 -28.6882 -28.6882 -28.6871 -28.6871 -28.6871 -28.6871 -12.3734 -12.3734 -12.3734 -12.3734 -12.3651 -12.3651 -12.3651 -12.3651 -12.1161 -12.1161 -12.1161 -12.1161 -12.1116 -12.1116 -12.1115 -12.1115 -12.1019 -12.1019 -12.1019 -12.1019 -12.0852 -12.0852 -12.0852 -12.0852 -5.0144 -5.0144 -5.0144 -5.0144 -4.5007 -4.5007 -4.5007 -4.5007 -1.8517 -1.8517 -1.8517 -1.8517 -1.4508 -1.4508 -1.4508 -1.4508 -1.3149 -1.3149 -1.3149 -1.3149 -1.1915 -1.1915 -1.1915 -1.1915 -1.1783 -1.1783 -1.1783 -1.1783 -1.0253 -1.0253 -1.0253 -1.0253 4.8130 4.8130 4.8130 4.8130 5.0507 5.0507 5.0507 5.0507 5.2638 5.2638 5.2638 5.2638 k = 0.0000 0.3966 0.2767 ( 13606 PWs) bands (ev): -28.6882 -28.6882 -28.6882 -28.6882 -28.6872 -28.6872 -28.6871 -28.6871 -12.3730 -12.3730 -12.3730 -12.3730 -12.3654 -12.3654 -12.3654 -12.3654 -12.1154 -12.1154 -12.1153 -12.1153 -12.1118 -12.1118 -12.1118 -12.1118 -12.1021 -12.1021 -12.1021 -12.1021 -12.0857 -12.0857 -12.0856 -12.0856 -5.0088 -5.0088 -5.0088 -5.0088 -4.5093 -4.5093 -4.5093 -4.5093 -1.8421 -1.8421 -1.8421 -1.8421 -1.4478 -1.4478 -1.4478 -1.4478 -1.3147 -1.3147 -1.3147 -1.3147 -1.1915 -1.1915 -1.1915 -1.1915 -1.1711 -1.1711 -1.1711 -1.1711 -1.0416 -1.0416 -1.0416 -1.0416 4.8198 4.8198 4.8198 4.8198 5.0528 5.0528 5.0528 5.0528 5.2384 5.2384 5.2385 5.2385 k = 0.0000 0.3966 0.2951 ( 13602 PWs) bands (ev): -28.6882 -28.6882 -28.6882 -28.6882 -28.6872 -28.6872 -28.6872 -28.6872 -12.3728 -12.3728 -12.3727 -12.3727 -12.3656 -12.3656 -12.3656 -12.3656 -12.1146 -12.1146 -12.1146 -12.1146 -12.1121 -12.1121 -12.1121 -12.1121 -12.1022 -12.1022 -12.1022 -12.1022 -12.0860 -12.0860 -12.0860 -12.0860 -5.0046 -5.0046 -5.0046 -5.0046 -4.5158 -4.5158 -4.5157 -4.5157 -1.8351 -1.8351 -1.8350 -1.8350 -1.4457 -1.4457 -1.4457 -1.4457 -1.3146 -1.3146 -1.3146 -1.3146 -1.1916 -1.1916 -1.1916 -1.1916 -1.1636 -1.1636 -1.1636 -1.1636 -1.0558 -1.0558 -1.0558 -1.0558 4.8228 4.8228 4.8229 4.8229 5.0604 5.0604 5.0604 5.0604 5.2163 5.2163 5.2163 5.2163 k = 0.0000 0.3966 0.3136 ( 13618 PWs) bands (ev): -28.6882 -28.6882 -28.6881 -28.6881 -28.6872 -28.6872 -28.6872 -28.6872 -12.3726 -12.3726 -12.3726 -12.3726 -12.3658 -12.3658 -12.3658 -12.3658 -12.1141 -12.1141 -12.1140 -12.1140 -12.1125 -12.1125 -12.1124 -12.1124 -12.1023 -12.1023 -12.1023 -12.1023 -12.0862 -12.0862 -12.0862 -12.0862 -5.0019 -5.0019 -5.0019 -5.0019 -4.5198 -4.5198 -4.5197 -4.5197 -1.8307 -1.8307 -1.8307 -1.8307 -1.4445 -1.4445 -1.4445 -1.4445 -1.3146 -1.3146 -1.3146 -1.3146 -1.1917 -1.1917 -1.1917 -1.1917 -1.1575 -1.1575 -1.1575 -1.1575 -1.0661 -1.0661 -1.0661 -1.0661 4.8239 4.8239 4.8239 4.8239 5.0690 5.0690 5.0690 5.0690 5.1999 5.1999 5.2000 5.2000 k = 0.0000 0.3966 0.3320 ( 13604 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6872 -28.6872 -28.6872 -28.6872 -12.3725 -12.3725 -12.3725 -12.3725 -12.3658 -12.3658 -12.3658 -12.3658 -12.1138 -12.1138 -12.1137 -12.1137 -12.1127 -12.1127 -12.1127 -12.1127 -12.1023 -12.1023 -12.1023 -12.1023 -12.0863 -12.0863 -12.0862 -12.0862 -5.0010 -5.0010 -5.0010 -5.0010 -4.5211 -4.5211 -4.5211 -4.5211 -1.8292 -1.8292 -1.8292 -1.8292 -1.4441 -1.4441 -1.4441 -1.4441 -1.3146 -1.3146 -1.3146 -1.3146 -1.1917 -1.1917 -1.1917 -1.1917 -1.1550 -1.1550 -1.1550 -1.1550 -1.0700 -1.0700 -1.0700 -1.0700 4.8240 4.8240 4.8240 4.8240 5.0729 5.0729 5.0729 5.0729 5.1936 5.1936 5.1937 5.1937 k = 0.5000-0.0000 0.3320 ( 13588 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3708 -12.3708 -12.3708 -12.3708 -12.3703 -12.3703 -12.3703 -12.3703 -12.1181 -12.1181 -12.1181 -12.1181 -12.1134 -12.1134 -12.1134 -12.1134 -12.0965 -12.0965 -12.0965 -12.0965 -12.0923 -12.0923 -12.0923 -12.0923 -4.6977 -4.6977 -4.6977 -4.6977 -4.6973 -4.6973 -4.6973 -4.6973 -1.7758 -1.7758 -1.7758 -1.7758 -1.7746 -1.7746 -1.7746 -1.7746 -1.4233 -1.4233 -1.4233 -1.4233 -1.4210 -1.4210 -1.4210 -1.4210 -1.0185 -1.0185 -1.0185 -1.0185 -1.0180 -1.0180 -1.0180 -1.0180 5.0677 5.0677 5.0677 5.0677 5.0713 5.0713 5.0713 5.0713 5.9367 5.9367 5.9368 5.9368 k = 0.5000-0.0000 0.3136 ( 13592 PWs) bands (ev): -28.6877 -28.6877 -28.6877 -28.6877 -28.6875 -28.6875 -28.6875 -28.6875 -12.3711 -12.3711 -12.3711 -12.3711 -12.3700 -12.3700 -12.3700 -12.3700 -12.1182 -12.1182 -12.1182 -12.1182 -12.1133 -12.1133 -12.1133 -12.1133 -12.0968 -12.0968 -12.0967 -12.0967 -12.0920 -12.0920 -12.0920 -12.0920 -4.7134 -4.7134 -4.7134 -4.7134 -4.6813 -4.6813 -4.6813 -4.6813 -1.7823 -1.7823 -1.7823 -1.7823 -1.7698 -1.7698 -1.7698 -1.7698 -1.4300 -1.4300 -1.4300 -1.4300 -1.4128 -1.4128 -1.4128 -1.4128 -1.0336 -1.0336 -1.0336 -1.0336 -1.0028 -1.0028 -1.0028 -1.0028 5.0403 5.0403 5.0403 5.0403 5.1022 5.1022 5.1022 5.1022 5.9261 5.9261 5.9261 5.9262 k = 0.5000-0.0000 0.2951 ( 13580 PWs) bands (ev): -28.6878 -28.6878 -28.6878 -28.6878 -28.6874 -28.6874 -28.6874 -28.6874 -12.3716 -12.3716 -12.3716 -12.3716 -12.3695 -12.3695 -12.3695 -12.3695 -12.1183 -12.1183 -12.1183 -12.1183 -12.1133 -12.1133 -12.1133 -12.1133 -12.0974 -12.0974 -12.0974 -12.0974 -12.0912 -12.0912 -12.0912 -12.0912 -4.7290 -4.7290 -4.7290 -4.7290 -4.6649 -4.6649 -4.6649 -4.6649 -1.7910 -1.7910 -1.7910 -1.7910 -1.7662 -1.7662 -1.7662 -1.7662 -1.4365 -1.4365 -1.4365 -1.4365 -1.4021 -1.4021 -1.4021 -1.4021 -1.0486 -1.0486 -1.0486 -1.0486 -0.9876 -0.9876 -0.9876 -0.9876 5.0151 5.0151 5.0151 5.0151 5.1379 5.1379 5.1379 5.1379 5.9123 5.9123 5.9123 5.9123 k = 0.5000-0.0000 0.2767 ( 13592 PWs) bands (ev): -28.6879 -28.6879 -28.6879 -28.6879 -28.6873 -28.6873 -28.6873 -28.6873 -12.3721 -12.3721 -12.3721 -12.3721 -12.3691 -12.3691 -12.3691 -12.3691 -12.1186 -12.1186 -12.1186 -12.1186 -12.1132 -12.1132 -12.1132 -12.1132 -12.0982 -12.0982 -12.0982 -12.0982 -12.0902 -12.0902 -12.0902 -12.0902 -4.7442 -4.7442 -4.7442 -4.7442 -4.6486 -4.6486 -4.6486 -4.6486 -1.8011 -1.8011 -1.8011 -1.8011 -1.7642 -1.7642 -1.7642 -1.7642 -1.4418 -1.4418 -1.4418 -1.4418 -1.3900 -1.3900 -1.3900 -1.3900 -1.0630 -1.0630 -1.0630 -1.0630 -0.9728 -0.9728 -0.9728 -0.9728 4.9940 4.9940 4.9940 4.9940 5.1760 5.1760 5.1760 5.1760 5.8956 5.8956 5.8956 5.8956 k = 0.5000-0.0000 0.2582 ( 13584 PWs) bands (ev): -28.6880 -28.6880 -28.6880 -28.6880 -28.6873 -28.6873 -28.6873 -28.6873 -12.3726 -12.3726 -12.3726 -12.3726 -12.3687 -12.3687 -12.3687 -12.3687 -12.1189 -12.1189 -12.1189 -12.1189 -12.1130 -12.1130 -12.1130 -12.1130 -12.0990 -12.0990 -12.0990 -12.0990 -12.0891 -12.0891 -12.0891 -12.0891 -4.7588 -4.7588 -4.7588 -4.7588 -4.6323 -4.6323 -4.6323 -4.6323 -1.8124 -1.8124 -1.8124 -1.8124 -1.7636 -1.7636 -1.7636 -1.7636 -1.4463 -1.4463 -1.4463 -1.4463 -1.3765 -1.3765 -1.3765 -1.3765 -1.0765 -1.0765 -1.0765 -1.0765 -0.9587 -0.9587 -0.9587 -0.9587 4.9772 4.9772 4.9772 4.9772 5.2158 5.2158 5.2158 5.2158 5.8762 5.8762 5.8762 5.8762 k = 0.5000-0.0000 0.2398 ( 13564 PWs) bands (ev): -28.6880 -28.6880 -28.6880 -28.6880 -28.6872 -28.6872 -28.6872 -28.6872 -12.3731 -12.3731 -12.3730 -12.3730 -12.3682 -12.3682 -12.3682 -12.3682 -12.1193 -12.1193 -12.1193 -12.1193 -12.1129 -12.1129 -12.1129 -12.1129 -12.0998 -12.0998 -12.0998 -12.0998 -12.0880 -12.0880 -12.0880 -12.0880 -4.7727 -4.7727 -4.7727 -4.7727 -4.6164 -4.6164 -4.6164 -4.6164 -1.8246 -1.8246 -1.8246 -1.8246 -1.7643 -1.7643 -1.7643 -1.7643 -1.4502 -1.4502 -1.4502 -1.4502 -1.3620 -1.3620 -1.3620 -1.3620 -1.0890 -1.0890 -1.0890 -1.0890 -0.9454 -0.9454 -0.9454 -0.9454 4.9649 4.9649 4.9649 4.9649 5.2562 5.2562 5.2562 5.2562 5.8543 5.8543 5.8543 5.8543 k = 0.5000-0.0000 0.2214 ( 13558 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6871 -28.6871 -28.6871 -28.6871 -12.3735 -12.3735 -12.3735 -12.3735 -12.3678 -12.3678 -12.3678 -12.3678 -12.1197 -12.1197 -12.1196 -12.1196 -12.1129 -12.1129 -12.1129 -12.1129 -12.1004 -12.1004 -12.1004 -12.1004 -12.0868 -12.0868 -12.0868 -12.0868 -4.7859 -4.7859 -4.7859 -4.7859 -4.6008 -4.6008 -4.6008 -4.6008 -1.8375 -1.8375 -1.8375 -1.8375 -1.7661 -1.7661 -1.7661 -1.7661 -1.4537 -1.4537 -1.4537 -1.4537 -1.3467 -1.3467 -1.3467 -1.3467 -1.1002 -1.1002 -1.1002 -1.1002 -0.9332 -0.9332 -0.9332 -0.9332 4.9570 4.9570 4.9570 4.9570 5.2957 5.2957 5.2957 5.2957 5.8300 5.8300 5.8300 5.8300 k = 0.5000-0.0000 0.2029 ( 13560 PWs) bands (ev): -28.6882 -28.6882 -28.6882 -28.6882 -28.6870 -28.6870 -28.6870 -28.6870 -12.3740 -12.3740 -12.3740 -12.3740 -12.3675 -12.3675 -12.3675 -12.3675 -12.1201 -12.1201 -12.1201 -12.1201 -12.1129 -12.1129 -12.1129 -12.1129 -12.1010 -12.1010 -12.1010 -12.1010 -12.0858 -12.0858 -12.0857 -12.0857 -4.7984 -4.7984 -4.7984 -4.7984 -4.5857 -4.5857 -4.5857 -4.5857 -1.8506 -1.8506 -1.8506 -1.8506 -1.7686 -1.7686 -1.7686 -1.7686 -1.4571 -1.4571 -1.4571 -1.4571 -1.3309 -1.3309 -1.3309 -1.3309 -1.1100 -1.1100 -1.1100 -1.1100 -0.9221 -0.9221 -0.9221 -0.9221 4.9535 4.9535 4.9535 4.9535 5.3325 5.3325 5.3325 5.3325 5.8037 5.8037 5.8037 5.8037 k = 0.5000-0.0000 0.1845 ( 13572 PWs) bands (ev): -28.6883 -28.6883 -28.6883 -28.6883 -28.6870 -28.6870 -28.6870 -28.6870 -12.3744 -12.3744 -12.3744 -12.3744 -12.3671 -12.3671 -12.3671 -12.3671 -12.1205 -12.1205 -12.1205 -12.1205 -12.1129 -12.1129 -12.1129 -12.1129 -12.1015 -12.1015 -12.1015 -12.1015 -12.0847 -12.0847 -12.0847 -12.0847 -4.8100 -4.8100 -4.8100 -4.8100 -4.5714 -4.5714 -4.5714 -4.5714 -1.8638 -1.8638 -1.8638 -1.8638 -1.7716 -1.7716 -1.7716 -1.7716 -1.4605 -1.4605 -1.4605 -1.4605 -1.3150 -1.3150 -1.3150 -1.3150 -1.1184 -1.1184 -1.1184 -1.1184 -0.9123 -0.9123 -0.9123 -0.9123 4.9541 4.9541 4.9541 4.9541 5.3647 5.3647 5.3647 5.3647 5.7756 5.7756 5.7756 5.7756 k = 0.5000-0.0000 0.1660 ( 13588 PWs) bands (ev): -28.6883 -28.6883 -28.6883 -28.6883 -28.6869 -28.6869 -28.6869 -28.6869 -12.3749 -12.3749 -12.3749 -12.3749 -12.3668 -12.3668 -12.3668 -12.3668 -12.1209 -12.1209 -12.1209 -12.1209 -12.1130 -12.1130 -12.1130 -12.1130 -12.1019 -12.1019 -12.1018 -12.1018 -12.0837 -12.0837 -12.0837 -12.0837 -4.8206 -4.8206 -4.8206 -4.8206 -4.5578 -4.5578 -4.5578 -4.5578 -1.8767 -1.8767 -1.8767 -1.8767 -1.7750 -1.7750 -1.7750 -1.7750 -1.4639 -1.4639 -1.4639 -1.4639 -1.2991 -1.2991 -1.2991 -1.2991 -1.1254 -1.1254 -1.1254 -1.1254 -0.9038 -0.9038 -0.9038 -0.9038 4.9588 4.9588 4.9588 4.9588 5.3900 5.3900 5.3900 5.3900 5.7460 5.7460 5.7460 5.7460 k = 0.5000-0.0000 0.1476 ( 13600 PWs) bands (ev): -28.6884 -28.6884 -28.6884 -28.6884 -28.6868 -28.6868 -28.6868 -28.6868 -12.3753 -12.3753 -12.3753 -12.3753 -12.3666 -12.3666 -12.3666 -12.3666 -12.1213 -12.1213 -12.1213 -12.1213 -12.1132 -12.1132 -12.1132 -12.1132 -12.1021 -12.1021 -12.1021 -12.1021 -12.0828 -12.0828 -12.0828 -12.0828 -4.8303 -4.8303 -4.8303 -4.8303 -4.5452 -4.5452 -4.5452 -4.5452 -1.8890 -1.8890 -1.8890 -1.8890 -1.7785 -1.7785 -1.7785 -1.7785 -1.4674 -1.4674 -1.4674 -1.4674 -1.2837 -1.2837 -1.2837 -1.2837 -1.1311 -1.1311 -1.1311 -1.1311 -0.8966 -0.8966 -0.8966 -0.8966 4.9670 4.9670 4.9670 4.9670 5.4073 5.4073 5.4073 5.4073 5.7155 5.7155 5.7155 5.7155 k = 0.5000-0.0000 0.1291 ( 13602 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6868 -28.6868 -28.6868 -28.6868 -12.3756 -12.3756 -12.3756 -12.3756 -12.3663 -12.3663 -12.3663 -12.3663 -12.1216 -12.1216 -12.1216 -12.1216 -12.1133 -12.1133 -12.1133 -12.1133 -12.1023 -12.1023 -12.1023 -12.1023 -12.0820 -12.0820 -12.0820 -12.0820 -4.8389 -4.8389 -4.8389 -4.8389 -4.5337 -4.5337 -4.5337 -4.5337 -1.9005 -1.9005 -1.9005 -1.9005 -1.7820 -1.7820 -1.7820 -1.7820 -1.4709 -1.4709 -1.4709 -1.4709 -1.2690 -1.2690 -1.2690 -1.2690 -1.1355 -1.1355 -1.1355 -1.1355 -0.8907 -0.8907 -0.8907 -0.8907 4.9783 4.9783 4.9783 4.9783 5.4166 5.4166 5.4166 5.4166 5.6845 5.6845 5.6845 5.6845 k = 0.5000-0.0000 0.1107 ( 13574 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6867 -28.6867 -28.6867 -28.6867 -12.3759 -12.3759 -12.3759 -12.3759 -12.3661 -12.3661 -12.3661 -12.3661 -12.1219 -12.1219 -12.1219 -12.1219 -12.1135 -12.1135 -12.1135 -12.1135 -12.1024 -12.1024 -12.1024 -12.1024 -12.0812 -12.0812 -12.0812 -12.0812 -4.8465 -4.8465 -4.8465 -4.8465 -4.5235 -4.5235 -4.5235 -4.5235 -1.9109 -1.9109 -1.9109 -1.9109 -1.7853 -1.7853 -1.7853 -1.7853 -1.4742 -1.4742 -1.4742 -1.4742 -1.2555 -1.2555 -1.2555 -1.2555 -1.1389 -1.1389 -1.1389 -1.1389 -0.8860 -0.8860 -0.8860 -0.8860 4.9920 4.9920 4.9920 4.9920 5.4195 5.4195 5.4195 5.4195 5.6538 5.6538 5.6538 5.6538 k = 0.5000-0.0000 0.0922 ( 13580 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6867 -28.6867 -28.6867 -28.6867 -12.3762 -12.3762 -12.3762 -12.3762 -12.3659 -12.3659 -12.3659 -12.3659 -12.1222 -12.1222 -12.1222 -12.1222 -12.1137 -12.1137 -12.1137 -12.1137 -12.1025 -12.1025 -12.1025 -12.1025 -12.0806 -12.0806 -12.0806 -12.0806 -4.8530 -4.8530 -4.8530 -4.8530 -4.5146 -4.5146 -4.5146 -4.5146 -1.9201 -1.9201 -1.9201 -1.9201 -1.7882 -1.7882 -1.7882 -1.7882 -1.4773 -1.4773 -1.4773 -1.4773 -1.2433 -1.2433 -1.2433 -1.2433 -1.1413 -1.1413 -1.1413 -1.1413 -0.8824 -0.8824 -0.8824 -0.8824 5.0072 5.0072 5.0072 5.0072 5.4181 5.4181 5.4181 5.4181 5.6242 5.6242 5.6242 5.6242 k = 0.5000-0.0000 0.0738 ( 13580 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6867 -28.6867 -28.6867 -28.6867 -12.3764 -12.3764 -12.3764 -12.3764 -12.3658 -12.3658 -12.3658 -12.3658 -12.1224 -12.1224 -12.1224 -12.1224 -12.1139 -12.1139 -12.1139 -12.1139 -12.1026 -12.1026 -12.1025 -12.1025 -12.0800 -12.0800 -12.0800 -12.0800 -4.8583 -4.8583 -4.8583 -4.8583 -4.5071 -4.5071 -4.5071 -4.5071 -1.9279 -1.9279 -1.9279 -1.9279 -1.7908 -1.7908 -1.7908 -1.7908 -1.4801 -1.4801 -1.4801 -1.4801 -1.2329 -1.2329 -1.2329 -1.2329 -1.1431 -1.1431 -1.1431 -1.1431 -0.8797 -0.8797 -0.8797 -0.8797 5.0229 5.0229 5.0229 5.0229 5.4144 5.4144 5.4144 5.4144 5.5968 5.5968 5.5968 5.5968 k = 0.5000-0.0000 0.0553 ( 13592 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3766 -12.3766 -12.3766 -12.3766 -12.3657 -12.3657 -12.3657 -12.3657 -12.1226 -12.1226 -12.1226 -12.1226 -12.1140 -12.1140 -12.1140 -12.1140 -12.1026 -12.1026 -12.1026 -12.1026 -12.0796 -12.0796 -12.0796 -12.0796 -4.8625 -4.8625 -4.8625 -4.8625 -4.5012 -4.5012 -4.5012 -4.5012 -1.9341 -1.9341 -1.9341 -1.9341 -1.7929 -1.7929 -1.7929 -1.7929 -1.4824 -1.4824 -1.4824 -1.4824 -1.2244 -1.2244 -1.2244 -1.2244 -1.1443 -1.1443 -1.1443 -1.1443 -0.8778 -0.8778 -0.8778 -0.8778 5.0376 5.0376 5.0376 5.0376 5.4100 5.4100 5.4100 5.4100 5.5730 5.5730 5.5730 5.5730 k = 0.5000-0.0000 0.0369 ( 13586 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3767 -12.3767 -12.3767 -12.3767 -12.3656 -12.3656 -12.3656 -12.3656 -12.1227 -12.1227 -12.1227 -12.1227 -12.1141 -12.1141 -12.1141 -12.1141 -12.1026 -12.1026 -12.1026 -12.1026 -12.0793 -12.0793 -12.0793 -12.0793 -4.8655 -4.8655 -4.8655 -4.8655 -4.4970 -4.4970 -4.4970 -4.4970 -1.9386 -1.9386 -1.9386 -1.9386 -1.7944 -1.7944 -1.7944 -1.7944 -1.4841 -1.4841 -1.4841 -1.4841 -1.2182 -1.2182 -1.2182 -1.2182 -1.1450 -1.1450 -1.1450 -1.1450 -0.8766 -0.8766 -0.8766 -0.8766 5.0497 5.0497 5.0497 5.0497 5.4062 5.4062 5.4062 5.4062 5.5543 5.5543 5.5543 5.5543 k = 0.5000-0.0000 0.0184 ( 13594 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3768 -12.3768 -12.3655 -12.3655 -12.3655 -12.3655 -12.1228 -12.1228 -12.1228 -12.1228 -12.1142 -12.1142 -12.1142 -12.1142 -12.1026 -12.1026 -12.1026 -12.1026 -12.0791 -12.0791 -12.0791 -12.0791 -4.8673 -4.8673 -4.8673 -4.8673 -4.4944 -4.4944 -4.4944 -4.4944 -1.9414 -1.9414 -1.9414 -1.9414 -1.7953 -1.7953 -1.7953 -1.7953 -1.4852 -1.4852 -1.4852 -1.4852 -1.2144 -1.2144 -1.2144 -1.2144 -1.1454 -1.1454 -1.1454 -1.1454 -0.8759 -0.8759 -0.8759 -0.8759 5.0579 5.0579 5.0579 5.0579 5.4036 5.4036 5.4036 5.4036 5.5423 5.5423 5.5423 5.5423 k = 0.5000-0.0000-0.0000 ( 13584 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3768 -12.3768 -12.3655 -12.3655 -12.3655 -12.3655 -12.1229 -12.1229 -12.1229 -12.1229 -12.1142 -12.1142 -12.1142 -12.1142 -12.1026 -12.1026 -12.1026 -12.1026 -12.0790 -12.0790 -12.0790 -12.0790 -4.8679 -4.8679 -4.8679 -4.8679 -4.4935 -4.4935 -4.4935 -4.4935 -1.9423 -1.9423 -1.9423 -1.9423 -1.7956 -1.7956 -1.7956 -1.7956 -1.4855 -1.4855 -1.4855 -1.4855 -1.2131 -1.2131 -1.2131 -1.2131 -1.1455 -1.1455 -1.1455 -1.1455 -0.8757 -0.8757 -0.8757 -0.8757 5.0607 5.0607 5.0607 5.0607 5.4027 5.4027 5.4027 5.4027 5.5381 5.5381 5.5381 5.5381 k = 0.5000 0.3966-0.0000 ( 13552 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3768 -12.3768 -12.3768 -12.3768 -12.3677 -12.3677 -12.3677 -12.3677 -12.1235 -12.1235 -12.1235 -12.1235 -12.1151 -12.1151 -12.1151 -12.1151 -12.1051 -12.1051 -12.1051 -12.1051 -12.0749 -12.0749 -12.0749 -12.0749 -4.7867 -4.7867 -4.7867 -4.7867 -4.4792 -4.4792 -4.4792 -4.4792 -2.2810 -2.2810 -2.2810 -2.2810 -1.6944 -1.6944 -1.6944 -1.6944 -1.6774 -1.6774 -1.6774 -1.6774 -1.3557 -1.3557 -1.3557 -1.3557 -0.9168 -0.9168 -0.9168 -0.9168 -0.5897 -0.5897 -0.5897 -0.5897 4.8194 4.8194 4.8194 4.8194 5.4314 5.4314 5.4314 5.4314 5.6806 5.6806 5.6806 5.6806 k = 0.5000 0.3966 0.0184 ( 13548 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3767 -12.3767 -12.3767 -12.3767 -12.3677 -12.3677 -12.3677 -12.3677 -12.1235 -12.1235 -12.1235 -12.1235 -12.1151 -12.1151 -12.1151 -12.1151 -12.1050 -12.1050 -12.1050 -12.1050 -12.0750 -12.0750 -12.0750 -12.0750 -4.7862 -4.7862 -4.7862 -4.7862 -4.4799 -4.4799 -4.4799 -4.4799 -2.2805 -2.2805 -2.2805 -2.2805 -1.6926 -1.6926 -1.6926 -1.6926 -1.6800 -1.6800 -1.6800 -1.6800 -1.3544 -1.3544 -1.3544 -1.3544 -0.9165 -0.9165 -0.9165 -0.9165 -0.5907 -0.5907 -0.5907 -0.5907 4.8183 4.8183 4.8183 4.8183 5.4326 5.4326 5.4326 5.4326 5.6712 5.6712 5.6712 5.6712 k = 0.5000 0.3966 0.0369 ( 13572 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3767 -12.3767 -12.3767 -12.3767 -12.3677 -12.3677 -12.3677 -12.3677 -12.1234 -12.1234 -12.1234 -12.1234 -12.1151 -12.1151 -12.1151 -12.1151 -12.1049 -12.1049 -12.1049 -12.1049 -12.0752 -12.0752 -12.0752 -12.0752 -4.7847 -4.7847 -4.7847 -4.7847 -4.4819 -4.4819 -4.4819 -4.4819 -2.2791 -2.2791 -2.2791 -2.2791 -1.6884 -1.6884 -1.6884 -1.6884 -1.6869 -1.6869 -1.6869 -1.6869 -1.3507 -1.3507 -1.3507 -1.3507 -0.9157 -0.9157 -0.9157 -0.9157 -0.5936 -0.5936 -0.5936 -0.5936 4.8150 4.8150 4.8150 4.8150 5.4363 5.4363 5.4363 5.4363 5.6457 5.6457 5.6457 5.6457 k = 0.5000 0.3966 0.0553 ( 13576 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6866 -28.6866 -28.6866 -28.6866 -12.3766 -12.3766 -12.3766 -12.3766 -12.3678 -12.3678 -12.3678 -12.3678 -12.1234 -12.1234 -12.1234 -12.1234 -12.1151 -12.1151 -12.1151 -12.1151 -12.1047 -12.1047 -12.1047 -12.1047 -12.0755 -12.0755 -12.0755 -12.0755 -4.7822 -4.7822 -4.7822 -4.7822 -4.4853 -4.4853 -4.4853 -4.4853 -2.2767 -2.2767 -2.2767 -2.2767 -1.7002 -1.7002 -1.7002 -1.7002 -1.6790 -1.6790 -1.6790 -1.6790 -1.3452 -1.3452 -1.3452 -1.3452 -0.9144 -0.9144 -0.9144 -0.9144 -0.5984 -0.5984 -0.5984 -0.5984 4.8100 4.8100 4.8100 4.8100 5.4425 5.4425 5.4425 5.4425 5.6094 5.6094 5.6094 5.6094 k = 0.5000 0.3966 0.0738 ( 13588 PWs) bands (ev): -28.6886 -28.6886 -28.6886 -28.6886 -28.6867 -28.6867 -28.6867 -28.6867 -12.3764 -12.3764 -12.3764 -12.3764 -12.3679 -12.3679 -12.3679 -12.3679 -12.1233 -12.1233 -12.1233 -12.1233 -12.1151 -12.1151 -12.1151 -12.1151 -12.1045 -12.1045 -12.1045 -12.1045 -12.0760 -12.0760 -12.0760 -12.0760 -4.7787 -4.7787 -4.7787 -4.7787 -4.4900 -4.4900 -4.4900 -4.4900 -2.2732 -2.2732 -2.2732 -2.2732 -1.7165 -1.7165 -1.7165 -1.7165 -1.6674 -1.6674 -1.6674 -1.6674 -1.3383 -1.3383 -1.3383 -1.3383 -0.9125 -0.9125 -0.9125 -0.9125 -0.6051 -0.6051 -0.6051 -0.6051 4.8040 4.8040 4.8040 4.8040 5.4511 5.4511 5.4511 5.4511 5.5664 5.5664 5.5664 5.5664 k = 0.5000 0.3966 0.0922 ( 13592 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6867 -28.6867 -28.6867 -28.6867 -12.3762 -12.3762 -12.3762 -12.3762 -12.3680 -12.3680 -12.3680 -12.3680 -12.1232 -12.1232 -12.1232 -12.1232 -12.1151 -12.1151 -12.1151 -12.1151 -12.1041 -12.1041 -12.1041 -12.1041 -12.0765 -12.0765 -12.0765 -12.0765 -4.7742 -4.7742 -4.7742 -4.7742 -4.4959 -4.4959 -4.4959 -4.4959 -2.2685 -2.2685 -2.2685 -2.2685 -1.7361 -1.7361 -1.7361 -1.7361 -1.6530 -1.6530 -1.6530 -1.6530 -1.3309 -1.3309 -1.3309 -1.3309 -0.9100 -0.9100 -0.9100 -0.9100 -0.6135 -0.6135 -0.6135 -0.6135 4.7975 4.7975 4.7975 4.7975 5.4622 5.4622 5.4622 5.4622 5.5194 5.5194 5.5194 5.5194 k = 0.5000 0.3966 0.1107 ( 13584 PWs) bands (ev): -28.6885 -28.6885 -28.6885 -28.6885 -28.6867 -28.6867 -28.6867 -28.6867 -12.3760 -12.3760 -12.3760 -12.3760 -12.3681 -12.3681 -12.3681 -12.3681 -12.1230 -12.1230 -12.1230 -12.1230 -12.1151 -12.1151 -12.1151 -12.1151 -12.1037 -12.1037 -12.1037 -12.1037 -12.0772 -12.0772 -12.0772 -12.0772 -4.7688 -4.7688 -4.7688 -4.7688 -4.5030 -4.5030 -4.5030 -4.5030 -2.2626 -2.2626 -2.2626 -2.2626 -1.7583 -1.7583 -1.7583 -1.7583 -1.6359 -1.6359 -1.6359 -1.6359 -1.3235 -1.3235 -1.3235 -1.3235 -0.9069 -0.9069 -0.9069 -0.9069 -0.6237 -0.6237 -0.6237 -0.6237 4.7913 4.7913 4.7913 4.7913 5.4700 5.4700 5.4700 5.4700 5.4758 5.4758 5.4758 5.4758 k = 0.5000 0.3966 0.1291 ( 13584 PWs) bands (ev): -28.6884 -28.6884 -28.6884 -28.6884 -28.6868 -28.6868 -28.6868 -28.6868 -12.3758 -12.3758 -12.3758 -12.3758 -12.3683 -12.3683 -12.3683 -12.3683 -12.1229 -12.1229 -12.1229 -12.1229 -12.1151 -12.1151 -12.1151 -12.1151 -12.1032 -12.1032 -12.1032 -12.1032 -12.0780 -12.0780 -12.0780 -12.0780 -4.7624 -4.7624 -4.7624 -4.7624 -4.5112 -4.5112 -4.5112 -4.5112 -2.2554 -2.2554 -2.2554 -2.2554 -1.7824 -1.7824 -1.7824 -1.7824 -1.6165 -1.6165 -1.6165 -1.6165 -1.3167 -1.3167 -1.3167 -1.3167 -0.9032 -0.9032 -0.9032 -0.9032 -0.6354 -0.6354 -0.6354 -0.6354 4.7863 4.7863 4.7863 4.7863 5.4194 5.4194 5.4194 5.4194 5.4916 5.4916 5.4916 5.4916 k = 0.5000 0.3966 0.1476 ( 13596 PWs) bands (ev): -28.6884 -28.6884 -28.6884 -28.6884 -28.6868 -28.6868 -28.6868 -28.6868 -12.3755 -12.3755 -12.3755 -12.3755 -12.3685 -12.3685 -12.3685 -12.3685 -12.1227 -12.1227 -12.1227 -12.1227 -12.1152 -12.1152 -12.1152 -12.1152 -12.1025 -12.1025 -12.1025 -12.1025 -12.0789 -12.0789 -12.0789 -12.0789 -4.7552 -4.7552 -4.7552 -4.7552 -4.5204 -4.5204 -4.5204 -4.5204 -2.2468 -2.2468 -2.2468 -2.2468 -1.8080 -1.8080 -1.8080 -1.8080 -1.5952 -1.5952 -1.5952 -1.5952 -1.3109 -1.3109 -1.3109 -1.3109 -0.8988 -0.8988 -0.8988 -0.8988 -0.6485 -0.6485 -0.6485 -0.6485 4.7831 4.7831 4.7831 4.7831 5.3683 5.3683 5.3683 5.3683 5.5098 5.5098 5.5098 5.5098 k = 0.5000 0.3966 0.1660 ( 13600 PWs) bands (ev): -28.6883 -28.6883 -28.6883 -28.6883 -28.6869 -28.6869 -28.6869 -28.6869 -12.3751 -12.3751 -12.3751 -12.3751 -12.3687 -12.3687 -12.3687 -12.3687 -12.1225 -12.1225 -12.1225 -12.1225 -12.1153 -12.1153 -12.1153 -12.1153 -12.1018 -12.1018 -12.1018 -12.1018 -12.0799 -12.0799 -12.0799 -12.0799 -4.7470 -4.7470 -4.7470 -4.7470 -4.5305 -4.5305 -4.5305 -4.5305 -2.2367 -2.2367 -2.2367 -2.2367 -1.8348 -1.8348 -1.8348 -1.8348 -1.5723 -1.5723 -1.5723 -1.5723 -1.3065 -1.3065 -1.3065 -1.3065 -0.8938 -0.8938 -0.8938 -0.8938 -0.6628 -0.6628 -0.6628 -0.6628 4.7821 4.7821 4.7821 4.7821 5.3172 5.3172 5.3172 5.3172 5.5302 5.5302 5.5302 5.5302 k = 0.5000 0.3966 0.1845 ( 13604 PWs) bands (ev): -28.6883 -28.6883 -28.6883 -28.6883 -28.6870 -28.6870 -28.6870 -28.6870 -12.3748 -12.3748 -12.3748 -12.3748 -12.3689 -12.3689 -12.3689 -12.3689 -12.1222 -12.1222 -12.1222 -12.1222 -12.1154 -12.1154 -12.1154 -12.1154 -12.1010 -12.1010 -12.1010 -12.1010 -12.0809 -12.0809 -12.0809 -12.0809 -4.7381 -4.7381 -4.7381 -4.7381 -4.5414 -4.5414 -4.5414 -4.5414 -2.2250 -2.2250 -2.2250 -2.2250 -1.8622 -1.8622 -1.8622 -1.8622 -1.5483 -1.5483 -1.5483 -1.5483 -1.3038 -1.3038 -1.3038 -1.3038 -0.8880 -0.8880 -0.8880 -0.8880 -0.6782 -0.6782 -0.6782 -0.6782 4.7840 4.7840 4.7840 4.7840 5.2667 5.2667 5.2667 5.2667 5.5527 5.5527 5.5527 5.5527 k = 0.5000 0.3966 0.2029 ( 13604 PWs) bands (ev): -28.6882 -28.6882 -28.6882 -28.6882 -28.6870 -28.6870 -28.6870 -28.6870 -12.3744 -12.3744 -12.3744 -12.3744 -12.3692 -12.3692 -12.3692 -12.3692 -12.1220 -12.1220 -12.1220 -12.1220 -12.1156 -12.1156 -12.1156 -12.1156 -12.1001 -12.1001 -12.1001 -12.1001 -12.0820 -12.0820 -12.0820 -12.0820 -4.7284 -4.7284 -4.7284 -4.7284 -4.5530 -4.5530 -4.5530 -4.5530 -2.2118 -2.2118 -2.2118 -2.2118 -1.8901 -1.8901 -1.8901 -1.8901 -1.5236 -1.5236 -1.5236 -1.5236 -1.3031 -1.3031 -1.3031 -1.3031 -0.8814 -0.8814 -0.8814 -0.8814 -0.6943 -0.6943 -0.6943 -0.6943 4.7890 4.7890 4.7890 4.7890 5.2171 5.2171 5.2171 5.2171 5.5772 5.5772 5.5772 5.5772 k = 0.5000 0.3966 0.2214 ( 13628 PWs) bands (ev): -28.6881 -28.6881 -28.6881 -28.6881 -28.6871 -28.6871 -28.6871 -28.6871 -12.3741 -12.3741 -12.3741 -12.3741 -12.3695 -12.3695 -12.3695 -12.3695 -12.1218 -12.1218 -12.1218 -12.1218 -12.1158 -12.1158 -12.1158 -12.1158 -12.0991 -12.0991 -12.0991 -12.0991 -12.0832 -12.0832 -12.0832 -12.0832 -4.7180 -4.7180 -4.7180 -4.7180 -4.5652 -4.5652 -4.5652 -4.5652 -2.1970 -2.1970 -2.1970 -2.1970 -1.9181 -1.9181 -1.9181 -1.9181 -1.4985 -1.4985 -1.4985 -1.4985 -1.3045 -1.3045 -1.3045 -1.3045 -0.8740 -0.8740 -0.8740 -0.8740 -0.7110 -0.7110 -0.7110 -0.7110 4.7975 4.7975 4.7975 4.7975 5.1689 5.1689 5.1689 5.1689 5.6036 5.6036 5.6036 5.6036 k = 0.5000 0.3966 0.2398 ( 13612 PWs) bands (ev): -28.6880 -28.6880 -28.6880 -28.6880 -28.6872 -28.6872 -28.6872 -28.6872 -12.3737 -12.3737 -12.3737 -12.3737 -12.3698 -12.3698 -12.3698 -12.3698 -12.1215 -12.1215 -12.1215 -12.1215 -12.1159 -12.1159 -12.1159 -12.1159 -12.0980 -12.0980 -12.0980 -12.0980 -12.0844 -12.0844 -12.0844 -12.0844 -4.7070 -4.7070 -4.7070 -4.7070 -4.5779 -4.5779 -4.5779 -4.5779 -2.1806 -2.1806 -2.1806 -2.1806 -1.9460 -1.9460 -1.9460 -1.9460 -1.4736 -1.4736 -1.4736 -1.4736 -1.3083 -1.3083 -1.3083 -1.3083 -0.8656 -0.8656 -0.8656 -0.8656 -0.7280 -0.7280 -0.7280 -0.7280 4.8096 4.8096 4.8096 4.8096 5.1223 5.1223 5.1223 5.1223 5.6317 5.6317 5.6317 5.6317 k = 0.5000 0.3966 0.2582 ( 13600 PWs) bands (ev): -28.6880 -28.6880 -28.6880 -28.6880 -28.6873 -28.6873 -28.6873 -28.6873 -12.3733 -12.3733 -12.3733 -12.3733 -12.3701 -12.3701 -12.3701 -12.3701 -12.1213 -12.1213 -12.1213 -12.1213 -12.1161 -12.1161 -12.1161 -12.1161 -12.0969 -12.0969 -12.0969 -12.0969 -12.0857 -12.0857 -12.0857 -12.0857 -4.6954 -4.6954 -4.6954 -4.6954 -4.5909 -4.5909 -4.5909 -4.5909 -2.1627 -2.1627 -2.1627 -2.1627 -1.9735 -1.9735 -1.9735 -1.9735 -1.4492 -1.4492 -1.4492 -1.4492 -1.3145 -1.3145 -1.3145 -1.3145 -0.8562 -0.8562 -0.8562 -0.8562 -0.7450 -0.7450 -0.7450 -0.7450 4.8255 4.8255 4.8255 4.8255 5.0778 5.0778 5.0778 5.0778 5.6613 5.6613 5.6613 5.6613 k = 0.5000 0.3966 0.2767 ( 13612 PWs) bands (ev): -28.6879 -28.6879 -28.6879 -28.6879 -28.6874 -28.6874 -28.6874 -28.6874 -12.3729 -12.3729 -12.3729 -12.3729 -12.3705 -12.3705 -12.3705 -12.3705 -12.1211 -12.1211 -12.1211 -12.1211 -12.1163 -12.1163 -12.1163 -12.1163 -12.0958 -12.0958 -12.0958 -12.0958 -12.0869 -12.0869 -12.0869 -12.0869 -4.6832 -4.6832 -4.6832 -4.6832 -4.6042 -4.6042 -4.6042 -4.6042 -2.1433 -2.1433 -2.1433 -2.1433 -2.0006 -2.0006 -2.0006 -2.0006 -1.4257 -1.4257 -1.4257 -1.4257 -1.3233 -1.3233 -1.3233 -1.3233 -0.8458 -0.8458 -0.8458 -0.8458 -0.7617 -0.7617 -0.7617 -0.7617 4.8450 4.8450 4.8450 4.8450 5.0356 5.0356 5.0356 5.0356 5.6922 5.6922 5.6922 5.6922 k = 0.5000 0.3966 0.2951 ( 13628 PWs) bands (ev): -28.6878 -28.6878 -28.6878 -28.6878 -28.6875 -28.6875 -28.6875 -28.6875 -12.3725 -12.3725 -12.3725 -12.3725 -12.3708 -12.3708 -12.3708 -12.3708 -12.1210 -12.1210 -12.1210 -12.1210 -12.1164 -12.1164 -12.1164 -12.1164 -12.0947 -12.0947 -12.0947 -12.0947 -12.0881 -12.0881 -12.0881 -12.0881 -4.6706 -4.6706 -4.6706 -4.6706 -4.6176 -4.6176 -4.6176 -4.6176 -2.1225 -2.1225 -2.1225 -2.1225 -2.0270 -2.0270 -2.0270 -2.0270 -1.4036 -1.4036 -1.4036 -1.4036 -1.3346 -1.3346 -1.3346 -1.3346 -0.8343 -0.8343 -0.8343 -0.8343 -0.7779 -0.7779 -0.7779 -0.7779 4.8683 4.8683 4.8683 4.8683 4.9960 4.9960 4.9960 4.9960 5.7241 5.7241 5.7241 5.7241 k = 0.5000 0.3966 0.3136 ( 13620 PWs) bands (ev): -28.6877 -28.6877 -28.6877 -28.6877 -28.6875 -28.6875 -28.6875 -28.6875 -12.3721 -12.3721 -12.3721 -12.3721 -12.3712 -12.3712 -12.3712 -12.3712 -12.1209 -12.1209 -12.1209 -12.1209 -12.1165 -12.1165 -12.1165 -12.1165 -12.0938 -12.0938 -12.0938 -12.0938 -12.0890 -12.0890 -12.0890 -12.0890 -4.6577 -4.6577 -4.6577 -4.6577 -4.6311 -4.6311 -4.6311 -4.6311 -2.1004 -2.1004 -2.1004 -2.1004 -2.0525 -2.0525 -2.0525 -2.0525 -1.3831 -1.3831 -1.3831 -1.3831 -1.3484 -1.3484 -1.3484 -1.3484 -0.8217 -0.8217 -0.8217 -0.8217 -0.7934 -0.7934 -0.7934 -0.7934 4.8952 4.8952 4.8952 4.8952 4.9592 4.9592 4.9592 4.9592 5.7568 5.7568 5.7568 5.7568 k = 0.5000 0.3966 0.3320 ( 13640 PWs) bands (ev): -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -28.6876 -12.3718 -12.3718 -12.3718 -12.3718 -12.3715 -12.3715 -12.3715 -12.3715 -12.1209 -12.1209 -12.1209 -12.1209 -12.1165 -12.1165 -12.1165 -12.1165 -12.0934 -12.0934 -12.0934 -12.0934 -12.0895 -12.0895 -12.0895 -12.0895 -4.6447 -4.6447 -4.6447 -4.6447 -4.6442 -4.6442 -4.6442 -4.6442 -2.0772 -2.0772 -2.0772 -2.0772 -2.0768 -2.0768 -2.0768 -2.0768 -1.3653 -1.3653 -1.3653 -1.3653 -1.3641 -1.3641 -1.3641 -1.3641 -0.8084 -0.8084 -0.8084 -0.8084 -0.8078 -0.8078 -0.8078 -0.8078 4.9253 4.9253 4.9253 4.9253 4.9258 4.9258 4.9258 4.9258 5.7890 5.7890 5.7890 5.7890 Writing output data file KAlH4.save init_run : 1.78s CPU 1.11s WALL ( 1 calls) electrons : 624.34s CPU 523.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.19s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 624.33s CPU 523.18s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.65s CPU 0.37s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.74s CPU 0.60s WALL ( 280 calls) cegterg : 501.60s CPU 453.98s WALL ( 556 calls) Called by sum_band: Called by *egterg: h_psi : 316.30s CPU 237.65s WALL ( 8756 calls) s_psi : 48.33s CPU 40.55s WALL ( 8756 calls) g_psi : 1.12s CPU 1.11s WALL ( 7920 calls) cdiaghg : 127.57s CPU 126.14s WALL ( 8200 calls) cegterg:over : 32.08s CPU 31.96s WALL ( 7920 calls) cegterg:upda : 34.34s CPU 34.10s WALL ( 7920 calls) cegterg:last : 17.67s CPU 17.74s WALL ( 1363 calls) cdiaghg:chol : 7.18s CPU 7.38s WALL ( 8200 calls) cdiaghg:inve : 5.12s CPU 5.22s WALL ( 8200 calls) cdiaghg:para : 9.17s CPU 9.24s WALL ( 16400 calls) Called by h_psi: h_psi:vloc : 225.74s CPU 161.76s WALL ( 8756 calls) h_psi:vnl : 89.34s CPU 74.66s WALL ( 8756 calls) add_vuspsi : 48.67s CPU 40.41s WALL ( 8756 calls) General routines calbec : 40.59s CPU 34.22s WALL ( 8756 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 206.76s CPU 145.69s WALL ( 1191876 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.74s CPU 11.73s WALL ( 560 calls) Parallel routines fft_scatter : 95.26s CPU 80.54s WALL ( 1191899 calls) PWSCF : 12m32.37s CPU 12m14.61s WALL This run was terminated on: 20:35:34 3Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=