Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 2:46 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ClF.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 67 42 12 3008 1491 232 Max 68 43 13 3012 1529 236 Sum 2437 1547 447 108353 54283 8403 bravais-lattice index = 14 lattice parameter (alat) = 8.0257 a.u. unit-cell volume = 1136.7889 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.025666 celldm(2)= 1.501766 celldm(3)= 1.512833 celldm(4)= 0.251225 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 1.501766 0.000000 ) a(3) = ( 0.000000 0.380061 1.464314 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.665883 -0.172829 ) b(3) = ( 0.000000 0.000000 0.682914 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) F 7.00 18.99840 F( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0131330), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0262659), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0393989), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0525318), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0656648), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.0787977), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.0919307), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1050636), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1181966), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1313295), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.1444625), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.1575954), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.1707284), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.1838613), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.1969943), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.2101272), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.2232602), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.2363932), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.2495261), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.2626591), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.2757920), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.2889250), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.3020579), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.3151909), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.3283238), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.3414568), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.3414568), wk = 0.0036765 k( 29) = ( 0.0000000 0.0133373 0.3414568), wk = 0.0036765 k( 30) = ( 0.0000000 0.0266745 0.3414568), wk = 0.0036765 k( 31) = ( 0.0000000 0.0400118 0.3414568), wk = 0.0036765 k( 32) = ( 0.0000000 0.0533491 0.3414568), wk = 0.0036765 k( 33) = ( 0.0000000 0.0666864 0.3414568), wk = 0.0036765 k( 34) = ( 0.0000000 0.0800236 0.3414568), wk = 0.0036765 k( 35) = ( 0.0000000 0.0933609 0.3414568), wk = 0.0036765 k( 36) = ( 0.0000000 0.1066982 0.3414568), wk = 0.0036765 k( 37) = ( 0.0000000 0.1200354 0.3414568), wk = 0.0036765 k( 38) = ( 0.0000000 0.1333727 0.3414568), wk = 0.0036765 k( 39) = ( 0.0000000 0.1467100 0.3414568), wk = 0.0036765 k( 40) = ( 0.0000000 0.1600473 0.3414568), wk = 0.0036765 k( 41) = ( 0.0000000 0.1733845 0.3414568), wk = 0.0036765 k( 42) = ( 0.0000000 0.1867218 0.3414568), wk = 0.0036765 k( 43) = ( 0.0000000 0.2000591 0.3414568), wk = 0.0036765 k( 44) = ( 0.0000000 0.2133964 0.3414568), wk = 0.0036765 k( 45) = ( 0.0000000 0.2267336 0.3414568), wk = 0.0036765 k( 46) = ( 0.0000000 0.2400709 0.3414568), wk = 0.0036765 k( 47) = ( 0.0000000 0.2534082 0.3414568), wk = 0.0036765 k( 48) = ( 0.0000000 0.2667454 0.3414568), wk = 0.0036765 k( 49) = ( 0.0000000 0.2667454 0.3414568), wk = 0.0036765 k( 50) = ( 0.0000000 0.2741005 0.3318552), wk = 0.0036765 k( 51) = ( 0.0000000 0.2814556 0.3222535), wk = 0.0036765 k( 52) = ( 0.0000000 0.2888107 0.3126519), wk = 0.0036765 k( 53) = ( 0.0000000 0.2961659 0.3030503), wk = 0.0036765 k( 54) = ( 0.0000000 0.3035210 0.2934487), wk = 0.0036765 k( 55) = ( 0.0000000 0.3108761 0.2838471), wk = 0.0036765 k( 56) = ( 0.0000000 0.3182312 0.2742455), wk = 0.0036765 k( 57) = ( 0.0000000 0.3255863 0.2646438), wk = 0.0036765 k( 58) = ( 0.0000000 0.3329414 0.2550422), wk = 0.0036765 k( 59) = ( 0.0000000 0.3329414 0.2550422), wk = 0.0036765 k( 60) = ( 0.0135135 0.3329414 0.2550422), wk = 0.0036765 k( 61) = ( 0.0270270 0.3329414 0.2550422), wk = 0.0036765 k( 62) = ( 0.0405405 0.3329414 0.2550422), wk = 0.0036765 k( 63) = ( 0.0540540 0.3329414 0.2550422), wk = 0.0036765 k( 64) = ( 0.0675676 0.3329414 0.2550422), wk = 0.0036765 k( 65) = ( 0.0810811 0.3329414 0.2550422), wk = 0.0036765 k( 66) = ( 0.0945946 0.3329414 0.2550422), wk = 0.0036765 k( 67) = ( 0.1081081 0.3329414 0.2550422), wk = 0.0036765 k( 68) = ( 0.1216216 0.3329414 0.2550422), wk = 0.0036765 k( 69) = ( 0.1351351 0.3329414 0.2550422), wk = 0.0036765 k( 70) = ( 0.1486486 0.3329414 0.2550422), wk = 0.0036765 k( 71) = ( 0.1621622 0.3329414 0.2550422), wk = 0.0036765 k( 72) = ( 0.1756757 0.3329414 0.2550422), wk = 0.0036765 k( 73) = ( 0.1891892 0.3329414 0.2550422), wk = 0.0036765 k( 74) = ( 0.2027027 0.3329414 0.2550422), wk = 0.0036765 k( 75) = ( 0.2162162 0.3329414 0.2550422), wk = 0.0036765 k( 76) = ( 0.2297297 0.3329414 0.2550422), wk = 0.0036765 k( 77) = ( 0.2432432 0.3329414 0.2550422), wk = 0.0036765 k( 78) = ( 0.2567568 0.3329414 0.2550422), wk = 0.0036765 k( 79) = ( 0.2702703 0.3329414 0.2550422), wk = 0.0036765 k( 80) = ( 0.2837838 0.3329414 0.2550422), wk = 0.0036765 k( 81) = ( 0.2972973 0.3329414 0.2550422), wk = 0.0036765 k( 82) = ( 0.3108108 0.3329414 0.2550422), wk = 0.0036765 k( 83) = ( 0.3243243 0.3329414 0.2550422), wk = 0.0036765 k( 84) = ( 0.3378378 0.3329414 0.2550422), wk = 0.0036765 k( 85) = ( 0.3513514 0.3329414 0.2550422), wk = 0.0036765 k( 86) = ( 0.3648649 0.3329414 0.2550422), wk = 0.0036765 k( 87) = ( 0.3783784 0.3329414 0.2550422), wk = 0.0036765 k( 88) = ( 0.3918919 0.3329414 0.2550422), wk = 0.0036765 k( 89) = ( 0.4054054 0.3329414 0.2550422), wk = 0.0036765 k( 90) = ( 0.4189189 0.3329414 0.2550422), wk = 0.0036765 k( 91) = ( 0.4324324 0.3329414 0.2550422), wk = 0.0036765 k( 92) = ( 0.4459459 0.3329414 0.2550422), wk = 0.0036765 k( 93) = ( 0.4594595 0.3329414 0.2550422), wk = 0.0036765 k( 94) = ( 0.4729730 0.3329414 0.2550422), wk = 0.0036765 k( 95) = ( 0.4864865 0.3329414 0.2550422), wk = 0.0036765 k( 96) = ( 0.5000000 0.3329414 0.2550422), wk = 0.0036765 k( 97) = ( 0.5000000 0.3329414 0.2550422), wk = 0.0036765 k( 98) = ( 0.5000000 0.3402965 0.2454406), wk = 0.0036765 k( 99) = ( 0.5000000 0.3476516 0.2358390), wk = 0.0036765 k( 100) = ( 0.5000000 0.3550067 0.2262374), wk = 0.0036765 k( 101) = ( 0.5000000 0.3623618 0.2166358), wk = 0.0036765 k( 102) = ( 0.5000000 0.3697169 0.2070342), wk = 0.0036765 k( 103) = ( 0.5000000 0.3770720 0.1974325), wk = 0.0036765 k( 104) = ( 0.5000000 0.3844271 0.1878309), wk = 0.0036765 k( 105) = ( 0.5000000 0.3917822 0.1782293), wk = 0.0036765 k( 106) = ( 0.5000000 0.3991373 0.1686277), wk = 0.0036765 k( 107) = ( 0.5000000 0.3991373 0.1686277), wk = 0.0036765 k( 108) = ( 0.5000000 0.3958275 0.1558756), wk = 0.0036765 k( 109) = ( 0.5000000 0.3925177 0.1431235), wk = 0.0036765 k( 110) = ( 0.5000000 0.3892079 0.1303714), wk = 0.0036765 k( 111) = ( 0.5000000 0.3858981 0.1176192), wk = 0.0036765 k( 112) = ( 0.5000000 0.3825883 0.1048671), wk = 0.0036765 k( 113) = ( 0.5000000 0.3792785 0.0921150), wk = 0.0036765 k( 114) = ( 0.5000000 0.3759687 0.0793629), wk = 0.0036765 k( 115) = ( 0.5000000 0.3726589 0.0666108), wk = 0.0036765 k( 116) = ( 0.5000000 0.3693491 0.0538587), wk = 0.0036765 k( 117) = ( 0.5000000 0.3660393 0.0411066), wk = 0.0036765 k( 118) = ( 0.5000000 0.3627295 0.0283545), wk = 0.0036765 k( 119) = ( 0.5000000 0.3594197 0.0156024), wk = 0.0036765 k( 120) = ( 0.5000000 0.3561099 0.0028502), wk = 0.0036765 k( 121) = ( 0.5000000 0.3528001 -0.0099019), wk = 0.0036765 k( 122) = ( 0.5000000 0.3494903 -0.0226540), wk = 0.0036765 k( 123) = ( 0.5000000 0.3461805 -0.0354061), wk = 0.0036765 k( 124) = ( 0.5000000 0.3428708 -0.0481582), wk = 0.0036765 k( 125) = ( 0.5000000 0.3395610 -0.0609103), wk = 0.0036765 k( 126) = ( 0.5000000 0.3362512 -0.0736624), wk = 0.0036765 k( 127) = ( 0.5000000 0.3329414 -0.0864145), wk = 0.0036765 k( 128) = ( 0.5000000 0.3329414 -0.0864145), wk = 0.0036765 k( 129) = ( 0.4864865 0.3329414 -0.0864145), wk = 0.0036765 k( 130) = ( 0.4729730 0.3329414 -0.0864145), wk = 0.0036765 k( 131) = ( 0.4594595 0.3329414 -0.0864145), wk = 0.0036765 k( 132) = ( 0.4459459 0.3329414 -0.0864145), wk = 0.0036765 k( 133) = ( 0.4324324 0.3329414 -0.0864145), wk = 0.0036765 k( 134) = ( 0.4189189 0.3329414 -0.0864145), wk = 0.0036765 k( 135) = ( 0.4054054 0.3329414 -0.0864145), wk = 0.0036765 k( 136) = ( 0.3918919 0.3329414 -0.0864145), wk = 0.0036765 k( 137) = ( 0.3783784 0.3329414 -0.0864145), wk = 0.0036765 k( 138) = ( 0.3648649 0.3329414 -0.0864145), wk = 0.0036765 k( 139) = ( 0.3513514 0.3329414 -0.0864145), wk = 0.0036765 k( 140) = ( 0.3378378 0.3329414 -0.0864145), wk = 0.0036765 k( 141) = ( 0.3243243 0.3329414 -0.0864145), wk = 0.0036765 k( 142) = ( 0.3108108 0.3329414 -0.0864145), wk = 0.0036765 k( 143) = ( 0.2972973 0.3329414 -0.0864145), wk = 0.0036765 k( 144) = ( 0.2837838 0.3329414 -0.0864145), wk = 0.0036765 k( 145) = ( 0.2702703 0.3329414 -0.0864145), wk = 0.0036765 k( 146) = ( 0.2567568 0.3329414 -0.0864145), wk = 0.0036765 k( 147) = ( 0.2432432 0.3329414 -0.0864145), wk = 0.0036765 k( 148) = ( 0.2297297 0.3329414 -0.0864145), wk = 0.0036765 k( 149) = ( 0.2162162 0.3329414 -0.0864145), wk = 0.0036765 k( 150) = ( 0.2027027 0.3329414 -0.0864145), wk = 0.0036765 k( 151) = ( 0.1891892 0.3329414 -0.0864145), wk = 0.0036765 k( 152) = ( 0.1756757 0.3329414 -0.0864145), wk = 0.0036765 k( 153) = ( 0.1621622 0.3329414 -0.0864145), wk = 0.0036765 k( 154) = ( 0.1486486 0.3329414 -0.0864145), wk = 0.0036765 k( 155) = ( 0.1351351 0.3329414 -0.0864145), wk = 0.0036765 k( 156) = ( 0.1216216 0.3329414 -0.0864145), wk = 0.0036765 k( 157) = ( 0.1081081 0.3329414 -0.0864145), wk = 0.0036765 k( 158) = ( 0.0945946 0.3329414 -0.0864145), wk = 0.0036765 k( 159) = ( 0.0810811 0.3329414 -0.0864145), wk = 0.0036765 k( 160) = ( 0.0675676 0.3329414 -0.0864145), wk = 0.0036765 k( 161) = ( 0.0540540 0.3329414 -0.0864145), wk = 0.0036765 k( 162) = ( 0.0405405 0.3329414 -0.0864145), wk = 0.0036765 k( 163) = ( 0.0270270 0.3329414 -0.0864145), wk = 0.0036765 k( 164) = ( 0.0135135 0.3329414 -0.0864145), wk = 0.0036765 k( 165) = ( 0.0000000 0.3329414 -0.0864145), wk = 0.0036765 k( 166) = ( 0.0000000 0.3329414 -0.0864145), wk = 0.0036765 k( 167) = ( 0.0000000 0.3362512 -0.0736624), wk = 0.0036765 k( 168) = ( 0.0000000 0.3395610 -0.0609103), wk = 0.0036765 k( 169) = ( 0.0000000 0.3428708 -0.0481582), wk = 0.0036765 k( 170) = ( 0.0000000 0.3461805 -0.0354061), wk = 0.0036765 k( 171) = ( 0.0000000 0.3494903 -0.0226540), wk = 0.0036765 k( 172) = ( 0.0000000 0.3528001 -0.0099019), wk = 0.0036765 k( 173) = ( 0.0000000 0.3561099 0.0028502), wk = 0.0036765 k( 174) = ( 0.0000000 0.3594197 0.0156024), wk = 0.0036765 k( 175) = ( 0.0000000 0.3627295 0.0283545), wk = 0.0036765 k( 176) = ( 0.0000000 0.3660393 0.0411066), wk = 0.0036765 k( 177) = ( 0.0000000 0.3693491 0.0538587), wk = 0.0036765 k( 178) = ( 0.0000000 0.3726589 0.0666108), wk = 0.0036765 k( 179) = ( 0.0000000 0.3759687 0.0793629), wk = 0.0036765 k( 180) = ( 0.0000000 0.3792785 0.0921150), wk = 0.0036765 k( 181) = ( 0.0000000 0.3825883 0.1048671), wk = 0.0036765 k( 182) = ( 0.0000000 0.3858981 0.1176192), wk = 0.0036765 k( 183) = ( 0.0000000 0.3892079 0.1303714), wk = 0.0036765 k( 184) = ( 0.0000000 0.3925177 0.1431235), wk = 0.0036765 k( 185) = ( 0.0000000 0.3958275 0.1558756), wk = 0.0036765 k( 186) = ( 0.0000000 0.3991373 0.1686277), wk = 0.0036765 k( 187) = ( 0.5000000 0.2667454 0.3414568), wk = 0.0036765 k( 188) = ( 0.5000000 0.2534082 0.3414568), wk = 0.0036765 k( 189) = ( 0.5000000 0.2400709 0.3414568), wk = 0.0036765 k( 190) = ( 0.5000000 0.2267336 0.3414568), wk = 0.0036765 k( 191) = ( 0.5000000 0.2133964 0.3414568), wk = 0.0036765 k( 192) = ( 0.5000000 0.2000591 0.3414568), wk = 0.0036765 k( 193) = ( 0.5000000 0.1867218 0.3414568), wk = 0.0036765 k( 194) = ( 0.5000000 0.1733845 0.3414568), wk = 0.0036765 k( 195) = ( 0.5000000 0.1600473 0.3414568), wk = 0.0036765 k( 196) = ( 0.5000000 0.1467100 0.3414568), wk = 0.0036765 k( 197) = ( 0.5000000 0.1333727 0.3414568), wk = 0.0036765 k( 198) = ( 0.5000000 0.1200354 0.3414568), wk = 0.0036765 k( 199) = ( 0.5000000 0.1066982 0.3414568), wk = 0.0036765 k( 200) = ( 0.5000000 0.0933609 0.3414568), wk = 0.0036765 k( 201) = ( 0.5000000 0.0800236 0.3414568), wk = 0.0036765 k( 202) = ( 0.5000000 0.0666864 0.3414568), wk = 0.0036765 k( 203) = ( 0.5000000 0.0533491 0.3414568), wk = 0.0036765 k( 204) = ( 0.5000000 0.0400118 0.3414568), wk = 0.0036765 k( 205) = ( 0.5000000 0.0266745 0.3414568), wk = 0.0036765 k( 206) = ( 0.5000000 0.0133373 0.3414568), wk = 0.0036765 k( 207) = ( 0.5000000 -0.0000000 0.3414568), wk = 0.0036765 k( 208) = ( 0.5000000 -0.0000000 0.3414568), wk = 0.0036765 k( 209) = ( 0.5000000 -0.0000000 0.3283238), wk = 0.0036765 k( 210) = ( 0.5000000 -0.0000000 0.3151909), wk = 0.0036765 k( 211) = ( 0.5000000 -0.0000000 0.3020579), wk = 0.0036765 k( 212) = ( 0.5000000 -0.0000000 0.2889250), wk = 0.0036765 k( 213) = ( 0.5000000 -0.0000000 0.2757920), wk = 0.0036765 k( 214) = ( 0.5000000 -0.0000000 0.2626591), wk = 0.0036765 k( 215) = ( 0.5000000 -0.0000000 0.2495261), wk = 0.0036765 k( 216) = ( 0.5000000 -0.0000000 0.2363932), wk = 0.0036765 k( 217) = ( 0.5000000 -0.0000000 0.2232602), wk = 0.0036765 k( 218) = ( 0.5000000 -0.0000000 0.2101272), wk = 0.0036765 k( 219) = ( 0.5000000 -0.0000000 0.1969943), wk = 0.0036765 k( 220) = ( 0.5000000 -0.0000000 0.1838613), wk = 0.0036765 k( 221) = ( 0.5000000 -0.0000000 0.1707284), wk = 0.0036765 k( 222) = ( 0.5000000 -0.0000000 0.1575954), wk = 0.0036765 k( 223) = ( 0.5000000 -0.0000000 0.1444625), wk = 0.0036765 k( 224) = ( 0.5000000 -0.0000000 0.1313295), wk = 0.0036765 k( 225) = ( 0.5000000 -0.0000000 0.1181966), wk = 0.0036765 k( 226) = ( 0.5000000 -0.0000000 0.1050636), wk = 0.0036765 k( 227) = ( 0.5000000 -0.0000000 0.0919307), wk = 0.0036765 k( 228) = ( 0.5000000 -0.0000000 0.0787977), wk = 0.0036765 k( 229) = ( 0.5000000 -0.0000000 0.0656648), wk = 0.0036765 k( 230) = ( 0.5000000 -0.0000000 0.0525318), wk = 0.0036765 k( 231) = ( 0.5000000 -0.0000000 0.0393989), wk = 0.0036765 k( 232) = ( 0.5000000 -0.0000000 0.0262659), wk = 0.0036765 k( 233) = ( 0.5000000 -0.0000000 0.0131330), wk = 0.0036765 k( 234) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036765 k( 235) = ( 0.0000000 0.0000000 0.3414568), wk = 0.0036765 k( 236) = ( 0.0135135 -0.0000000 0.3414568), wk = 0.0036765 k( 237) = ( 0.0270270 -0.0000000 0.3414568), wk = 0.0036765 k( 238) = ( 0.0405405 -0.0000000 0.3414568), wk = 0.0036765 k( 239) = ( 0.0540540 -0.0000000 0.3414568), wk = 0.0036765 k( 240) = ( 0.0675676 -0.0000000 0.3414568), wk = 0.0036765 k( 241) = ( 0.0810811 -0.0000000 0.3414568), wk = 0.0036765 k( 242) = ( 0.0945946 -0.0000000 0.3414568), wk = 0.0036765 k( 243) = ( 0.1081081 -0.0000000 0.3414568), wk = 0.0036765 k( 244) = ( 0.1216216 -0.0000000 0.3414568), wk = 0.0036765 k( 245) = ( 0.1351351 -0.0000000 0.3414568), wk = 0.0036765 k( 246) = ( 0.1486486 -0.0000000 0.3414568), wk = 0.0036765 k( 247) = ( 0.1621622 -0.0000000 0.3414568), wk = 0.0036765 k( 248) = ( 0.1756757 -0.0000000 0.3414568), wk = 0.0036765 k( 249) = ( 0.1891892 -0.0000000 0.3414568), wk = 0.0036765 k( 250) = ( 0.2027027 -0.0000000 0.3414568), wk = 0.0036765 k( 251) = ( 0.2162162 -0.0000000 0.3414568), wk = 0.0036765 k( 252) = ( 0.2297297 -0.0000000 0.3414568), wk = 0.0036765 k( 253) = ( 0.2432432 -0.0000000 0.3414568), wk = 0.0036765 k( 254) = ( 0.2567568 -0.0000000 0.3414568), wk = 0.0036765 k( 255) = ( 0.2702703 -0.0000000 0.3414568), wk = 0.0036765 k( 256) = ( 0.2837838 -0.0000000 0.3414568), wk = 0.0036765 k( 257) = ( 0.2972973 -0.0000000 0.3414568), wk = 0.0036765 k( 258) = ( 0.3108108 -0.0000000 0.3414568), wk = 0.0036765 k( 259) = ( 0.3243243 -0.0000000 0.3414568), wk = 0.0036765 k( 260) = ( 0.3378378 -0.0000000 0.3414568), wk = 0.0036765 k( 261) = ( 0.3513514 -0.0000000 0.3414568), wk = 0.0036765 k( 262) = ( 0.3648649 -0.0000000 0.3414568), wk = 0.0036765 k( 263) = ( 0.3783784 -0.0000000 0.3414568), wk = 0.0036765 k( 264) = ( 0.3918919 -0.0000000 0.3414568), wk = 0.0036765 k( 265) = ( 0.4054054 -0.0000000 0.3414568), wk = 0.0036765 k( 266) = ( 0.4189189 -0.0000000 0.3414568), wk = 0.0036765 k( 267) = ( 0.4324324 -0.0000000 0.3414568), wk = 0.0036765 k( 268) = ( 0.4459459 -0.0000000 0.3414568), wk = 0.0036765 k( 269) = ( 0.4594595 -0.0000000 0.3414568), wk = 0.0036765 k( 270) = ( 0.4729730 -0.0000000 0.3414568), wk = 0.0036765 k( 271) = ( 0.4864865 -0.0000000 0.3414568), wk = 0.0036765 k( 272) = ( 0.5000000 -0.0000000 0.3414568), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 29) = ( 0.0000000 0.0200295 0.5050690), wk = 0.0036765 k( 30) = ( 0.0000000 0.0400589 0.5101379), wk = 0.0036765 k( 31) = ( 0.0000000 0.0600884 0.5152069), wk = 0.0036765 k( 32) = ( 0.0000000 0.0801178 0.5202759), wk = 0.0036765 k( 33) = ( 0.0000000 0.1001473 0.5253449), wk = 0.0036765 k( 34) = ( 0.0000000 0.1201768 0.5304139), wk = 0.0036765 k( 35) = ( 0.0000000 0.1402062 0.5354828), wk = 0.0036765 k( 36) = ( 0.0000000 0.1602357 0.5405518), wk = 0.0036765 k( 37) = ( 0.0000000 0.1802651 0.5456208), wk = 0.0036765 k( 38) = ( 0.0000000 0.2002946 0.5506898), wk = 0.0036765 k( 39) = ( 0.0000000 0.2203241 0.5557587), wk = 0.0036765 k( 40) = ( 0.0000000 0.2403535 0.5608277), wk = 0.0036765 k( 41) = ( 0.0000000 0.2603830 0.5658967), wk = 0.0036765 k( 42) = ( 0.0000000 0.2804125 0.5709657), wk = 0.0036765 k( 43) = ( 0.0000000 0.3004419 0.5760347), wk = 0.0036765 k( 44) = ( 0.0000000 0.3204714 0.5811036), wk = 0.0036765 k( 45) = ( 0.0000000 0.3405008 0.5861726), wk = 0.0036765 k( 46) = ( 0.0000000 0.3605303 0.5912416), wk = 0.0036765 k( 47) = ( 0.0000000 0.3805598 0.5963106), wk = 0.0036765 k( 48) = ( 0.0000000 0.4005892 0.6013795), wk = 0.0036765 k( 49) = ( 0.0000000 0.4005892 0.6013795), wk = 0.0036765 k( 50) = ( 0.0000000 0.4116349 0.5901152), wk = 0.0036765 k( 51) = ( 0.0000000 0.4226805 0.5788508), wk = 0.0036765 k( 52) = ( 0.0000000 0.4337261 0.5675864), wk = 0.0036765 k( 53) = ( 0.0000000 0.4447718 0.5563220), wk = 0.0036765 k( 54) = ( 0.0000000 0.4558174 0.5450576), wk = 0.0036765 k( 55) = ( 0.0000000 0.4668631 0.5337932), wk = 0.0036765 k( 56) = ( 0.0000000 0.4779087 0.5225288), wk = 0.0036765 k( 57) = ( 0.0000000 0.4889544 0.5112644), wk = 0.0036765 k( 58) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 59) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 60) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0036765 k( 61) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0036765 k( 62) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0036765 k( 63) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0036765 k( 64) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0036765 k( 65) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0036765 k( 66) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0036765 k( 67) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0036765 k( 68) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0036765 k( 69) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0036765 k( 70) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0036765 k( 71) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0036765 k( 72) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0036765 k( 73) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0036765 k( 74) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0036765 k( 75) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0036765 k( 76) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0036765 k( 77) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0036765 k( 78) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0036765 k( 79) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0036765 k( 80) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0036765 k( 81) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0036765 k( 82) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0036765 k( 83) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0036765 k( 84) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0036765 k( 85) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0036765 k( 86) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0036765 k( 87) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0036765 k( 88) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0036765 k( 89) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0036765 k( 90) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0036765 k( 91) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0036765 k( 92) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0036765 k( 93) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0036765 k( 94) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0036765 k( 95) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0036765 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 97) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 98) = ( 0.5000000 0.5110456 0.4887356), wk = 0.0036765 k( 99) = ( 0.5000000 0.5220913 0.4774712), wk = 0.0036765 k( 100) = ( 0.5000000 0.5331369 0.4662068), wk = 0.0036765 k( 101) = ( 0.5000000 0.5441826 0.4549424), wk = 0.0036765 k( 102) = ( 0.5000000 0.5552282 0.4436780), wk = 0.0036765 k( 103) = ( 0.5000000 0.5662738 0.4324136), wk = 0.0036765 k( 104) = ( 0.5000000 0.5773195 0.4211492), wk = 0.0036765 k( 105) = ( 0.5000000 0.5883651 0.4098848), wk = 0.0036765 k( 106) = ( 0.5000000 0.5994108 0.3986204), wk = 0.0036765 k( 107) = ( 0.5000000 0.5994108 0.3986204), wk = 0.0036765 k( 108) = ( 0.5000000 0.5944402 0.3786894), wk = 0.0036765 k( 109) = ( 0.5000000 0.5894697 0.3587584), wk = 0.0036765 k( 110) = ( 0.5000000 0.5844991 0.3388274), wk = 0.0036765 k( 111) = ( 0.5000000 0.5795286 0.3188964), wk = 0.0036765 k( 112) = ( 0.5000000 0.5745581 0.2989653), wk = 0.0036765 k( 113) = ( 0.5000000 0.5695875 0.2790343), wk = 0.0036765 k( 114) = ( 0.5000000 0.5646170 0.2591033), wk = 0.0036765 k( 115) = ( 0.5000000 0.5596465 0.2391723), wk = 0.0036765 k( 116) = ( 0.5000000 0.5546759 0.2192412), wk = 0.0036765 k( 117) = ( 0.5000000 0.5497054 0.1993102), wk = 0.0036765 k( 118) = ( 0.5000000 0.5447348 0.1793792), wk = 0.0036765 k( 119) = ( 0.5000000 0.5397643 0.1594482), wk = 0.0036765 k( 120) = ( 0.5000000 0.5347938 0.1395172), wk = 0.0036765 k( 121) = ( 0.5000000 0.5298232 0.1195861), wk = 0.0036765 k( 122) = ( 0.5000000 0.5248527 0.0996551), wk = 0.0036765 k( 123) = ( 0.5000000 0.5198822 0.0797241), wk = 0.0036765 k( 124) = ( 0.5000000 0.5149116 0.0597931), wk = 0.0036765 k( 125) = ( 0.5000000 0.5099411 0.0398621), wk = 0.0036765 k( 126) = ( 0.5000000 0.5049705 0.0199310), wk = 0.0036765 k( 127) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 128) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 129) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0036765 k( 130) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0036765 k( 131) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0036765 k( 132) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0036765 k( 133) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0036765 k( 134) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0036765 k( 135) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0036765 k( 136) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0036765 k( 137) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0036765 k( 138) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0036765 k( 139) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0036765 k( 140) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0036765 k( 141) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0036765 k( 142) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0036765 k( 143) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0036765 k( 144) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0036765 k( 145) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0036765 k( 146) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0036765 k( 147) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0036765 k( 148) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0036765 k( 149) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0036765 k( 150) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0036765 k( 151) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0036765 k( 152) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0036765 k( 153) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0036765 k( 154) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0036765 k( 155) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0036765 k( 156) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0036765 k( 157) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0036765 k( 158) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0036765 k( 159) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0036765 k( 160) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0036765 k( 161) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0036765 k( 162) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0036765 k( 163) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0036765 k( 164) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0036765 k( 165) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 166) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 167) = ( 0.0000000 0.5049705 0.0199310), wk = 0.0036765 k( 168) = ( 0.0000000 0.5099411 0.0398621), wk = 0.0036765 k( 169) = ( 0.0000000 0.5149116 0.0597931), wk = 0.0036765 k( 170) = ( 0.0000000 0.5198822 0.0797241), wk = 0.0036765 k( 171) = ( 0.0000000 0.5248527 0.0996551), wk = 0.0036765 k( 172) = ( 0.0000000 0.5298232 0.1195861), wk = 0.0036765 k( 173) = ( 0.0000000 0.5347938 0.1395172), wk = 0.0036765 k( 174) = ( 0.0000000 0.5397643 0.1594482), wk = 0.0036765 k( 175) = ( 0.0000000 0.5447348 0.1793792), wk = 0.0036765 k( 176) = ( 0.0000000 0.5497054 0.1993102), wk = 0.0036765 k( 177) = ( 0.0000000 0.5546759 0.2192412), wk = 0.0036765 k( 178) = ( 0.0000000 0.5596465 0.2391723), wk = 0.0036765 k( 179) = ( 0.0000000 0.5646170 0.2591033), wk = 0.0036765 k( 180) = ( 0.0000000 0.5695875 0.2790343), wk = 0.0036765 k( 181) = ( 0.0000000 0.5745581 0.2989653), wk = 0.0036765 k( 182) = ( 0.0000000 0.5795286 0.3188964), wk = 0.0036765 k( 183) = ( 0.0000000 0.5844991 0.3388274), wk = 0.0036765 k( 184) = ( 0.0000000 0.5894697 0.3587584), wk = 0.0036765 k( 185) = ( 0.0000000 0.5944402 0.3786894), wk = 0.0036765 k( 186) = ( 0.0000000 0.5994108 0.3986204), wk = 0.0036765 k( 187) = ( 0.5000000 0.4005892 0.6013795), wk = 0.0036765 k( 188) = ( 0.5000000 0.3805598 0.5963106), wk = 0.0036765 k( 189) = ( 0.5000000 0.3605303 0.5912416), wk = 0.0036765 k( 190) = ( 0.5000000 0.3405008 0.5861726), wk = 0.0036765 k( 191) = ( 0.5000000 0.3204714 0.5811036), wk = 0.0036765 k( 192) = ( 0.5000000 0.3004419 0.5760347), wk = 0.0036765 k( 193) = ( 0.5000000 0.2804125 0.5709657), wk = 0.0036765 k( 194) = ( 0.5000000 0.2603830 0.5658967), wk = 0.0036765 k( 195) = ( 0.5000000 0.2403535 0.5608277), wk = 0.0036765 k( 196) = ( 0.5000000 0.2203241 0.5557587), wk = 0.0036765 k( 197) = ( 0.5000000 0.2002946 0.5506898), wk = 0.0036765 k( 198) = ( 0.5000000 0.1802651 0.5456208), wk = 0.0036765 k( 199) = ( 0.5000000 0.1602357 0.5405518), wk = 0.0036765 k( 200) = ( 0.5000000 0.1402062 0.5354828), wk = 0.0036765 k( 201) = ( 0.5000000 0.1201768 0.5304139), wk = 0.0036765 k( 202) = ( 0.5000000 0.1001473 0.5253449), wk = 0.0036765 k( 203) = ( 0.5000000 0.0801178 0.5202759), wk = 0.0036765 k( 204) = ( 0.5000000 0.0600884 0.5152069), wk = 0.0036765 k( 205) = ( 0.5000000 0.0400589 0.5101379), wk = 0.0036765 k( 206) = ( 0.5000000 0.0200295 0.5050690), wk = 0.0036765 k( 207) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 k( 208) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 k( 209) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0036765 k( 210) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0036765 k( 211) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0036765 k( 212) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0036765 k( 213) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0036765 k( 214) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0036765 k( 215) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0036765 k( 216) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0036765 k( 217) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0036765 k( 218) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0036765 k( 219) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0036765 k( 220) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0036765 k( 221) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0036765 k( 222) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0036765 k( 223) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0036765 k( 224) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0036765 k( 225) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0036765 k( 226) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0036765 k( 227) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0036765 k( 228) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0036765 k( 229) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0036765 k( 230) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0036765 k( 231) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0036765 k( 232) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0036765 k( 233) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0036765 k( 234) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036765 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 236) = ( 0.0135135 -0.0000000 0.5000000), wk = 0.0036765 k( 237) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0036765 k( 238) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0036765 k( 239) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0036765 k( 240) = ( 0.0675676 0.0000000 0.5000000), wk = 0.0036765 k( 241) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0036765 k( 242) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0036765 k( 243) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0036765 k( 244) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0036765 k( 245) = ( 0.1351351 0.0000000 0.5000000), wk = 0.0036765 k( 246) = ( 0.1486486 0.0000000 0.5000000), wk = 0.0036765 k( 247) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0036765 k( 248) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0036765 k( 249) = ( 0.1891892 0.0000000 0.5000000), wk = 0.0036765 k( 250) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0036765 k( 251) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0036765 k( 252) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0036765 k( 253) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0036765 k( 254) = ( 0.2567568 0.0000000 0.5000000), wk = 0.0036765 k( 255) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0036765 k( 256) = ( 0.2837838 0.0000000 0.5000000), wk = 0.0036765 k( 257) = ( 0.2972973 0.0000000 0.5000000), wk = 0.0036765 k( 258) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0036765 k( 259) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0036765 k( 260) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0036765 k( 261) = ( 0.3513514 -0.0000000 0.5000000), wk = 0.0036765 k( 262) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0036765 k( 263) = ( 0.3783784 0.0000000 0.5000000), wk = 0.0036765 k( 264) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0036765 k( 265) = ( 0.4054054 -0.0000000 0.5000000), wk = 0.0036765 k( 266) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0036765 k( 267) = ( 0.4324324 -0.0000000 0.5000000), wk = 0.0036765 k( 268) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0036765 k( 269) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0036765 k( 270) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0036765 k( 271) = ( 0.4864865 -0.0000000 0.5000000), wk = 0.0036765 k( 272) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 Dense grid: 108353 G-vectors FFT dimensions: ( 45, 72, 72) Smooth grid: 54283 G-vectors FFT dimensions: ( 40, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 386, 68) NL pseudopotentials 0.57 Mb ( 193, 192) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 3011) G-vector shells 0.02 Mb ( 2978) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.60 Mb ( 386, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.40 Mb ( 192, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ClF.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.6 secs Computing kpt #: 12 total cpu time spent up to now is 10.5 secs Computing kpt #: 13 total cpu time spent up to now is 11.3 secs Computing kpt #: 14 total cpu time spent up to now is 12.2 secs Computing kpt #: 15 total cpu time spent up to now is 13.2 secs Computing kpt #: 16 total cpu time spent up to now is 14.4 secs Computing kpt #: 17 total cpu time spent up to now is 16.1 secs Computing kpt #: 18 total cpu time spent up to now is 17.1 secs Computing kpt #: 19 total cpu time spent up to now is 18.2 secs Computing kpt #: 20 total cpu time spent up to now is 19.1 secs Computing kpt #: 21 total cpu time spent up to now is 20.0 secs Computing kpt #: 22 total cpu time spent up to now is 20.9 secs Computing kpt #: 23 total cpu time spent up to now is 21.7 secs Computing kpt #: 24 total cpu time spent up to now is 22.5 secs Computing kpt #: 25 total cpu time spent up to now is 23.3 secs Computing kpt #: 26 total cpu time spent up to now is 24.1 secs Computing kpt #: 27 total cpu time spent up to now is 24.9 secs Computing kpt #: 28 total cpu time spent up to now is 25.7 secs Computing kpt #: 29 total cpu time spent up to now is 26.5 secs Computing kpt #: 30 total cpu time spent up to now is 27.3 secs Computing kpt #: 31 total cpu time spent up to now is 28.1 secs Computing kpt #: 32 total cpu time spent up to now is 28.8 secs Computing kpt #: 33 total cpu time spent up to now is 29.6 secs Computing kpt #: 34 total cpu time spent up to now is 30.4 secs Computing kpt #: 35 total cpu time spent up to now is 31.2 secs Computing kpt #: 36 total cpu time spent up to now is 32.0 secs Computing kpt #: 37 total cpu time spent up to now is 32.8 secs Computing kpt #: 38 total cpu time spent up to now is 33.6 secs Computing kpt #: 39 total cpu time spent up to now is 34.4 secs Computing kpt #: 40 total cpu time spent up to now is 35.2 secs Computing kpt #: 41 total cpu time spent up to now is 36.1 secs Computing kpt #: 42 total cpu time spent up to now is 36.9 secs Computing kpt #: 43 total cpu time spent up to now is 37.7 secs Computing kpt #: 44 total cpu time spent up to now is 38.5 secs Computing kpt #: 45 total cpu time spent up to now is 39.4 secs Computing kpt #: 46 total cpu time spent up to now is 40.2 secs Computing kpt #: 47 total cpu time spent up to now is 41.1 secs Computing kpt #: 48 total cpu time spent up to now is 42.1 secs Computing kpt #: 49 total cpu time spent up to now is 43.1 secs Computing kpt #: 50 total cpu time spent up to now is 44.0 secs Computing kpt #: 51 total cpu time spent up to now is 44.8 secs Computing kpt #: 52 total cpu time spent up to now is 45.7 secs Computing kpt #: 53 total cpu time spent up to now is 46.6 secs Computing kpt #: 54 total cpu time spent up to now is 47.4 secs Computing kpt #: 55 total cpu time spent up to now is 48.3 secs Computing kpt #: 56 total cpu time spent up to now is 49.1 secs Computing kpt #: 57 total cpu time spent up to now is 50.0 secs Computing kpt #: 58 total cpu time spent up to now is 50.8 secs Computing kpt #: 59 total cpu time spent up to now is 51.6 secs Computing kpt #: 60 total cpu time spent up to now is 52.5 secs Computing kpt #: 61 total cpu time spent up to now is 53.3 secs Computing kpt #: 62 total cpu time spent up to now is 54.2 secs Computing kpt #: 63 total cpu time spent up to now is 55.0 secs Computing kpt #: 64 total cpu time spent up to now is 55.8 secs Computing kpt #: 65 total cpu time spent up to now is 56.7 secs Computing kpt #: 66 total cpu time spent up to now is 57.5 secs Computing kpt #: 67 total cpu time spent up to now is 58.3 secs Computing kpt #: 68 total cpu time spent up to now is 59.2 secs Computing kpt #: 69 total cpu time spent up to now is 60.0 secs Computing kpt #: 70 total cpu time spent up to now is 60.8 secs Computing kpt #: 71 total cpu time spent up to now is 61.7 secs Computing kpt #: 72 total cpu time spent up to now is 62.5 secs Computing kpt #: 73 total cpu time spent up to now is 63.3 secs Computing kpt #: 74 total cpu time spent up to now is 64.2 secs Computing kpt #: 75 total cpu time spent up to now is 65.0 secs Computing kpt #: 76 total cpu time spent up to now is 65.8 secs Computing kpt #: 77 total cpu time spent up to now is 66.6 secs Computing kpt #: 78 total cpu time spent up to now is 67.5 secs Computing kpt #: 79 total cpu time spent up to now is 68.3 secs Computing kpt #: 80 total cpu time spent up to now is 69.1 secs Computing kpt #: 81 total cpu time spent up to now is 69.9 secs Computing kpt #: 82 total cpu time spent up to now is 70.8 secs Computing kpt #: 83 total cpu time spent up to now is 71.6 secs Computing kpt #: 84 total cpu time spent up to now is 72.4 secs Computing kpt #: 85 total cpu time spent up to now is 73.2 secs Computing kpt #: 86 total cpu time spent up to now is 74.1 secs Computing kpt #: 87 total cpu time spent up to now is 74.9 secs Computing kpt #: 88 total cpu time spent up to now is 75.7 secs Computing kpt #: 89 total cpu time spent up to now is 76.6 secs Computing kpt #: 90 total cpu time spent up to now is 77.4 secs Computing kpt #: 91 total cpu time spent up to now is 78.2 secs Computing kpt #: 92 total cpu time spent up to now is 79.1 secs Computing kpt #: 93 total cpu time spent up to now is 79.9 secs Computing kpt #: 94 total cpu time spent up to now is 80.8 secs Computing kpt #: 95 total cpu time spent up to now is 81.6 secs Computing kpt #: 96 total cpu time spent up to now is 82.5 secs Computing kpt #: 97 total cpu time spent up to now is 83.3 secs Computing kpt #: 98 total cpu time spent up to now is 84.2 secs Computing kpt #: 99 total cpu time spent up to now is 85.0 secs Computing kpt #: 100 total cpu time spent up to now is 85.9 secs Computing kpt #: 101 total cpu time spent up to now is 86.7 secs Computing kpt #: 102 total cpu time spent up to now is 87.6 secs Computing kpt #: 103 total cpu time spent up to now is 88.4 secs Computing kpt #: 104 total cpu time spent up to now is 89.2 secs Computing kpt #: 105 total cpu time spent up to now is 90.1 secs Computing kpt #: 106 total cpu time spent up to now is 90.9 secs Computing kpt #: 107 total cpu time spent up to now is 91.7 secs Computing kpt #: 108 total cpu time spent up to now is 92.5 secs Computing kpt #: 109 total cpu time spent up to now is 93.4 secs Computing kpt #: 110 total cpu time spent up to now is 94.2 secs Computing kpt #: 111 total cpu time spent up to now is 95.0 secs Computing kpt #: 112 total cpu time spent up to now is 95.8 secs Computing kpt #: 113 total cpu time spent up to now is 96.7 secs Computing kpt #: 114 total cpu time spent up to now is 97.5 secs Computing kpt #: 115 total cpu time spent up to now is 98.3 secs Computing kpt #: 116 total cpu time spent up to now is 99.2 secs Computing kpt #: 117 total cpu time spent up to now is 100.0 secs Computing kpt #: 118 total cpu time spent up to now is 100.9 secs Computing kpt #: 119 total cpu time spent up to now is 101.7 secs Computing kpt #: 120 total cpu time spent up to now is 102.6 secs Computing kpt #: 121 total cpu time spent up to now is 103.5 secs Computing kpt #: 122 total cpu time spent up to now is 104.5 secs Computing kpt #: 123 total cpu time spent up to now is 105.6 secs Computing kpt #: 124 total cpu time spent up to now is 106.8 secs Computing kpt #: 125 total cpu time spent up to now is 108.0 secs Computing kpt #: 126 total cpu time spent up to now is 109.1 secs Computing kpt #: 127 total cpu time spent up to now is 110.3 secs Computing kpt #: 128 total cpu time spent up to now is 111.5 secs Computing kpt #: 129 total cpu time spent up to now is 112.7 secs Computing kpt #: 130 total cpu time spent up to now is 113.7 secs Computing kpt #: 131 total cpu time spent up to now is 114.8 secs Computing kpt #: 132 total cpu time spent up to now is 115.8 secs Computing kpt #: 133 total cpu time spent up to now is 116.7 secs Computing kpt #: 134 total cpu time spent up to now is 117.6 secs Computing kpt #: 135 total cpu time spent up to now is 118.4 secs Computing kpt #: 136 total cpu time spent up to now is 119.3 secs Computing kpt #: 137 total cpu time spent up to now is 120.1 secs Computing kpt #: 138 total cpu time spent up to now is 120.9 secs Computing kpt #: 139 total cpu time spent up to now is 121.7 secs Computing kpt #: 140 total cpu time spent up to now is 122.5 secs Computing kpt #: 141 total cpu time spent up to now is 123.3 secs Computing kpt #: 142 total cpu time spent up to now is 123.9 secs Computing kpt #: 143 total cpu time spent up to now is 124.6 secs Computing kpt #: 144 total cpu time spent up to now is 125.3 secs Computing kpt #: 145 total cpu time spent up to now is 126.0 secs Computing kpt #: 146 total cpu time spent up to now is 126.6 secs Computing kpt #: 147 total cpu time spent up to now is 127.3 secs Computing kpt #: 148 total cpu time spent up to now is 127.9 secs Computing kpt #: 149 total cpu time spent up to now is 128.6 secs Computing kpt #: 150 total cpu time spent up to now is 129.3 secs Computing kpt #: 151 total cpu time spent up to now is 129.9 secs Computing kpt #: 152 total cpu time spent up to now is 130.6 secs Computing kpt #: 153 total cpu time spent up to now is 131.2 secs Computing kpt #: 154 total cpu time spent up to now is 131.9 secs Computing kpt #: 155 total cpu time spent up to now is 132.5 secs Computing kpt #: 156 total cpu time spent up to now is 133.2 secs Computing kpt #: 157 total cpu time spent up to now is 133.8 secs Computing kpt #: 158 total cpu time spent up to now is 134.5 secs Computing kpt #: 159 total cpu time spent up to now is 135.1 secs Computing kpt #: 160 total cpu time spent up to now is 135.8 secs Computing kpt #: 161 total cpu time spent up to now is 136.4 secs Computing kpt #: 162 total cpu time spent up to now is 137.1 secs Computing kpt #: 163 total cpu time spent up to now is 137.7 secs Computing kpt #: 164 total cpu time spent up to now is 138.3 secs Computing kpt #: 165 total cpu time spent up to now is 139.0 secs Computing kpt #: 166 total cpu time spent up to now is 139.6 secs Computing kpt #: 167 total cpu time spent up to now is 140.3 secs Computing kpt #: 168 total cpu time spent up to now is 140.9 secs Computing kpt #: 169 total cpu time spent up to now is 141.5 secs Computing kpt #: 170 total cpu time spent up to now is 142.1 secs Computing kpt #: 171 total cpu time spent up to now is 142.8 secs Computing kpt #: 172 total cpu time spent up to now is 143.4 secs Computing kpt #: 173 total cpu time spent up to now is 144.1 secs Computing kpt #: 174 total cpu time spent up to now is 144.7 secs Computing kpt #: 175 total cpu time spent up to now is 145.4 secs Computing kpt #: 176 total cpu time spent up to now is 146.0 secs Computing kpt #: 177 total cpu time spent up to now is 146.7 secs Computing kpt #: 178 total cpu time spent up to now is 147.3 secs Computing kpt #: 179 total cpu time spent up to now is 148.0 secs Computing kpt #: 180 total cpu time spent up to now is 148.7 secs Computing kpt #: 181 total cpu time spent up to now is 149.5 secs Computing kpt #: 182 total cpu time spent up to now is 150.3 secs Computing kpt #: 183 total cpu time spent up to now is 151.1 secs Computing kpt #: 184 total cpu time spent up to now is 151.9 secs Computing kpt #: 185 total cpu time spent up to now is 152.7 secs Computing kpt #: 186 total cpu time spent up to now is 153.7 secs Computing kpt #: 187 total cpu time spent up to now is 154.5 secs Computing kpt #: 188 total cpu time spent up to now is 155.3 secs Computing kpt #: 189 total cpu time spent up to now is 156.2 secs Computing kpt #: 190 total cpu time spent up to now is 157.0 secs Computing kpt #: 191 total cpu time spent up to now is 157.8 secs Computing kpt #: 192 total cpu time spent up to now is 158.7 secs Computing kpt #: 193 total cpu time spent up to now is 159.5 secs Computing kpt #: 194 total cpu time spent up to now is 160.4 secs Computing kpt #: 195 total cpu time spent up to now is 161.2 secs Computing kpt #: 196 total cpu time spent up to now is 162.0 secs Computing kpt #: 197 total cpu time spent up to now is 162.9 secs Computing kpt #: 198 total cpu time spent up to now is 163.7 secs Computing kpt #: 199 total cpu time spent up to now is 164.6 secs Computing kpt #: 200 total cpu time spent up to now is 165.5 secs Computing kpt #: 201 total cpu time spent up to now is 166.3 secs Computing kpt #: 202 total cpu time spent up to now is 167.2 secs Computing kpt #: 203 total cpu time spent up to now is 168.1 secs Computing kpt #: 204 total cpu time spent up to now is 169.0 secs Computing kpt #: 205 total cpu time spent up to now is 169.9 secs Computing kpt #: 206 total cpu time spent up to now is 170.9 secs Computing kpt #: 207 total cpu time spent up to now is 172.1 secs Computing kpt #: 208 total cpu time spent up to now is 173.3 secs Computing kpt #: 209 total cpu time spent up to now is 174.4 secs Computing kpt #: 210 total cpu time spent up to now is 175.5 secs Computing kpt #: 211 total cpu time spent up to now is 176.8 secs Computing kpt #: 212 total cpu time spent up to now is 177.7 secs Computing kpt #: 213 total cpu time spent up to now is 178.5 secs Computing kpt #: 214 total cpu time spent up to now is 179.4 secs Computing kpt #: 215 total cpu time spent up to now is 180.3 secs Computing kpt #: 216 total cpu time spent up to now is 181.2 secs Computing kpt #: 217 total cpu time spent up to now is 182.1 secs Computing kpt #: 218 total cpu time spent up to now is 182.9 secs Computing kpt #: 219 total cpu time spent up to now is 183.8 secs Computing kpt #: 220 total cpu time spent up to now is 184.6 secs Computing kpt #: 221 total cpu time spent up to now is 185.5 secs Computing kpt #: 222 total cpu time spent up to now is 186.4 secs Computing kpt #: 223 total cpu time spent up to now is 187.2 secs Computing kpt #: 224 total cpu time spent up to now is 188.1 secs Computing kpt #: 225 total cpu time spent up to now is 188.9 secs Computing kpt #: 226 total cpu time spent up to now is 189.7 secs Computing kpt #: 227 total cpu time spent up to now is 190.6 secs Computing kpt #: 228 total cpu time spent up to now is 191.4 secs Computing kpt #: 229 total cpu time spent up to now is 192.2 secs Computing kpt #: 230 total cpu time spent up to now is 193.0 secs Computing kpt #: 231 total cpu time spent up to now is 193.9 secs Computing kpt #: 232 total cpu time spent up to now is 194.7 secs Computing kpt #: 233 total cpu time spent up to now is 195.5 secs Computing kpt #: 234 total cpu time spent up to now is 196.3 secs Computing kpt #: 235 total cpu time spent up to now is 197.1 secs Computing kpt #: 236 total cpu time spent up to now is 197.9 secs Computing kpt #: 237 total cpu time spent up to now is 198.7 secs Computing kpt #: 238 total cpu time spent up to now is 199.5 secs Computing kpt #: 239 total cpu time spent up to now is 200.3 secs Computing kpt #: 240 total cpu time spent up to now is 201.0 secs Computing kpt #: 241 total cpu time spent up to now is 201.8 secs Computing kpt #: 242 total cpu time spent up to now is 202.6 secs Computing kpt #: 243 total cpu time spent up to now is 203.4 secs Computing kpt #: 244 total cpu time spent up to now is 204.2 secs Computing kpt #: 245 total cpu time spent up to now is 205.0 secs Computing kpt #: 246 total cpu time spent up to now is 205.8 secs Computing kpt #: 247 total cpu time spent up to now is 206.6 secs Computing kpt #: 248 total cpu time spent up to now is 207.4 secs Computing kpt #: 249 total cpu time spent up to now is 208.2 secs Computing kpt #: 250 total cpu time spent up to now is 208.9 secs Computing kpt #: 251 total cpu time spent up to now is 209.8 secs Computing kpt #: 252 total cpu time spent up to now is 210.6 secs Computing kpt #: 253 total cpu time spent up to now is 211.4 secs Computing kpt #: 254 total cpu time spent up to now is 212.2 secs Computing kpt #: 255 total cpu time spent up to now is 213.0 secs Computing kpt #: 256 total cpu time spent up to now is 213.8 secs Computing kpt #: 257 total cpu time spent up to now is 214.6 secs Computing kpt #: 258 total cpu time spent up to now is 215.4 secs Computing kpt #: 259 total cpu time spent up to now is 216.2 secs Computing kpt #: 260 total cpu time spent up to now is 217.0 secs Computing kpt #: 261 total cpu time spent up to now is 217.9 secs Computing kpt #: 262 total cpu time spent up to now is 218.7 secs Computing kpt #: 263 total cpu time spent up to now is 219.5 secs Computing kpt #: 264 total cpu time spent up to now is 220.4 secs Computing kpt #: 265 total cpu time spent up to now is 221.2 secs Computing kpt #: 266 total cpu time spent up to now is 222.0 secs Computing kpt #: 267 total cpu time spent up to now is 222.9 secs Computing kpt #: 268 total cpu time spent up to now is 223.7 secs Computing kpt #: 269 total cpu time spent up to now is 224.6 secs Computing kpt #: 270 total cpu time spent up to now is 225.5 secs Computing kpt #: 271 total cpu time spent up to now is 226.4 secs Computing kpt #: 272 total cpu time spent up to now is 227.5 secs ethr = 1.79E-08, avg # of iterations = 25.5 total cpu time spent up to now is 227.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6809 PWs) bands (ev): -24.1154 -24.1154 -23.9866 -23.9866 -23.9863 -23.9863 -23.9802 -23.9802 -14.0869 -14.0869 -13.9147 -13.9147 -13.5345 -13.5345 -13.4990 -13.4990 -6.7412 -6.7412 -6.4009 -6.4009 -6.2402 -6.2402 -6.0209 -6.0209 -5.0004 -5.0004 -4.8630 -4.8630 -4.5494 -4.5494 -4.3563 -4.3563 -4.1845 -4.1845 -4.1645 -4.1645 -4.0843 -4.0843 -3.8921 -3.8921 -1.3029 -1.3029 -1.2339 -1.2339 -0.8019 -0.8019 -0.7297 -0.7297 -0.6547 -0.6547 -0.3170 -0.3170 -0.2935 -0.2935 -0.2202 -0.2202 2.9325 2.9325 2.9717 2.9717 2.9932 2.9932 3.4337 3.4337 7.5641 7.5641 9.5673 9.5673 k = 0.0000 0.0000 0.0131 ( 6805 PWs) bands (ev): -24.1153 -24.1153 -23.9885 -23.9885 -23.9844 -23.9844 -23.9802 -23.9802 -14.0868 -14.0868 -13.9148 -13.9148 -13.5345 -13.5345 -13.4991 -13.4991 -6.7410 -6.7410 -6.4016 -6.4016 -6.2396 -6.2396 -6.0211 -6.0211 -4.9995 -4.9995 -4.8624 -4.8624 -4.5494 -4.5494 -4.3565 -4.3565 -4.1851 -4.1851 -4.1644 -4.1644 -4.0844 -4.0844 -3.8930 -3.8930 -1.3022 -1.3022 -1.2338 -1.2338 -0.8033 -0.8033 -0.7297 -0.7297 -0.6538 -0.6538 -0.3172 -0.3172 -0.2941 -0.2941 -0.2202 -0.2202 2.9324 2.9324 2.9688 2.9688 2.9966 2.9966 3.4334 3.4334 7.5669 7.5669 9.5691 9.5691 k = 0.0000 0.0000 0.0263 ( 6808 PWs) bands (ev): -24.1150 -24.1150 -23.9907 -23.9907 -23.9826 -23.9826 -23.9801 -23.9801 -14.0863 -14.0863 -13.9153 -13.9153 -13.5344 -13.5344 -13.4992 -13.4992 -6.7404 -6.7404 -6.4039 -6.4039 -6.2378 -6.2378 -6.0214 -6.0214 -4.9969 -4.9969 -4.8604 -4.8604 -4.5492 -4.5492 -4.3570 -4.3570 -4.1868 -4.1868 -4.1642 -4.1642 -4.0849 -4.0849 -3.8958 -3.8958 -1.3000 -1.3000 -1.2333 -1.2333 -0.8071 -0.8071 -0.7297 -0.7297 -0.6513 -0.6513 -0.3179 -0.3179 -0.2957 -0.2957 -0.2203 -0.2203 2.9321 2.9321 2.9631 2.9631 3.0041 3.0041 3.4327 3.4327 7.5755 7.5755 9.5748 9.5748 k = 0.0000 0.0000 0.0394 ( 6805 PWs) bands (ev): -24.1146 -24.1146 -23.9930 -23.9930 -23.9809 -23.9809 -23.9799 -23.9799 -14.0856 -14.0856 -13.9161 -13.9161 -13.5342 -13.5342 -13.4993 -13.4993 -6.7394 -6.7394 -6.4075 -6.4075 -6.2350 -6.2350 -6.0220 -6.0220 -4.9926 -4.9926 -4.8572 -4.8572 -4.5488 -4.5488 -4.3580 -4.3580 -4.1897 -4.1897 -4.1639 -4.1639 -4.0857 -4.0857 -3.9004 -3.9004 -1.2964 -1.2964 -1.2324 -1.2324 -0.8132 -0.8132 -0.7296 -0.7296 -0.6473 -0.6473 -0.3196 -0.3196 -0.2979 -0.2979 -0.2203 -0.2203 2.9315 2.9315 2.9569 2.9569 3.0132 3.0132 3.4315 3.4315 7.5897 7.5897 9.5841 9.5841 k = 0.0000 0.0000 0.0525 ( 6801 PWs) bands (ev): -24.1140 -24.1140 -23.9955 -23.9955 -23.9799 -23.9799 -23.9791 -23.9791 -14.0845 -14.0845 -13.9173 -13.9173 -13.5340 -13.5340 -13.4995 -13.4995 -6.7380 -6.7380 -6.4124 -6.4124 -6.2312 -6.2312 -6.0229 -6.0229 -4.9867 -4.9867 -4.8526 -4.8526 -4.5483 -4.5483 -4.3592 -4.3592 -4.1938 -4.1938 -4.1633 -4.1633 -4.0868 -4.0868 -3.9068 -3.9068 -1.2913 -1.2913 -1.2312 -1.2312 -0.8212 -0.8212 -0.7295 -0.7295 -0.6423 -0.6423 -0.3229 -0.3229 -0.2999 -0.2999 -0.2203 -0.2203 2.9305 2.9305 2.9511 2.9511 3.0232 3.0232 3.4299 3.4299 7.6096 7.6096 9.5972 9.5972 k = 0.0000 0.0000 0.0657 ( 6803 PWs) bands (ev): -24.1132 -24.1132 -23.9980 -23.9980 -23.9796 -23.9796 -23.9776 -23.9776 -14.0832 -14.0832 -13.9187 -13.9187 -13.5337 -13.5337 -13.4998 -13.4998 -6.7362 -6.7362 -6.4184 -6.4184 -6.2267 -6.2267 -6.0240 -6.0240 -4.9790 -4.9790 -4.8468 -4.8468 -4.5476 -4.5476 -4.3608 -4.3608 -4.1993 -4.1993 -4.1625 -4.1625 -4.0880 -4.0880 -3.9149 -3.9149 -1.2848 -1.2848 -1.2297 -1.2297 -0.8307 -0.8307 -0.7293 -0.7293 -0.6367 -0.6367 -0.3285 -0.3285 -0.3010 -0.3010 -0.2204 -0.2204 2.9290 2.9290 2.9461 2.9461 3.0338 3.0338 3.4277 3.4277 7.6349 7.6349 9.6140 9.6140 k = 0.0000 0.0000 0.0788 ( 6800 PWs) bands (ev): -24.1123 -24.1123 -24.0006 -24.0006 -23.9793 -23.9793 -23.9763 -23.9763 -14.0815 -14.0815 -13.9205 -13.9205 -13.5334 -13.5334 -13.5002 -13.5002 -6.7341 -6.7341 -6.4253 -6.4253 -6.2215 -6.2215 -6.0254 -6.0254 -4.9698 -4.9698 -4.8397 -4.8397 -4.5469 -4.5469 -4.3627 -4.3627 -4.2061 -4.2061 -4.1614 -4.1614 -4.0895 -4.0895 -3.9248 -3.9248 -1.2770 -1.2770 -1.2277 -1.2277 -0.8415 -0.8415 -0.7291 -0.7291 -0.6309 -0.6309 -0.3365 -0.3365 -0.3010 -0.3010 -0.2205 -0.2205 2.9268 2.9268 2.9422 2.9422 3.0448 3.0448 3.4251 3.4251 7.6658 7.6658 9.6343 9.6343 k = 0.0000 0.0000 0.0919 ( 6803 PWs) bands (ev): -24.1112 -24.1112 -24.0033 -24.0033 -23.9790 -23.9790 -23.9750 -23.9750 -14.0796 -14.0796 -13.9225 -13.9225 -13.5330 -13.5330 -13.5006 -13.5006 -6.7315 -6.7315 -6.4330 -6.4330 -6.2159 -6.2159 -6.0269 -6.0269 -4.9590 -4.9590 -4.8314 -4.8314 -4.5460 -4.5460 -4.3648 -4.3648 -4.2142 -4.2142 -4.1602 -4.1602 -4.0910 -4.0910 -3.9363 -3.9363 -1.2677 -1.2677 -1.2254 -1.2254 -0.8531 -0.8531 -0.7289 -0.7289 -0.6250 -0.6250 -0.3467 -0.3467 -0.3002 -0.3002 -0.2206 -0.2206 2.9240 2.9240 2.9394 2.9394 3.0562 3.0562 3.4221 3.4221 7.7019 7.7019 9.6582 9.6582 k = 0.0000 0.0000 0.1051 ( 6804 PWs) bands (ev): -24.1099 -24.1099 -24.0061 -24.0061 -23.9787 -23.9787 -23.9738 -23.9738 -14.0774 -14.0774 -13.9249 -13.9249 -13.5325 -13.5325 -13.5011 -13.5011 -6.7286 -6.7286 -6.4412 -6.4412 -6.2099 -6.2099 -6.0288 -6.0288 -4.9468 -4.9468 -4.8219 -4.8219 -4.5450 -4.5450 -4.3672 -4.3672 -4.2237 -4.2237 -4.1589 -4.1589 -4.0927 -4.0927 -3.9494 -3.9494 -1.2572 -1.2572 -1.2228 -1.2228 -0.8654 -0.8654 -0.7288 -0.7288 -0.6192 -0.6192 -0.3585 -0.3585 -0.2987 -0.2987 -0.2208 -0.2208 2.9209 2.9209 2.9374 2.9374 3.0679 3.0679 3.4185 3.4185 7.7433 7.7433 9.6855 9.6855 k = 0.0000 0.0000 0.1182 ( 6805 PWs) bands (ev): -24.1085 -24.1085 -24.0090 -24.0090 -23.9783 -23.9783 -23.9727 -23.9727 -14.0749 -14.0749 -13.9275 -13.9275 -13.5319 -13.5319 -13.5016 -13.5016 -6.7252 -6.7252 -6.4500 -6.4500 -6.2037 -6.2037 -6.0308 -6.0308 -4.9331 -4.9331 -4.8111 -4.8111 -4.5438 -4.5438 -4.3697 -4.3697 -4.2344 -4.2344 -4.1574 -4.1574 -4.0945 -4.0945 -3.9641 -3.9641 -1.2455 -1.2455 -1.2197 -1.2197 -0.8782 -0.8782 -0.7288 -0.7288 -0.6138 -0.6138 -0.3718 -0.3718 -0.2968 -0.2968 -0.2210 -0.2210 2.9177 2.9177 2.9359 2.9359 3.0798 3.0798 3.4146 3.4146 7.7897 7.7897 9.7161 9.7161 k = 0.0000 0.0000 0.1313 ( 6801 PWs) bands (ev): -24.1069 -24.1069 -24.0120 -24.0120 -23.9779 -23.9779 -23.9718 -23.9718 -14.0722 -14.0722 -13.9305 -13.9305 -13.5314 -13.5314 -13.5022 -13.5022 -6.7215 -6.7215 -6.4592 -6.4592 -6.1973 -6.1973 -6.0331 -6.0331 -4.9180 -4.9180 -4.7992 -4.7992 -4.5426 -4.5426 -4.3724 -4.3724 -4.2464 -4.2464 -4.1558 -4.1558 -4.0964 -4.0964 -3.9800 -3.9800 -1.2325 -1.2325 -1.2161 -1.2161 -0.8914 -0.8914 -0.7291 -0.7291 -0.6087 -0.6087 -0.3863 -0.3863 -0.2945 -0.2945 -0.2213 -0.2213 2.9147 2.9147 2.9347 2.9347 3.0920 3.0920 3.4101 3.4101 7.8410 7.8410 9.7500 9.7500 k = 0.0000 0.0000 0.1445 ( 6798 PWs) bands (ev): -24.1052 -24.1052 -24.0150 -24.0150 -23.9774 -23.9774 -23.9710 -23.9710 -14.0692 -14.0692 -13.9336 -13.9336 -13.5307 -13.5307 -13.5028 -13.5028 -6.7174 -6.7174 -6.4686 -6.4686 -6.1907 -6.1907 -6.0356 -6.0356 -4.9017 -4.9017 -4.7861 -4.7861 -4.5413 -4.5413 -4.3751 -4.3751 -4.2596 -4.2596 -4.1541 -4.1541 -4.0985 -4.0985 -3.9973 -3.9973 -1.2190 -1.2190 -1.2116 -1.2116 -0.9047 -0.9047 -0.7297 -0.7297 -0.6042 -0.6042 -0.4018 -0.4018 -0.2919 -0.2919 -0.2217 -0.2217 2.9120 2.9120 2.9336 2.9336 3.1043 3.1043 3.4052 3.4052 7.8969 7.8969 9.7868 9.7868 k = 0.0000 0.0000 0.1576 ( 6789 PWs) bands (ev): -24.1033 -24.1033 -24.0181 -24.0181 -23.9769 -23.9769 -23.9703 -23.9703 -14.0660 -14.0660 -13.9371 -13.9371 -13.5300 -13.5300 -13.5035 -13.5035 -6.7129 -6.7129 -6.4784 -6.4784 -6.1841 -6.1841 -6.0384 -6.0384 -4.8842 -4.8842 -4.7720 -4.7720 -4.5400 -4.5400 -4.3779 -4.3779 -4.2740 -4.2740 -4.1524 -4.1524 -4.1007 -4.1007 -4.0155 -4.0155 -1.2097 -1.2097 -1.2014 -1.2014 -0.9182 -0.9182 -0.7308 -0.7308 -0.6001 -0.6001 -0.4180 -0.4180 -0.2890 -0.2890 -0.2222 -0.2222 2.9097 2.9097 2.9325 2.9325 3.1167 3.1167 3.3999 3.3999 7.9574 7.9574 9.8265 9.8265 k = 0.0000 0.0000 0.1707 ( 6793 PWs) bands (ev): -24.1013 -24.1013 -24.0213 -24.0213 -23.9764 -23.9764 -23.9696 -23.9696 -14.0625 -14.0625 -13.9407 -13.9407 -13.5293 -13.5293 -13.5042 -13.5042 -6.7081 -6.7081 -6.4883 -6.4883 -6.1775 -6.1775 -6.0414 -6.0414 -4.8657 -4.8657 -4.7568 -4.7568 -4.5387 -4.5387 -4.3807 -4.3807 -4.2895 -4.2895 -4.1508 -4.1508 -4.1033 -4.1033 -4.0345 -4.0345 -1.2045 -1.2045 -1.1857 -1.1857 -0.9316 -0.9316 -0.7325 -0.7325 -0.5965 -0.5965 -0.4347 -0.4347 -0.2859 -0.2859 -0.2227 -0.2227 2.9079 2.9079 2.9314 2.9314 3.1292 3.1292 3.3942 3.3942 8.0222 8.0222 9.8688 9.8688 k = 0.0000 0.0000 0.1839 ( 6787 PWs) bands (ev): -24.0992 -24.0992 -24.0246 -24.0246 -23.9759 -23.9759 -23.9691 -23.9691 -14.0588 -14.0588 -13.9446 -13.9446 -13.5285 -13.5285 -13.5050 -13.5050 -6.7029 -6.7029 -6.4983 -6.4983 -6.1709 -6.1709 -6.0445 -6.0445 -4.8462 -4.8462 -4.7406 -4.7406 -4.5373 -4.5373 -4.3834 -4.3834 -4.3059 -4.3059 -4.1493 -4.1493 -4.1067 -4.1067 -4.0536 -4.0536 -1.1993 -1.1993 -1.1686 -1.1686 -0.9449 -0.9449 -0.7350 -0.7350 -0.5934 -0.5934 -0.4515 -0.4515 -0.2826 -0.2826 -0.2234 -0.2234 2.9064 2.9064 2.9303 2.9303 3.1418 3.1418 3.3880 3.3880 8.0910 8.0910 9.9134 9.9134 k = 0.0000 0.0000 0.1970 ( 6783 PWs) bands (ev): -24.0969 -24.0969 -24.0278 -24.0278 -23.9754 -23.9754 -23.9687 -23.9687 -14.0549 -14.0549 -13.9487 -13.9487 -13.5277 -13.5277 -13.5058 -13.5058 -6.6974 -6.6974 -6.5084 -6.5084 -6.1643 -6.1643 -6.0479 -6.0479 -4.8258 -4.8258 -4.7236 -4.7236 -4.5360 -4.5360 -4.3860 -4.3860 -4.3232 -4.3232 -4.1484 -4.1484 -4.1115 -4.1115 -4.0716 -4.0716 -1.1938 -1.1938 -1.1506 -1.1506 -0.9580 -0.9580 -0.7386 -0.7386 -0.5908 -0.5908 -0.4682 -0.4682 -0.2792 -0.2792 -0.2242 -0.2242 2.9054 2.9054 2.9291 2.9291 3.1543 3.1543 3.3814 3.3814 8.1637 8.1637 9.9598 9.9598 k = 0.0000 0.0000 0.2101 ( 6778 PWs) bands (ev): -24.0945 -24.0945 -24.0311 -24.0311 -23.9748 -23.9748 -23.9684 -23.9684 -14.0508 -14.0508 -13.9530 -13.9530 -13.5268 -13.5268 -13.5067 -13.5067 -6.6915 -6.6915 -6.5186 -6.5186 -6.1578 -6.1578 -6.0515 -6.0515 -4.8047 -4.8047 -4.7058 -4.7058 -4.5348 -4.5348 -4.3884 -4.3884 -4.3411 -4.3411 -4.1489 -4.1489 -4.1192 -4.1192 -4.0861 -4.0861 -1.1880 -1.1880 -1.1321 -1.1321 -0.9705 -0.9705 -0.7436 -0.7436 -0.5886 -0.5886 -0.4844 -0.4844 -0.2757 -0.2757 -0.2250 -0.2250 2.9047 2.9047 2.9279 2.9279 3.1669 3.1669 3.3744 3.3744 8.2399 8.2399 9.9453 9.9453 k = 0.0000 0.0000 0.2233 ( 6774 PWs) bands (ev): -24.0919 -24.0919 -24.0345 -24.0345 -23.9742 -23.9742 -23.9682 -23.9682 -14.0465 -14.0465 -13.9575 -13.9575 -13.5259 -13.5259 -13.5075 -13.5075 -6.6853 -6.6853 -6.5287 -6.5287 -6.1513 -6.1513 -6.0553 -6.0553 -4.7830 -4.7830 -4.6873 -4.6873 -4.5338 -4.5338 -4.3909 -4.3909 -4.3593 -4.3593 -4.1543 -4.1543 -4.1280 -4.1280 -4.0953 -4.0953 -1.1817 -1.1817 -1.1134 -1.1134 -0.9822 -0.9822 -0.7501 -0.7501 -0.5868 -0.5868 -0.4998 -0.4998 -0.2722 -0.2722 -0.2261 -0.2261 2.9044 2.9044 2.9266 2.9266 3.1793 3.1793 3.3671 3.3671 8.3195 8.3195 9.8886 9.8886 k = 0.0000 0.0000 0.2364 ( 6769 PWs) bands (ev): -24.0893 -24.0893 -24.0379 -24.0379 -23.9736 -23.9736 -23.9680 -23.9680 -14.0421 -14.0421 -13.9621 -13.9621 -13.5250 -13.5250 -13.5085 -13.5085 -6.6788 -6.6788 -6.5389 -6.5389 -6.1449 -6.1449 -6.0593 -6.0593 -4.7607 -4.7607 -4.6684 -4.6684 -4.5330 -4.5330 -4.3948 -4.3948 -4.3760 -4.3760 -4.1689 -4.1689 -4.1320 -4.1320 -4.1005 -4.1005 -1.1749 -1.1749 -1.0952 -1.0952 -0.9924 -0.9924 -0.7584 -0.7584 -0.5854 -0.5854 -0.5140 -0.5140 -0.2686 -0.2686 -0.2273 -0.2273 2.9045 2.9045 2.9252 2.9252 3.1917 3.1917 3.3593 3.3593 8.4020 8.4020 9.8234 9.8234 k = 0.0000 0.0000 0.2495 ( 6766 PWs) bands (ev): -24.0866 -24.0866 -24.0413 -24.0413 -23.9731 -23.9731 -23.9679 -23.9679 -14.0375 -14.0375 -13.9668 -13.9668 -13.5240 -13.5240 -13.5094 -13.5094 -6.6719 -6.6719 -6.5489 -6.5489 -6.1386 -6.1386 -6.0635 -6.0635 -4.7381 -4.7381 -4.6493 -4.6493 -4.5327 -4.5327 -4.4063 -4.4063 -4.3850 -4.3850 -4.1894 -4.1894 -4.1322 -4.1322 -4.1040 -4.1040 -1.1678 -1.1678 -1.0791 -1.0791 -0.9997 -0.9997 -0.7688 -0.7688 -0.5841 -0.5841 -0.5267 -0.5267 -0.2651 -0.2651 -0.2286 -0.2286 2.9048 2.9048 2.9238 2.9238 3.2039 3.2039 3.3511 3.3511 8.4873 8.4873 9.7510 9.7510 k = 0.0000 0.0000 0.2627 ( 6755 PWs) bands (ev): -24.0837 -24.0837 -24.0447 -24.0447 -23.9725 -23.9725 -23.9680 -23.9680 -14.0327 -14.0327 -13.9717 -13.9717 -13.5230 -13.5230 -13.5104 -13.5104 -6.6647 -6.6647 -6.5589 -6.5589 -6.1324 -6.1324 -6.0678 -6.0678 -4.7152 -4.7152 -4.6302 -4.6302 -4.5330 -4.5330 -4.4246 -4.4246 -4.3863 -4.3863 -4.2120 -4.2120 -4.1311 -4.1311 -4.1068 -4.1068 -1.1603 -1.1603 -1.0682 -1.0682 -1.0009 -1.0009 -0.7813 -0.7813 -0.5830 -0.5830 -0.5378 -0.5378 -0.2615 -0.2615 -0.2301 -0.2301 2.9054 2.9054 2.9223 2.9223 3.2161 3.2161 3.3426 3.3426 8.5750 8.5750 9.6726 9.6726 k = 0.0000 0.0000 0.2758 ( 6759 PWs) bands (ev): -24.0808 -24.0808 -24.0481 -24.0481 -23.9719 -23.9719 -23.9681 -23.9681 -14.0279 -14.0279 -13.9767 -13.9767 -13.5220 -13.5220 -13.5114 -13.5114 -6.6572 -6.6572 -6.5688 -6.5688 -6.1263 -6.1263 -6.0724 -6.0724 -4.6921 -4.6921 -4.6117 -4.6117 -4.5341 -4.5341 -4.4447 -4.4447 -4.3846 -4.3846 -4.2352 -4.2352 -4.1295 -4.1295 -4.1092 -4.1092 -1.1523 -1.1523 -1.0657 -1.0657 -0.9930 -0.9930 -0.7959 -0.7959 -0.5820 -0.5820 -0.5472 -0.5472 -0.2581 -0.2581 -0.2318 -0.2318 2.9063 2.9063 2.9208 2.9208 3.2280 3.2280 3.3337 3.3337 8.6649 8.6649 9.5894 9.5894 k = 0.0000 0.0000 0.2889 ( 6767 PWs) bands (ev): -24.0778 -24.0778 -24.0515 -24.0515 -23.9714 -23.9714 -23.9682 -23.9682 -14.0229 -14.0229 -13.9817 -13.9817 -13.5210 -13.5210 -13.5125 -13.5125 -6.6495 -6.6495 -6.5785 -6.5785 -6.1203 -6.1203 -6.0771 -6.0771 -4.6691 -4.6691 -4.5941 -4.5941 -4.5364 -4.5364 -4.4649 -4.4649 -4.3808 -4.3808 -4.2583 -4.2583 -4.1277 -4.1277 -4.1115 -4.1115 -1.1439 -1.1439 -1.0702 -1.0702 -0.9775 -0.9775 -0.8125 -0.8125 -0.5809 -0.5809 -0.5550 -0.5550 -0.2548 -0.2548 -0.2336 -0.2336 2.9073 2.9073 2.9192 2.9192 3.2397 3.2397 3.3245 3.3245 8.7564 8.7564 9.5024 9.5024 k = 0.0000 0.0000 0.3021 ( 6775 PWs) bands (ev): -24.0747 -24.0747 -24.0549 -24.0549 -23.9709 -23.9709 -23.9684 -23.9684 -14.0179 -14.0179 -13.9869 -13.9869 -13.5199 -13.5199 -13.5135 -13.5135 -6.6415 -6.6415 -6.5881 -6.5881 -6.1144 -6.1144 -6.0820 -6.0820 -4.6463 -4.6463 -4.5783 -4.5783 -4.5403 -4.5403 -4.4845 -4.4845 -4.3745 -4.3745 -4.2808 -4.2808 -4.1258 -4.1258 -4.1136 -4.1136 -1.1351 -1.1351 -1.0781 -1.0781 -0.9580 -0.9580 -0.8309 -0.8309 -0.5796 -0.5796 -0.5613 -0.5613 -0.2516 -0.2516 -0.2356 -0.2356 2.9085 2.9085 2.9176 2.9176 3.2513 3.2513 3.3149 3.3149 8.8494 8.8494 9.4125 9.4125 k = 0.0000 0.0000 0.3152 ( 6779 PWs) bands (ev): -24.0715 -24.0715 -24.0583 -24.0583 -23.9704 -23.9704 -23.9687 -23.9687 -14.0128 -14.0128 -13.9920 -13.9920 -13.5189 -13.5189 -13.5146 -13.5146 -6.6332 -6.6332 -6.5975 -6.5975 -6.1087 -6.1087 -6.0870 -6.0870 -4.6240 -4.6240 -4.5668 -4.5668 -4.5446 -4.5446 -4.5024 -4.5024 -4.3656 -4.3656 -4.3021 -4.3021 -4.1238 -4.1238 -4.1157 -4.1157 -1.1260 -1.1260 -1.0874 -1.0874 -0.9368 -0.9368 -0.8506 -0.8506 -0.5781 -0.5781 -0.5664 -0.5664 -0.2485 -0.2485 -0.2378 -0.2378 2.9098 2.9098 2.9160 2.9160 3.2625 3.2625 3.3051 3.3051 8.9434 8.9434 9.3205 9.3205 k = 0.0000 0.0000 0.3283 ( 6771 PWs) bands (ev): -24.0683 -24.0683 -24.0617 -24.0617 -23.9699 -23.9699 -23.9690 -23.9690 -14.0076 -14.0076 -13.9972 -13.9972 -13.5178 -13.5178 -13.5156 -13.5156 -6.6246 -6.6246 -6.6068 -6.6068 -6.1030 -6.1030 -6.0922 -6.0922 -4.6027 -4.6027 -4.5689 -4.5689 -4.5412 -4.5412 -4.5178 -4.5178 -4.3538 -4.3538 -4.3217 -4.3217 -4.1218 -4.1218 -4.1177 -4.1177 -1.1166 -1.1166 -1.0971 -1.0971 -0.9150 -0.9150 -0.8715 -0.8715 -0.5761 -0.5761 -0.5704 -0.5704 -0.2456 -0.2456 -0.2402 -0.2402 2.9113 2.9113 2.9144 2.9144 3.2736 3.2736 3.2949 3.2949 9.0380 9.0380 9.2270 9.2270 k = 0.0000 0.0000 0.3415 ( 6766 PWs) bands (ev): -24.0652 -24.0652 -24.0648 -24.0648 -23.9697 -23.9697 -23.9693 -23.9693 -14.0024 -14.0024 -14.0024 -14.0024 -13.5167 -13.5167 -13.5167 -13.5167 -6.6159 -6.6159 -6.6157 -6.6157 -6.0976 -6.0976 -6.0975 -6.0975 -4.5836 -4.5836 -4.5833 -4.5833 -4.5306 -4.5306 -4.5306 -4.5306 -4.3391 -4.3391 -4.3390 -4.3390 -4.1200 -4.1200 -4.1196 -4.1196 -1.1069 -1.1069 -1.1069 -1.1069 -0.8930 -0.8930 -0.8930 -0.8930 -0.5736 -0.5736 -0.5736 -0.5736 -0.2428 -0.2428 -0.2428 -0.2428 2.9128 2.9128 2.9129 2.9129 3.2843 3.2843 3.2844 3.2844 9.1326 9.1326 9.1327 9.1327 k = 0.0000 0.0000 0.3415 ( 6766 PWs) bands (ev): -24.0652 -24.0652 -24.0648 -24.0648 -23.9697 -23.9697 -23.9693 -23.9693 -14.0024 -14.0024 -14.0024 -14.0024 -13.5167 -13.5167 -13.5167 -13.5167 -6.6159 -6.6159 -6.6157 -6.6157 -6.0976 -6.0976 -6.0975 -6.0975 -4.5836 -4.5836 -4.5833 -4.5833 -4.5306 -4.5306 -4.5306 -4.5306 -4.3391 -4.3391 -4.3390 -4.3390 -4.1200 -4.1200 -4.1196 -4.1196 -1.1069 -1.1069 -1.1069 -1.1069 -0.8930 -0.8930 -0.8930 -0.8930 -0.5736 -0.5736 -0.5736 -0.5736 -0.2428 -0.2428 -0.2428 -0.2428 2.9128 2.9128 2.9129 2.9129 3.2843 3.2843 3.2844 3.2844 9.1326 9.1326 9.1327 9.1327 k = 0.0000 0.0133 0.3415 ( 6772 PWs) bands (ev): -24.0654 -24.0654 -24.0645 -24.0645 -23.9701 -23.9701 -23.9689 -23.9689 -14.0042 -14.0042 -14.0010 -14.0010 -13.5167 -13.5167 -13.5163 -13.5163 -6.6241 -6.6241 -6.6070 -6.6070 -6.1093 -6.1093 -6.0869 -6.0869 -4.5881 -4.5881 -4.5796 -4.5796 -4.5346 -4.5346 -4.5257 -4.5257 -4.3455 -4.3455 -4.3321 -4.3321 -4.1203 -4.1203 -4.1190 -4.1190 -1.1110 -1.1110 -1.1019 -1.1019 -0.9005 -0.9005 -0.8851 -0.8851 -0.5799 -0.5799 -0.5681 -0.5681 -0.2440 -0.2440 -0.2419 -0.2419 2.8851 2.8851 2.9397 2.9397 3.2681 3.2681 3.3003 3.3003 9.1329 9.1329 9.1355 9.1355 k = 0.0000 0.0267 0.3415 ( 6769 PWs) bands (ev): -24.0657 -24.0657 -24.0641 -24.0641 -23.9708 -23.9708 -23.9684 -23.9684 -14.0063 -14.0063 -13.9999 -13.9999 -13.5163 -13.5163 -13.5155 -13.5155 -6.6320 -6.6320 -6.5980 -6.5980 -6.1222 -6.1222 -6.0775 -6.0775 -4.5933 -4.5933 -4.5767 -4.5767 -4.5380 -4.5380 -4.5196 -4.5196 -4.3513 -4.3513 -4.3246 -4.3246 -4.1204 -4.1204 -4.1179 -4.1179 -1.1141 -1.1141 -1.0960 -1.0960 -0.9076 -0.9076 -0.8767 -0.8767 -0.5871 -0.5871 -0.5636 -0.5636 -0.2455 -0.2455 -0.2413 -0.2413 2.8567 2.8567 2.9651 2.9651 3.2519 3.2519 3.3155 3.3155 9.1362 9.1362 9.1410 9.1410 k = 0.0000 0.0400 0.3415 ( 6777 PWs) bands (ev): -24.0660 -24.0660 -24.0635 -24.0635 -23.9715 -23.9715 -23.9680 -23.9680 -14.0087 -14.0087 -13.9992 -13.9992 -13.5155 -13.5155 -13.5143 -13.5143 -6.6394 -6.6394 -6.5886 -6.5886 -6.1361 -6.1361 -6.0694 -6.0694 -4.5987 -4.5987 -4.5747 -4.5747 -4.5411 -4.5411 -4.5126 -4.5126 -4.3562 -4.3562 -4.3169 -4.3169 -4.1202 -4.1202 -4.1165 -4.1165 -1.1163 -1.1163 -1.0892 -1.0892 -0.9141 -0.9141 -0.8680 -0.8680 -0.5952 -0.5952 -0.5599 -0.5599 -0.2473 -0.2473 -0.2411 -0.2411 2.8280 2.8280 2.9886 2.9886 3.2362 3.2362 3.3301 3.3301 9.1427 9.1427 9.1492 9.1492 k = 0.0000 0.0533 0.3415 ( 6777 PWs) bands (ev): -24.0663 -24.0663 -24.0629 -24.0629 -23.9722 -23.9722 -23.9676 -23.9676 -14.0114 -14.0114 -13.9987 -13.9987 -13.5143 -13.5143 -13.5127 -13.5127 -6.6463 -6.6463 -6.5789 -6.5789 -6.1509 -6.1509 -6.0626 -6.0626 -4.6040 -4.6040 -4.5736 -4.5736 -4.5444 -4.5444 -4.5046 -4.5046 -4.3602 -4.3602 -4.3089 -4.3089 -4.1197 -4.1197 -4.1149 -4.1149 -1.1175 -1.1175 -1.0815 -1.0815 -0.9202 -0.9202 -0.8590 -0.8590 -0.6040 -0.6040 -0.5572 -0.5572 -0.2493 -0.2493 -0.2412 -0.2412 2.7992 2.7992 3.0092 3.0092 3.2220 3.2220 3.3437 3.3437 9.1526 9.1526 9.1597 9.1597 k = 0.0000 0.0667 0.3415 ( 6777 PWs) bands (ev): -24.0665 -24.0665 -24.0623 -24.0623 -23.9729 -23.9729 -23.9673 -23.9673 -14.0144 -14.0144 -13.9986 -13.9986 -13.5128 -13.5128 -13.5107 -13.5107 -6.6527 -6.6527 -6.5690 -6.5690 -6.1665 -6.1665 -6.0571 -6.0571 -4.6091 -4.6091 -4.5731 -4.5731 -4.5480 -4.5480 -4.4960 -4.4960 -4.3629 -4.3629 -4.3007 -4.3007 -4.1190 -4.1190 -4.1130 -4.1130 -1.1177 -1.1177 -1.0730 -1.0730 -0.9257 -0.9257 -0.8498 -0.8498 -0.6136 -0.6136 -0.5553 -0.5553 -0.2515 -0.2515 -0.2417 -0.2417 2.7705 2.7705 3.0256 3.0256 3.2104 3.2104 3.3564 3.3564 9.1659 9.1659 9.1722 9.1722 k = 0.0000 0.0800 0.3415 ( 6781 PWs) bands (ev): -24.0667 -24.0667 -24.0615 -24.0615 -23.9737 -23.9737 -23.9670 -23.9670 -14.0176 -14.0176 -13.9987 -13.9987 -13.5110 -13.5110 -13.5085 -13.5085 -6.6584 -6.6584 -6.5591 -6.5591 -6.1827 -6.1827 -6.0529 -6.0529 -4.6138 -4.6138 -4.5732 -4.5732 -4.5521 -4.5521 -4.4869 -4.4869 -4.3645 -4.3645 -4.2923 -4.2923 -4.1180 -4.1180 -4.1109 -4.1109 -1.1170 -1.1170 -1.0637 -1.0637 -0.9307 -0.9307 -0.8404 -0.8404 -0.6238 -0.6238 -0.5544 -0.5544 -0.2538 -0.2538 -0.2426 -0.2426 2.7422 2.7422 3.0362 3.0362 3.2034 3.2034 3.3680 3.3680 9.1827 9.1827 9.1866 9.1866 k = 0.0000 0.0934 0.3415 ( 6782 PWs) bands (ev): -24.0669 -24.0669 -24.0607 -24.0607 -23.9745 -23.9745 -23.9669 -23.9669 -14.0211 -14.0211 -13.9991 -13.9991 -13.5089 -13.5089 -13.5059 -13.5059 -6.6635 -6.6635 -6.5490 -6.5490 -6.1995 -6.1995 -6.0500 -6.0500 -4.6180 -4.6180 -4.5743 -4.5743 -4.5562 -4.5562 -4.4777 -4.4777 -4.3648 -4.3648 -4.2838 -4.2838 -4.1168 -4.1168 -4.1087 -4.1087 -1.1154 -1.1154 -1.0536 -1.0536 -0.9350 -0.9350 -0.8310 -0.8310 -0.6346 -0.6346 -0.5544 -0.5544 -0.2563 -0.2563 -0.2439 -0.2439 2.7145 2.7145 3.0393 3.0393 3.2024 3.2024 3.3787 3.3787 9.2018 9.2018 9.2034 9.2034 k = 0.0000 0.1067 0.3415 ( 6777 PWs) bands (ev): -24.0670 -24.0670 -24.0599 -24.0599 -23.9753 -23.9753 -23.9667 -23.9667 -14.0246 -14.0246 -13.9997 -13.9997 -13.5066 -13.5066 -13.5031 -13.5031 -6.6678 -6.6678 -6.5390 -6.5390 -6.2165 -6.2165 -6.0484 -6.0484 -4.6220 -4.6220 -4.5771 -4.5771 -4.5593 -4.5593 -4.4684 -4.4684 -4.3639 -4.3639 -4.2751 -4.2751 -4.1154 -4.1154 -4.1064 -4.1064 -1.1129 -1.1129 -1.0429 -1.0429 -0.9388 -0.9388 -0.8217 -0.8217 -0.6459 -0.6459 -0.5553 -0.5553 -0.2588 -0.2588 -0.2456 -0.2456 2.6875 2.6875 3.0347 3.0347 3.2077 3.2077 3.3882 3.3882 9.2189 9.2189 9.2268 9.2268 k = 0.0000 0.1200 0.3415 ( 6770 PWs) bands (ev): -24.0672 -24.0672 -24.0589 -24.0589 -23.9761 -23.9761 -23.9667 -23.9667 -14.0284 -14.0284 -14.0005 -14.0005 -13.5041 -13.5041 -13.5001 -13.5001 -6.6715 -6.6715 -6.5292 -6.5292 -6.2336 -6.2336 -6.0480 -6.0480 -4.6256 -4.6256 -4.5821 -4.5821 -4.5607 -4.5607 -4.4592 -4.4592 -4.3619 -4.3619 -4.2662 -4.2662 -4.1140 -4.1140 -4.1041 -4.1041 -1.1096 -1.1096 -1.0316 -1.0316 -0.9419 -0.9419 -0.8127 -0.8127 -0.6573 -0.6573 -0.5570 -0.5570 -0.2615 -0.2615 -0.2477 -0.2477 2.6614 2.6614 3.0239 3.0239 3.2180 3.2180 3.3967 3.3967 9.2363 9.2363 9.2539 9.2539 k = 0.0000 0.1334 0.3415 ( 6772 PWs) bands (ev): -24.0674 -24.0674 -24.0579 -24.0579 -23.9769 -23.9769 -23.9667 -23.9667 -14.0321 -14.0321 -14.0014 -14.0014 -13.5015 -13.5015 -13.4970 -13.4970 -6.6744 -6.6744 -6.5198 -6.5198 -6.2506 -6.2506 -6.0488 -6.0488 -4.6294 -4.6294 -4.5886 -4.5886 -4.5605 -4.5605 -4.4502 -4.4502 -4.3591 -4.3591 -4.2573 -4.2573 -4.1124 -4.1124 -4.1017 -4.1017 -1.1054 -1.1054 -1.0198 -1.0198 -0.9442 -0.9442 -0.8044 -0.8044 -0.6687 -0.6687 -0.5596 -0.5596 -0.2641 -0.2641 -0.2501 -0.2501 2.6364 2.6364 3.0087 3.0087 3.2314 3.2314 3.4041 3.4041 9.2539 9.2539 9.2843 9.2843 k = 0.0000 0.1467 0.3415 ( 6776 PWs) bands (ev): -24.0676 -24.0676 -24.0569 -24.0569 -23.9777 -23.9777 -23.9668 -23.9668 -14.0360 -14.0360 -14.0025 -14.0025 -13.4988 -13.4988 -13.4938 -13.4938 -6.6765 -6.6765 -6.5109 -6.5109 -6.2671 -6.2671 -6.0507 -6.0507 -4.6338 -4.6338 -4.5955 -4.5955 -4.5592 -4.5592 -4.4416 -4.4416 -4.3555 -4.3555 -4.2483 -4.2483 -4.1108 -4.1108 -4.0994 -4.0994 -1.1005 -1.1005 -1.0078 -1.0078 -0.9457 -0.9457 -0.7974 -0.7974 -0.6794 -0.6794 -0.5630 -0.5630 -0.2667 -0.2667 -0.2530 -0.2530 2.6127 2.6127 2.9909 2.9909 3.2465 3.2465 3.4105 3.4105 9.2712 9.2712 9.3179 9.3179 k = 0.0000 0.1600 0.3415 ( 6774 PWs) bands (ev): -24.0679 -24.0679 -24.0558 -24.0558 -23.9784 -23.9784 -23.9670 -23.9670 -14.0398 -14.0398 -14.0035 -14.0035 -13.4961 -13.4961 -13.4905 -13.4905 -6.6778 -6.6778 -6.5029 -6.5029 -6.2827 -6.2827 -6.0537 -6.0537 -4.6396 -4.6396 -4.6014 -4.6014 -4.5572 -4.5572 -4.4335 -4.4335 -4.3515 -4.3515 -4.2392 -4.2392 -4.1092 -4.1092 -4.0972 -4.0972 -1.0950 -1.0950 -0.9957 -0.9957 -0.9460 -0.9460 -0.7923 -0.7923 -0.6887 -0.6887 -0.5672 -0.5672 -0.2693 -0.2693 -0.2562 -0.2562 2.5904 2.5904 2.9714 2.9714 3.2623 3.2623 3.4159 3.4159 9.2874 9.2874 9.3546 9.3546 k = 0.0000 0.1734 0.3415 ( 6770 PWs) bands (ev): -24.0681 -24.0681 -24.0546 -24.0546 -23.9791 -23.9791 -23.9672 -23.9672 -14.0436 -14.0436 -14.0046 -14.0046 -13.4933 -13.4933 -13.4872 -13.4872 -6.6783 -6.6783 -6.4962 -6.4962 -6.2968 -6.2968 -6.0577 -6.0577 -4.6474 -4.6474 -4.6055 -4.6055 -4.5545 -4.5545 -4.4258 -4.4258 -4.3471 -4.3471 -4.2302 -4.2302 -4.1076 -4.1076 -4.0951 -4.0951 -1.0890 -1.0890 -0.9841 -0.9841 -0.9448 -0.9448 -0.7904 -0.7904 -0.6954 -0.6954 -0.5722 -0.5722 -0.2717 -0.2717 -0.2598 -0.2598 2.5697 2.5697 2.9512 2.9512 3.2780 3.2780 3.4203 3.4203 9.3020 9.3020 9.3942 9.3942 k = 0.0000 0.1867 0.3415 ( 6761 PWs) bands (ev): -24.0685 -24.0685 -24.0534 -24.0534 -23.9797 -23.9797 -23.9675 -23.9675 -14.0474 -14.0474 -14.0057 -14.0057 -13.4907 -13.4907 -13.4839 -13.4839 -6.6779 -6.6779 -6.4914 -6.4914 -6.3088 -6.3088 -6.0625 -6.0625 -4.6573 -4.6573 -4.6075 -4.6075 -4.5513 -4.5513 -4.4187 -4.4187 -4.3425 -4.3425 -4.2212 -4.2212 -4.1060 -4.1060 -4.0932 -4.0932 -1.0826 -1.0826 -0.9738 -0.9738 -0.9413 -0.9413 -0.7926 -0.7926 -0.6985 -0.6985 -0.5778 -0.5778 -0.2741 -0.2741 -0.2637 -0.2637 2.5507 2.5507 2.9307 2.9307 3.2934 3.2934 3.4238 3.4238 9.3140 9.3140 9.4364 9.4364 k = 0.0000 0.2001 0.3415 ( 6749 PWs) bands (ev): -24.0688 -24.0688 -24.0521 -24.0521 -23.9803 -23.9803 -23.9678 -23.9678 -14.0510 -14.0510 -14.0067 -14.0067 -13.4881 -13.4881 -13.4808 -13.4808 -6.6765 -6.6765 -6.4892 -6.4892 -6.3180 -6.3180 -6.0682 -6.0682 -4.6688 -4.6688 -4.6079 -4.6079 -4.5475 -4.5475 -4.4122 -4.4122 -4.3379 -4.3379 -4.2123 -4.2123 -4.1045 -4.1045 -4.0915 -4.0915 -1.0759 -1.0759 -0.9658 -0.9658 -0.9346 -0.9346 -0.7991 -0.7991 -0.6978 -0.6978 -0.5839 -0.5839 -0.2762 -0.2762 -0.2679 -0.2679 2.5336 2.5336 2.9101 2.9101 3.3083 3.3083 3.4264 3.4264 9.3224 9.3224 9.4810 9.4810 k = 0.0000 0.2134 0.3415 ( 6750 PWs) bands (ev): -24.0693 -24.0693 -24.0508 -24.0508 -23.9808 -23.9808 -23.9681 -23.9681 -14.0545 -14.0545 -14.0076 -14.0076 -13.4856 -13.4856 -13.4778 -13.4778 -6.6743 -6.6743 -6.4902 -6.4902 -6.3236 -6.3236 -6.0747 -6.0747 -4.6814 -4.6814 -4.6071 -4.6071 -4.5433 -4.5433 -4.4064 -4.4064 -4.3335 -4.3335 -4.2037 -4.2037 -4.1030 -4.1030 -4.0901 -4.0901 -1.0693 -1.0693 -0.9598 -0.9598 -0.9249 -0.9249 -0.8092 -0.8092 -0.6940 -0.6940 -0.5905 -0.5905 -0.2782 -0.2782 -0.2722 -0.2722 2.5185 2.5185 2.8899 2.8899 3.3225 3.3225 3.4281 3.4281 9.3260 9.3260 9.5278 9.5278 k = 0.0000 0.2267 0.3415 ( 6750 PWs) bands (ev): -24.0698 -24.0698 -24.0495 -24.0495 -23.9812 -23.9812 -23.9685 -23.9685 -14.0578 -14.0578 -14.0084 -14.0084 -13.4834 -13.4834 -13.4749 -13.4749 -6.6712 -6.6712 -6.4946 -6.4946 -6.3254 -6.3254 -6.0818 -6.0818 -4.6946 -4.6946 -4.6054 -4.6054 -4.5387 -4.5387 -4.4012 -4.4012 -4.3292 -4.3292 -4.1953 -4.1953 -4.1015 -4.1015 -4.0889 -4.0889 -1.0628 -1.0628 -0.9549 -0.9549 -0.9135 -0.9135 -0.8215 -0.8215 -0.6882 -0.6882 -0.5975 -0.5975 -0.2804 -0.2804 -0.2764 -0.2764 2.5054 2.5054 2.8703 2.8703 3.3359 3.3359 3.4290 3.4290 9.3235 9.3235 9.5764 9.5764 k = 0.0000 0.2401 0.3415 ( 6752 PWs) bands (ev): -24.0704 -24.0704 -24.0481 -24.0481 -23.9816 -23.9816 -23.9690 -23.9690 -14.0609 -14.0609 -14.0091 -14.0091 -13.4813 -13.4813 -13.4723 -13.4723 -6.6671 -6.6671 -6.5022 -6.5022 -6.3234 -6.3234 -6.0895 -6.0895 -4.7082 -4.7082 -4.6031 -4.6031 -4.5338 -4.5338 -4.3967 -4.3967 -4.3252 -4.3252 -4.1874 -4.1874 -4.1000 -4.1000 -4.0881 -4.0881 -1.0568 -1.0568 -0.9500 -0.9500 -0.9020 -0.9020 -0.8345 -0.8345 -0.6816 -0.6816 -0.6044 -0.6044 -0.2838 -0.2838 -0.2793 -0.2793 2.4945 2.4945 2.8514 2.8514 3.3486 3.3486 3.4291 3.4291 9.3138 9.3138 9.6265 9.6265 k = 0.0000 0.2534 0.3415 ( 6751 PWs) bands (ev): -24.0710 -24.0710 -24.0467 -24.0467 -23.9819 -23.9819 -23.9695 -23.9695 -14.0638 -14.0638 -14.0095 -14.0095 -13.4795 -13.4795 -13.4699 -13.4699 -6.6621 -6.6621 -6.5124 -6.5124 -6.3182 -6.3182 -6.0978 -6.0978 -4.7220 -4.7220 -4.6003 -4.6003 -4.5285 -4.5285 -4.3928 -4.3928 -4.3217 -4.3217 -4.1798 -4.1798 -4.0985 -4.0985 -4.0875 -4.0875 -1.0515 -1.0515 -0.9447 -0.9447 -0.8924 -0.8924 -0.8460 -0.8460 -0.6751 -0.6751 -0.6109 -0.6109 -0.2885 -0.2885 -0.2807 -0.2807 2.4859 2.4859 2.8334 2.8334 3.3604 3.3604 3.4284 3.4284 9.2960 9.2960 9.6776 9.6776 k = 0.0000 0.2667 0.3415 ( 6753 PWs) bands (ev): -24.0718 -24.0718 -24.0452 -24.0452 -23.9820 -23.9820 -23.9700 -23.9700 -14.0664 -14.0664 -14.0098 -14.0098 -13.4780 -13.4780 -13.4678 -13.4678 -6.6562 -6.6562 -6.5245 -6.5245 -6.3104 -6.3104 -6.1065 -6.1065 -4.7357 -4.7357 -4.5973 -4.5973 -4.5230 -4.5230 -4.3896 -4.3896 -4.3185 -4.3185 -4.1728 -4.1728 -4.0970 -4.0970 -4.0872 -4.0872 -1.0470 -1.0470 -0.9393 -0.9393 -0.8894 -0.8894 -0.8508 -0.8508 -0.6697 -0.6697 -0.6162 -0.6162 -0.2936 -0.2936 -0.2813 -0.2813 2.4795 2.4795 2.8164 2.8164 3.3715 3.3715 3.4270 3.4270 9.2701 9.2701 9.7293 9.7293 k = 0.0000 0.2667 0.3415 ( 6753 PWs) bands (ev): -24.0718 -24.0718 -24.0452 -24.0452 -23.9820 -23.9820 -23.9700 -23.9700 -14.0664 -14.0664 -14.0098 -14.0098 -13.4780 -13.4780 -13.4678 -13.4678 -6.6562 -6.6562 -6.5245 -6.5245 -6.3104 -6.3104 -6.1065 -6.1065 -4.7357 -4.7357 -4.5973 -4.5973 -4.5230 -4.5230 -4.3896 -4.3896 -4.3185 -4.3185 -4.1728 -4.1728 -4.0970 -4.0970 -4.0872 -4.0872 -1.0470 -1.0470 -0.9393 -0.9393 -0.8894 -0.8894 -0.8508 -0.8508 -0.6697 -0.6697 -0.6162 -0.6162 -0.2936 -0.2936 -0.2813 -0.2813 2.4795 2.4795 2.8164 2.8164 3.3715 3.3715 3.4270 3.4270 9.2701 9.2701 9.7293 9.7293 k = 0.0000 0.2741 0.3319 ( 6752 PWs) bands (ev): -24.0702 -24.0702 -24.0467 -24.0467 -23.9816 -23.9816 -23.9706 -23.9706 -14.0641 -14.0641 -14.0135 -14.0135 -13.4766 -13.4766 -13.4675 -13.4675 -6.6537 -6.6537 -6.5333 -6.5333 -6.2997 -6.2997 -6.1144 -6.1144 -4.7287 -4.7287 -4.5797 -4.5797 -4.5367 -4.5367 -4.3911 -4.3911 -4.3135 -4.3135 -4.1842 -4.1842 -4.0968 -4.0968 -4.0877 -4.0877 -1.0381 -1.0381 -0.9308 -0.9308 -0.8849 -0.8849 -0.8452 -0.8452 -0.6830 -0.6830 -0.6273 -0.6273 -0.2950 -0.2950 -0.2842 -0.2842 2.4905 2.4905 2.7942 2.7942 3.3776 3.3776 3.4275 3.4275 9.3091 9.3091 9.7066 9.7066 k = 0.0000 0.2815 0.3223 ( 6750 PWs) bands (ev): -24.0686 -24.0686 -24.0481 -24.0481 -23.9811 -23.9811 -23.9713 -23.9713 -14.0617 -14.0617 -14.0173 -14.0173 -13.4753 -13.4753 -13.4673 -13.4673 -6.6504 -6.6504 -6.5428 -6.5428 -6.2881 -6.2881 -6.1229 -6.1229 -4.7211 -4.7211 -4.5669 -4.5669 -4.5458 -4.5458 -4.3935 -4.3935 -4.3084 -4.3084 -4.1958 -4.1958 -4.0964 -4.0964 -4.0881 -4.0881 -1.0293 -1.0293 -0.9248 -0.9248 -0.8829 -0.8829 -0.8346 -0.8346 -0.6964 -0.6964 -0.6385 -0.6385 -0.2963 -0.2963 -0.2868 -0.2868 2.5028 2.5028 2.7718 2.7718 3.3834 3.3834 3.4275 3.4275 9.3442 9.3442 9.6838 9.6838 k = 0.0000 0.2888 0.3127 ( 6747 PWs) bands (ev): -24.0670 -24.0670 -24.0495 -24.0495 -23.9805 -23.9805 -23.9720 -23.9720 -14.0592 -14.0592 -14.0210 -14.0210 -13.4740 -13.4740 -13.4672 -13.4672 -6.6464 -6.6464 -6.5526 -6.5526 -6.2758 -6.2758 -6.1321 -6.1321 -4.7128 -4.7128 -4.5721 -4.5721 -4.5370 -4.5370 -4.3970 -4.3970 -4.3031 -4.3031 -4.2072 -4.2072 -4.0960 -4.0960 -4.0884 -4.0884 -1.0205 -1.0205 -0.9232 -0.9232 -0.8786 -0.8786 -0.8221 -0.8221 -0.7096 -0.7096 -0.6498 -0.6498 -0.2974 -0.2974 -0.2893 -0.2893 2.5163 2.5163 2.7493 2.7493 3.3890 3.3890 3.4270 3.4270 9.3758 9.3758 9.6611 9.6611 k = 0.0000 0.2962 0.3031 ( 6742 PWs) bands (ev): -24.0655 -24.0655 -24.0509 -24.0509 -23.9799 -23.9799 -23.9727 -23.9727 -14.0565 -14.0565 -14.0246 -14.0246 -13.4729 -13.4729 -13.4672 -13.4672 -6.6417 -6.6417 -6.5625 -6.5625 -6.2631 -6.2631 -6.1420 -6.1420 -4.7039 -4.7039 -4.5849 -4.5849 -4.5209 -4.5209 -4.4017 -4.4017 -4.2977 -4.2977 -4.2184 -4.2184 -4.0954 -4.0954 -4.0889 -4.0889 -1.0117 -1.0117 -0.9263 -0.9263 -0.8705 -0.8705 -0.8095 -0.8095 -0.7221 -0.7221 -0.6614 -0.6614 -0.2984 -0.2984 -0.2916 -0.2916 2.5311 2.5311 2.7270 2.7270 3.3944 3.3944 3.4262 3.4262 9.4046 9.4046 9.6383 9.6383 k = 0.0000 0.3035 0.2934 ( 6742 PWs) bands (ev): -24.0640 -24.0640 -24.0524 -24.0524 -23.9793 -23.9793 -23.9735 -23.9735 -14.0538 -14.0538 -14.0281 -14.0281 -13.4718 -13.4718 -13.4673 -13.4673 -6.6363 -6.6363 -6.5723 -6.5723 -6.2502 -6.2502 -6.1524 -6.1524 -4.6944 -4.6944 -4.5984 -4.5984 -4.5044 -4.5044 -4.4077 -4.4077 -4.2921 -4.2921 -4.2291 -4.2291 -4.0948 -4.0948 -4.0894 -4.0894 -1.0027 -1.0027 -0.9324 -0.9324 -0.8597 -0.8597 -0.7983 -0.7983 -0.7330 -0.7330 -0.6732 -0.6732 -0.2991 -0.2991 -0.2936 -0.2936 2.5469 2.5469 2.7048 2.7048 3.3993 3.3993 3.4249 3.4249 9.4312 9.4312 9.6157 9.6157 k = 0.0000 0.3109 0.2838 ( 6750 PWs) bands (ev): -24.0625 -24.0625 -24.0538 -24.0538 -23.9786 -23.9786 -23.9742 -23.9742 -14.0509 -14.0509 -14.0317 -14.0317 -13.4709 -13.4709 -13.4675 -13.4675 -6.6302 -6.6302 -6.5818 -6.5818 -6.2373 -6.2373 -6.1634 -6.1634 -4.6842 -4.6842 -4.6119 -4.6119 -4.4884 -4.4884 -4.4151 -4.4151 -4.2861 -4.2861 -4.2393 -4.2393 -4.0941 -4.0941 -4.0899 -4.0899 -0.9937 -0.9937 -0.9400 -0.9400 -0.8477 -0.8477 -0.7912 -0.7912 -0.7399 -0.7399 -0.6853 -0.6853 -0.2995 -0.2995 -0.2954 -0.2954 2.5639 2.5639 2.6829 2.6829 3.4039 3.4039 3.4232 3.4232 9.4563 9.4563 9.5932 9.5932 k = 0.0000 0.3182 0.2742 ( 6755 PWs) bands (ev): -24.0610 -24.0610 -24.0552 -24.0552 -23.9779 -23.9779 -23.9750 -23.9750 -14.0479 -14.0479 -14.0351 -14.0351 -13.4701 -13.4701 -13.4678 -13.4678 -6.6235 -6.6235 -6.5911 -6.5911 -6.2243 -6.2243 -6.1748 -6.1748 -4.6735 -4.6735 -4.6251 -4.6251 -4.4732 -4.4732 -4.4240 -4.4240 -4.2798 -4.2798 -4.2487 -4.2487 -4.0934 -4.0934 -4.0906 -4.0906 -0.9846 -0.9846 -0.9485 -0.9485 -0.8350 -0.8350 -0.7915 -0.7915 -0.7395 -0.7395 -0.6975 -0.6975 -0.2996 -0.2996 -0.2969 -0.2969 2.5818 2.5818 2.6615 2.6615 3.4082 3.4082 3.4210 3.4210 9.4801 9.4801 9.5708 9.5708 k = 0.0000 0.3256 0.2646 ( 6754 PWs) bands (ev): -24.0596 -24.0596 -24.0566 -24.0566 -23.9772 -23.9772 -23.9757 -23.9757 -14.0449 -14.0449 -14.0384 -14.0384 -13.4693 -13.4693 -13.4682 -13.4682 -6.6162 -6.6162 -6.6000 -6.6000 -6.2115 -6.2115 -6.1867 -6.1867 -4.6622 -4.6622 -4.6379 -4.6379 -4.4590 -4.4590 -4.4342 -4.4342 -4.2730 -4.2730 -4.2575 -4.2575 -4.0927 -4.0927 -4.0912 -4.0912 -0.9755 -0.9755 -0.9573 -0.9573 -0.8222 -0.8222 -0.7989 -0.7989 -0.7322 -0.7322 -0.7097 -0.7097 -0.2994 -0.2994 -0.2981 -0.2981 2.6006 2.6006 2.6405 2.6405 3.4120 3.4120 3.4184 3.4184 9.5033 9.5033 9.5484 9.5484 k = 0.0000 0.3329 0.2550 ( 6752 PWs) bands (ev): -24.0583 -24.0583 -24.0578 -24.0578 -23.9767 -23.9767 -23.9762 -23.9762 -14.0417 -14.0417 -14.0417 -14.0417 -13.4687 -13.4687 -13.4687 -13.4687 -6.6084 -6.6084 -6.6083 -6.6083 -6.1991 -6.1991 -6.1989 -6.1989 -4.6504 -4.6504 -4.6502 -4.6502 -4.4460 -4.4460 -4.4459 -4.4459 -4.2656 -4.2656 -4.2655 -4.2655 -4.0921 -4.0921 -4.0917 -4.0917 -0.9664 -0.9664 -0.9663 -0.9663 -0.8099 -0.8099 -0.8099 -0.8099 -0.7216 -0.7216 -0.7215 -0.7215 -0.2989 -0.2989 -0.2989 -0.2989 2.6202 2.6202 2.6202 2.6202 3.4154 3.4154 3.4155 3.4155 9.5260 9.5260 9.5260 9.5260 k = 0.0000 0.3329 0.2550 ( 6752 PWs) bands (ev): -24.0583 -24.0583 -24.0578 -24.0578 -23.9767 -23.9767 -23.9762 -23.9762 -14.0417 -14.0417 -14.0417 -14.0417 -13.4687 -13.4687 -13.4687 -13.4687 -6.6084 -6.6084 -6.6083 -6.6083 -6.1991 -6.1991 -6.1989 -6.1989 -4.6504 -4.6504 -4.6502 -4.6502 -4.4460 -4.4460 -4.4459 -4.4459 -4.2656 -4.2656 -4.2655 -4.2655 -4.0921 -4.0921 -4.0917 -4.0917 -0.9664 -0.9664 -0.9663 -0.9663 -0.8099 -0.8099 -0.8099 -0.8099 -0.7216 -0.7216 -0.7215 -0.7215 -0.2989 -0.2989 -0.2989 -0.2989 2.6202 2.6202 2.6202 2.6202 3.4154 3.4154 3.4155 3.4155 9.5260 9.5260 9.5260 9.5260 k = 0.0135 0.3329 0.2550 ( 6750 PWs) bands (ev): -24.0583 -24.0583 -24.0578 -24.0578 -23.9767 -23.9767 -23.9762 -23.9762 -14.0415 -14.0415 -14.0415 -14.0415 -13.4690 -13.4690 -13.4690 -13.4690 -6.6083 -6.6083 -6.6081 -6.6081 -6.1990 -6.1990 -6.1988 -6.1988 -4.6503 -4.6503 -4.6501 -4.6501 -4.4470 -4.4470 -4.4462 -4.4462 -4.2661 -4.2661 -4.2654 -4.2654 -4.0930 -4.0930 -4.0914 -4.0914 -0.9669 -0.9669 -0.9651 -0.9651 -0.8113 -0.8113 -0.8085 -0.8085 -0.7214 -0.7214 -0.7209 -0.7209 -0.2992 -0.2992 -0.2988 -0.2988 2.6212 2.6212 2.6213 2.6213 3.4149 3.4149 3.4151 3.4151 9.5258 9.5258 9.5262 9.5262 k = 0.0270 0.3329 0.2550 ( 6750 PWs) bands (ev): -24.0581 -24.0581 -24.0576 -24.0576 -23.9768 -23.9768 -23.9763 -23.9763 -14.0410 -14.0410 -14.0410 -14.0410 -13.4701 -13.4701 -13.4701 -13.4701 -6.6077 -6.6077 -6.6075 -6.6075 -6.1988 -6.1988 -6.1986 -6.1986 -4.6500 -4.6500 -4.6497 -4.6497 -4.4492 -4.4492 -4.4476 -4.4476 -4.2671 -4.2671 -4.2656 -4.2656 -4.0946 -4.0946 -4.0913 -4.0913 -0.9667 -0.9667 -0.9630 -0.9630 -0.8127 -0.8127 -0.8071 -0.8071 -0.7205 -0.7205 -0.7195 -0.7195 -0.2997 -0.2997 -0.2989 -0.2989 2.6245 2.6245 2.6245 2.6245 3.4137 3.4137 3.4140 3.4140 9.5256 9.5256 9.5264 9.5264 k = 0.0405 0.3329 0.2550 ( 6750 PWs) bands (ev): -24.0578 -24.0578 -24.0574 -24.0574 -23.9769 -23.9769 -23.9764 -23.9764 -14.0401 -14.0401 -14.0401 -14.0401 -13.4718 -13.4718 -13.4718 -13.4718 -6.6068 -6.6068 -6.6065 -6.6065 -6.1985 -6.1985 -6.1982 -6.1982 -4.6495 -4.6495 -4.6492 -4.6492 -4.4527 -4.4527 -4.4502 -4.4502 -4.2685 -4.2685 -4.2662 -4.2662 -4.0967 -4.0967 -4.0918 -4.0918 -0.9657 -0.9657 -0.9602 -0.9602 -0.8141 -0.8141 -0.8058 -0.8058 -0.7187 -0.7187 -0.7174 -0.7174 -0.3005 -0.3005 -0.2993 -0.2993 2.6299 2.6299 2.6299 2.6299 3.4116 3.4116 3.4122 3.4122 9.5254 9.5254 9.5265 9.5265 k = 0.0541 0.3329 0.2550 ( 6752 PWs) bands (ev): -24.0575 -24.0575 -24.0570 -24.0570 -23.9770 -23.9770 -23.9765 -23.9765 -14.0389 -14.0389 -14.0389 -14.0389 -13.4742 -13.4742 -13.4742 -13.4742 -6.6055 -6.6055 -6.6051 -6.6051 -6.1980 -6.1980 -6.1978 -6.1978 -4.6488 -4.6488 -4.6484 -4.6484 -4.4573 -4.4573 -4.4540 -4.4540 -4.2703 -4.2703 -4.2672 -4.2672 -4.0993 -4.0993 -4.0928 -4.0928 -0.9642 -0.9642 -0.9567 -0.9567 -0.8154 -0.8154 -0.8046 -0.8046 -0.7161 -0.7161 -0.7146 -0.7146 -0.3014 -0.3014 -0.2998 -0.2998 2.6373 2.6373 2.6373 2.6373 3.4088 3.4088 3.4095 3.4095 9.5252 9.5252 9.5266 9.5266 k = 0.0676 0.3329 0.2550 ( 6756 PWs) bands (ev): -24.0570 -24.0570 -24.0565 -24.0565 -23.9772 -23.9772 -23.9767 -23.9767 -14.0373 -14.0373 -14.0373 -14.0373 -13.4773 -13.4773 -13.4773 -13.4773 -6.6038 -6.6038 -6.6033 -6.6033 -6.1975 -6.1975 -6.1972 -6.1972 -4.6479 -4.6479 -4.6475 -4.6475 -4.4630 -4.4630 -4.4590 -4.4590 -4.2724 -4.2724 -4.2686 -4.2686 -4.1023 -4.1023 -4.0942 -4.0942 -0.9620 -0.9620 -0.9526 -0.9526 -0.8167 -0.8167 -0.8034 -0.8034 -0.7126 -0.7126 -0.7110 -0.7110 -0.3026 -0.3026 -0.3006 -0.3006 2.6467 2.6467 2.6468 2.6468 3.4052 3.4052 3.4062 3.4062 9.5247 9.5247 9.5266 9.5266 k = 0.0811 0.3329 0.2550 ( 6766 PWs) bands (ev): -24.0564 -24.0564 -24.0559 -24.0559 -23.9774 -23.9774 -23.9769 -23.9769 -14.0354 -14.0354 -14.0354 -14.0354 -13.4810 -13.4810 -13.4810 -13.4810 -6.6017 -6.6017 -6.6011 -6.6011 -6.1968 -6.1968 -6.1965 -6.1965 -4.6469 -4.6469 -4.6464 -4.6464 -4.4699 -4.4699 -4.4650 -4.4650 -4.2750 -4.2750 -4.2703 -4.2703 -4.1057 -4.1057 -4.0960 -4.0960 -0.9593 -0.9593 -0.9479 -0.9479 -0.8178 -0.8178 -0.8022 -0.8022 -0.7081 -0.7081 -0.7068 -0.7068 -0.3039 -0.3039 -0.3015 -0.3015 2.6581 2.6581 2.6581 2.6581 3.4010 3.4010 3.4021 3.4021 9.5241 9.5241 9.5263 9.5263 k = 0.0946 0.3329 0.2550 ( 6770 PWs) bands (ev): -24.0557 -24.0557 -24.0552 -24.0552 -23.9776 -23.9776 -23.9772 -23.9772 -14.0332 -14.0332 -14.0331 -14.0331 -13.4854 -13.4854 -13.4854 -13.4854 -6.5992 -6.5992 -6.5986 -6.5986 -6.1961 -6.1961 -6.1957 -6.1957 -4.6459 -4.6459 -4.6452 -4.6452 -4.4777 -4.4777 -4.4721 -4.4721 -4.2779 -4.2779 -4.2724 -4.2724 -4.1096 -4.1096 -4.0983 -4.0983 -0.9562 -0.9562 -0.9427 -0.9427 -0.8188 -0.8188 -0.8010 -0.8010 -0.7027 -0.7027 -0.7018 -0.7018 -0.3054 -0.3054 -0.3026 -0.3026 2.6712 2.6712 2.6712 2.6712 3.3962 3.3962 3.3975 3.3975 9.5232 9.5232 9.5256 9.5256 k = 0.1081 0.3329 0.2550 ( 6770 PWs) bands (ev): -24.0549 -24.0549 -24.0545 -24.0545 -23.9779 -23.9779 -23.9775 -23.9775 -14.0305 -14.0305 -14.0305 -14.0305 -13.4904 -13.4904 -13.4904 -13.4904 -6.5962 -6.5962 -6.5956 -6.5956 -6.1952 -6.1952 -6.1949 -6.1949 -4.6449 -4.6449 -4.6441 -4.6441 -4.4865 -4.4865 -4.4800 -4.4800 -4.2811 -4.2811 -4.2749 -4.2749 -4.1137 -4.1137 -4.1008 -4.1008 -0.9527 -0.9527 -0.9371 -0.9371 -0.8197 -0.8197 -0.7998 -0.7998 -0.6963 -0.6963 -0.6960 -0.6960 -0.3072 -0.3072 -0.3039 -0.3039 2.6860 2.6860 2.6861 2.6861 3.3908 3.3908 3.3922 3.3922 9.5218 9.5218 9.5246 9.5246 k = 0.1216 0.3329 0.2550 ( 6776 PWs) bands (ev): -24.0541 -24.0541 -24.0536 -24.0536 -23.9783 -23.9783 -23.9778 -23.9778 -14.0276 -14.0276 -14.0276 -14.0276 -13.4961 -13.4961 -13.4960 -13.4960 -6.5929 -6.5929 -6.5922 -6.5922 -6.1944 -6.1944 -6.1940 -6.1940 -4.6441 -4.6441 -4.6430 -4.6430 -4.4961 -4.4961 -4.4887 -4.4887 -4.2848 -4.2848 -4.2778 -4.2778 -4.1180 -4.1180 -4.1037 -4.1037 -0.9491 -0.9491 -0.9312 -0.9312 -0.8204 -0.8204 -0.7986 -0.7986 -0.6895 -0.6895 -0.6890 -0.6890 -0.3090 -0.3090 -0.3053 -0.3053 2.7023 2.7023 2.7024 2.7024 3.3849 3.3849 3.3865 3.3865 9.5200 9.5200 9.5230 9.5230 k = 0.1351 0.3329 0.2550 ( 6774 PWs) bands (ev): -24.0531 -24.0531 -24.0526 -24.0526 -23.9786 -23.9786 -23.9782 -23.9782 -14.0243 -14.0243 -14.0243 -14.0243 -13.5023 -13.5023 -13.5023 -13.5023 -6.5892 -6.5892 -6.5884 -6.5884 -6.1935 -6.1935 -6.1930 -6.1930 -4.6434 -4.6434 -4.6421 -4.6421 -4.5063 -4.5063 -4.4980 -4.4980 -4.2887 -4.2887 -4.2810 -4.2810 -4.1226 -4.1226 -4.1068 -4.1068 -0.9453 -0.9453 -0.9252 -0.9252 -0.8209 -0.8209 -0.7971 -0.7971 -0.6822 -0.6822 -0.6808 -0.6808 -0.3111 -0.3111 -0.3069 -0.3069 2.7200 2.7200 2.7201 2.7201 3.3786 3.3786 3.3803 3.3803 9.5176 9.5176 9.5209 9.5209 k = 0.1486 0.3329 0.2550 ( 6776 PWs) bands (ev): -24.0520 -24.0520 -24.0515 -24.0515 -23.9791 -23.9791 -23.9786 -23.9786 -14.0206 -14.0206 -14.0206 -14.0206 -13.5091 -13.5091 -13.5091 -13.5091 -6.5850 -6.5850 -6.5842 -6.5842 -6.1925 -6.1925 -6.1921 -6.1921 -4.6431 -4.6431 -4.6415 -4.6415 -4.5170 -4.5170 -4.5077 -4.5077 -4.2929 -4.2929 -4.2847 -4.2847 -4.1272 -4.1272 -4.1100 -4.1100 -0.9415 -0.9415 -0.9190 -0.9190 -0.8212 -0.8212 -0.7955 -0.7955 -0.6741 -0.6741 -0.6717 -0.6717 -0.3133 -0.3133 -0.3086 -0.3086 2.7388 2.7388 2.7390 2.7390 3.3719 3.3719 3.3737 3.3737 9.5146 9.5146 9.5180 9.5180 k = 0.1622 0.3329 0.2550 ( 6780 PWs) bands (ev): -24.0509 -24.0509 -24.0504 -24.0504 -23.9795 -23.9795 -23.9790 -23.9790 -14.0166 -14.0166 -14.0166 -14.0166 -13.5164 -13.5164 -13.5164 -13.5164 -6.5804 -6.5804 -6.5796 -6.5796 -6.1917 -6.1917 -6.1912 -6.1912 -4.6435 -4.6435 -4.6414 -4.6414 -4.5279 -4.5279 -4.5176 -4.5176 -4.2974 -4.2974 -4.2887 -4.2887 -4.1319 -4.1319 -4.1134 -4.1134 -0.9378 -0.9378 -0.9130 -0.9130 -0.8212 -0.8212 -0.7937 -0.7937 -0.6652 -0.6652 -0.6618 -0.6618 -0.3156 -0.3156 -0.3104 -0.3104 2.7588 2.7588 2.7590 2.7590 3.3649 3.3649 3.3669 3.3669 9.5109 9.5109 9.5145 9.5145 k = 0.1757 0.3329 0.2550 ( 6784 PWs) bands (ev): -24.0496 -24.0496 -24.0491 -24.0491 -23.9800 -23.9800 -23.9795 -23.9795 -14.0123 -14.0123 -14.0122 -14.0122 -13.5243 -13.5243 -13.5243 -13.5243 -6.5754 -6.5754 -6.5745 -6.5745 -6.1908 -6.1908 -6.1904 -6.1904 -4.6446 -4.6446 -4.6421 -4.6421 -4.5388 -4.5388 -4.5273 -4.5273 -4.3022 -4.3022 -4.2930 -4.2930 -4.1366 -4.1366 -4.1169 -4.1169 -0.9343 -0.9343 -0.9071 -0.9071 -0.8210 -0.8210 -0.7916 -0.7916 -0.6556 -0.6556 -0.6511 -0.6511 -0.3180 -0.3180 -0.3123 -0.3123 2.7795 2.7795 2.7799 2.7799 3.3576 3.3576 3.3598 3.3598 9.5065 9.5065 9.5102 9.5102 k = 0.1892 0.3329 0.2550 ( 6778 PWs) bands (ev): -24.0483 -24.0483 -24.0478 -24.0478 -23.9806 -23.9806 -23.9801 -23.9801 -14.0076 -14.0076 -14.0075 -14.0075 -13.5327 -13.5327 -13.5327 -13.5327 -6.5700 -6.5700 -6.5690 -6.5690 -6.1901 -6.1901 -6.1897 -6.1897 -4.6468 -4.6468 -4.6438 -4.6438 -4.5493 -4.5493 -4.5366 -4.5366 -4.3071 -4.3071 -4.2977 -4.2977 -4.1412 -4.1412 -4.1205 -4.1205 -0.9310 -0.9310 -0.9015 -0.9015 -0.8204 -0.8204 -0.7891 -0.7891 -0.6454 -0.6454 -0.6397 -0.6397 -0.3205 -0.3205 -0.3143 -0.3143 2.8010 2.8010 2.8014 2.8014 3.3502 3.3502 3.3525 3.3525 9.5014 9.5014 9.5052 9.5052 k = 0.2027 0.3329 0.2550 ( 6780 PWs) bands (ev): -24.0469 -24.0469 -24.0464 -24.0464 -23.9812 -23.9812 -23.9807 -23.9807 -14.0025 -14.0025 -14.0025 -14.0025 -13.5415 -13.5415 -13.5415 -13.5415 -6.5641 -6.5641 -6.5632 -6.5632 -6.1895 -6.1895 -6.1891 -6.1891 -4.6503 -4.6503 -4.6469 -4.6469 -4.5590 -4.5590 -4.5452 -4.5452 -4.3121 -4.3121 -4.3026 -4.3026 -4.1457 -4.1457 -4.1240 -4.1240 -0.9280 -0.9280 -0.8963 -0.8963 -0.8195 -0.8195 -0.7864 -0.7864 -0.6345 -0.6345 -0.6277 -0.6277 -0.3232 -0.3232 -0.3163 -0.3163 2.8230 2.8230 2.8235 2.8235 3.3428 3.3428 3.3452 3.3452 9.4957 9.4957 9.4995 9.4995 k = 0.2162 0.3329 0.2550 ( 6782 PWs) bands (ev): -24.0455 -24.0455 -24.0450 -24.0450 -23.9818 -23.9818 -23.9814 -23.9814 -13.9972 -13.9972 -13.9971 -13.9971 -13.5508 -13.5508 -13.5508 -13.5508 -6.5578 -6.5578 -6.5568 -6.5568 -6.1890 -6.1890 -6.1886 -6.1886 -4.6555 -4.6555 -4.6517 -4.6517 -4.5676 -4.5676 -4.5527 -4.5527 -4.3172 -4.3172 -4.3078 -4.3078 -4.1500 -4.1500 -4.1275 -4.1275 -0.9253 -0.9253 -0.8916 -0.8916 -0.8181 -0.8181 -0.7833 -0.7833 -0.6230 -0.6230 -0.6152 -0.6152 -0.3258 -0.3258 -0.3184 -0.3184 2.8453 2.8453 2.8459 2.8459 3.3353 3.3353 3.3378 3.3378 9.4893 9.4893 9.4931 9.4931 k = 0.2297 0.3329 0.2550 ( 6786 PWs) bands (ev): -24.0439 -24.0439 -24.0435 -24.0435 -23.9825 -23.9825 -23.9821 -23.9821 -13.9914 -13.9914 -13.9914 -13.9914 -13.5605 -13.5605 -13.5605 -13.5605 -6.5511 -6.5511 -6.5501 -6.5501 -6.1888 -6.1888 -6.1884 -6.1884 -4.6622 -4.6622 -4.6584 -4.6584 -4.5748 -4.5748 -4.5590 -4.5590 -4.3222 -4.3222 -4.3131 -4.3131 -4.1541 -4.1541 -4.1310 -4.1310 -0.9230 -0.9230 -0.8874 -0.8874 -0.8162 -0.8162 -0.7799 -0.7799 -0.6111 -0.6111 -0.6023 -0.6023 -0.3285 -0.3285 -0.3204 -0.3204 2.8677 2.8677 2.8685 2.8685 3.3279 3.3279 3.3304 3.3304 9.4824 9.4824 9.4862 9.4862 k = 0.2432 0.3329 0.2550 ( 6788 PWs) bands (ev): -24.0424 -24.0424 -24.0419 -24.0419 -23.9833 -23.9833 -23.9828 -23.9828 -13.9854 -13.9854 -13.9854 -13.9854 -13.5705 -13.5705 -13.5705 -13.5705 -6.5439 -6.5439 -6.5430 -6.5430 -6.1888 -6.1888 -6.1885 -6.1885 -4.6706 -4.6706 -4.6670 -4.6670 -4.5806 -4.5806 -4.5641 -4.5641 -4.3272 -4.3272 -4.3185 -4.3185 -4.1581 -4.1581 -4.1343 -4.1343 -0.9210 -0.9210 -0.8839 -0.8839 -0.8137 -0.8137 -0.7761 -0.7761 -0.5989 -0.5989 -0.5891 -0.5891 -0.3313 -0.3313 -0.3224 -0.3224 2.8902 2.8902 2.8911 2.8911 3.3206 3.3206 3.3231 3.3231 9.4750 9.4750 9.4788 9.4788 k = 0.2568 0.3329 0.2550 ( 6784 PWs) bands (ev): -24.0407 -24.0407 -24.0402 -24.0402 -23.9841 -23.9841 -23.9836 -23.9836 -13.9790 -13.9790 -13.9790 -13.9790 -13.5809 -13.5809 -13.5809 -13.5809 -6.5364 -6.5364 -6.5355 -6.5355 -6.1891 -6.1891 -6.1888 -6.1888 -4.6802 -4.6802 -4.6770 -4.6770 -4.5853 -4.5853 -4.5683 -4.5683 -4.3319 -4.3319 -4.3238 -4.3238 -4.1618 -4.1618 -4.1376 -4.1376 -0.9193 -0.9193 -0.8811 -0.8811 -0.8108 -0.8108 -0.7721 -0.7721 -0.5865 -0.5865 -0.5757 -0.5757 -0.3340 -0.3340 -0.3244 -0.3244 2.9124 2.9124 2.9135 2.9135 3.3135 3.3135 3.3160 3.3160 9.4673 9.4673 9.4710 9.4710 k = 0.2703 0.3329 0.2550 ( 6780 PWs) bands (ev): -24.0390 -24.0390 -24.0385 -24.0385 -23.9850 -23.9850 -23.9845 -23.9845 -13.9723 -13.9723 -13.9723 -13.9723 -13.5917 -13.5917 -13.5916 -13.5916 -6.5285 -6.5285 -6.5276 -6.5276 -6.1897 -6.1897 -6.1894 -6.1894 -4.6909 -4.6909 -4.6882 -4.6882 -4.5892 -4.5892 -4.5718 -4.5718 -4.3363 -4.3363 -4.3289 -4.3289 -4.1653 -4.1653 -4.1408 -4.1408 -0.9180 -0.9180 -0.8789 -0.8789 -0.8074 -0.8074 -0.7679 -0.7679 -0.5740 -0.5740 -0.5622 -0.5622 -0.3368 -0.3368 -0.3264 -0.3264 2.9344 2.9344 2.9357 2.9357 3.3065 3.3065 3.3090 3.3090 9.4595 9.4595 9.4631 9.4631 k = 0.2838 0.3329 0.2550 ( 6794 PWs) bands (ev): -24.0373 -24.0373 -24.0368 -24.0368 -23.9859 -23.9859 -23.9854 -23.9854 -13.9653 -13.9653 -13.9652 -13.9652 -13.6027 -13.6027 -13.6026 -13.6026 -6.5202 -6.5202 -6.5194 -6.5194 -6.1907 -6.1907 -6.1904 -6.1904 -4.7022 -4.7022 -4.7000 -4.7000 -4.5928 -4.5928 -4.5749 -4.5749 -4.3403 -4.3403 -4.3337 -4.3337 -4.1685 -4.1685 -4.1439 -4.1439 -0.9170 -0.9170 -0.8772 -0.8772 -0.8037 -0.8037 -0.7635 -0.7635 -0.5614 -0.5614 -0.5487 -0.5487 -0.3396 -0.3396 -0.3283 -0.3283 2.9559 2.9559 2.9574 2.9574 3.2998 3.2998 3.3023 3.3023 9.4516 9.4516 9.4551 9.4551 k = 0.2973 0.3329 0.2550 ( 6790 PWs) bands (ev): -24.0355 -24.0355 -24.0350 -24.0350 -23.9868 -23.9868 -23.9864 -23.9864 -13.9579 -13.9579 -13.9579 -13.9579 -13.6139 -13.6139 -13.6138 -13.6138 -6.5117 -6.5117 -6.5108 -6.5108 -6.1920 -6.1920 -6.1918 -6.1918 -4.7138 -4.7138 -4.7122 -4.7122 -4.5961 -4.5961 -4.5779 -4.5779 -4.3439 -4.3439 -4.3382 -4.3382 -4.1716 -4.1716 -4.1468 -4.1468 -0.9163 -0.9163 -0.8761 -0.8761 -0.7996 -0.7996 -0.7590 -0.7590 -0.5491 -0.5491 -0.5353 -0.5353 -0.3423 -0.3423 -0.3300 -0.3300 2.9768 2.9768 2.9785 2.9785 3.2933 3.2933 3.2957 3.2957 9.4439 9.4439 9.4472 9.4472 k = 0.3108 0.3329 0.2550 ( 6796 PWs) bands (ev): -24.0337 -24.0337 -24.0332 -24.0332 -23.9879 -23.9879 -23.9874 -23.9874 -13.9503 -13.9503 -13.9503 -13.9503 -13.6253 -13.6253 -13.6253 -13.6253 -6.5028 -6.5028 -6.5020 -6.5020 -6.1937 -6.1937 -6.1935 -6.1935 -4.7255 -4.7255 -4.7243 -4.7243 -4.5996 -4.5996 -4.5809 -4.5809 -4.3470 -4.3470 -4.3422 -4.3422 -4.1745 -4.1745 -4.1496 -4.1496 -0.9158 -0.9158 -0.8753 -0.8753 -0.7954 -0.7954 -0.7543 -0.7543 -0.5369 -0.5369 -0.5221 -0.5221 -0.3450 -0.3450 -0.3317 -0.3317 2.9970 2.9970 2.9990 2.9990 3.2871 3.2871 3.2894 3.2894 9.4365 9.4365 9.4397 9.4397 k = 0.3243 0.3329 0.2550 ( 6792 PWs) bands (ev): -24.0319 -24.0319 -24.0314 -24.0314 -23.9889 -23.9889 -23.9884 -23.9884 -13.9424 -13.9424 -13.9424 -13.9424 -13.6369 -13.6369 -13.6368 -13.6368 -6.4937 -6.4937 -6.4929 -6.4929 -6.1959 -6.1959 -6.1957 -6.1957 -4.7369 -4.7369 -4.7362 -4.7362 -4.6032 -4.6032 -4.5841 -4.5841 -4.3495 -4.3495 -4.3456 -4.3456 -4.1773 -4.1773 -4.1523 -4.1523 -0.9155 -0.9155 -0.8749 -0.8749 -0.7910 -0.7910 -0.7497 -0.7497 -0.5252 -0.5252 -0.5093 -0.5093 -0.3477 -0.3477 -0.3333 -0.3333 3.0164 3.0164 3.0188 3.0188 3.2812 3.2812 3.2833 3.2833 9.4295 9.4295 9.4325 9.4325 k = 0.3378 0.3329 0.2550 ( 6798 PWs) bands (ev): -24.0300 -24.0300 -24.0295 -24.0295 -23.9901 -23.9901 -23.9896 -23.9896 -13.9342 -13.9342 -13.9342 -13.9342 -13.6486 -13.6486 -13.6485 -13.6485 -6.4844 -6.4844 -6.4837 -6.4837 -6.1985 -6.1985 -6.1983 -6.1983 -4.7481 -4.7481 -4.7476 -4.7476 -4.6070 -4.6070 -4.5875 -4.5875 -4.3515 -4.3515 -4.3485 -4.3485 -4.1798 -4.1798 -4.1549 -4.1549 -0.9153 -0.9153 -0.8748 -0.8748 -0.7867 -0.7867 -0.7452 -0.7452 -0.5139 -0.5139 -0.4968 -0.4968 -0.3505 -0.3505 -0.3347 -0.3347 3.0349 3.0349 3.0377 3.0377 3.2755 3.2755 3.2774 3.2774 9.4231 9.4231 9.4260 9.4260 k = 0.3514 0.3329 0.2550 ( 6804 PWs) bands (ev): -24.0281 -24.0281 -24.0277 -24.0277 -23.9912 -23.9912 -23.9908 -23.9908 -13.9258 -13.9258 -13.9257 -13.9257 -13.6603 -13.6603 -13.6603 -13.6603 -6.4751 -6.4751 -6.4744 -6.4744 -6.2016 -6.2016 -6.2013 -6.2013 -4.7587 -4.7587 -4.7583 -4.7583 -4.6110 -4.6110 -4.5911 -4.5911 -4.3529 -4.3529 -4.3508 -4.3508 -4.1823 -4.1823 -4.1574 -4.1574 -0.9153 -0.9153 -0.8748 -0.8748 -0.7824 -0.7824 -0.7408 -0.7408 -0.5031 -0.5031 -0.4848 -0.4848 -0.3532 -0.3532 -0.3361 -0.3361 3.0525 3.0525 3.0557 3.0557 3.2701 3.2701 3.2718 3.2718 9.4175 9.4175 9.4203 9.4203 k = 0.3649 0.3329 0.2550 ( 6808 PWs) bands (ev): -24.0263 -24.0263 -24.0258 -24.0258 -23.9925 -23.9925 -23.9920 -23.9920 -13.9171 -13.9171 -13.9171 -13.9171 -13.6721 -13.6721 -13.6721 -13.6721 -6.4656 -6.4656 -6.4650 -6.4650 -6.2050 -6.2050 -6.2047 -6.2047 -4.7688 -4.7688 -4.7683 -4.7683 -4.6153 -4.6153 -4.5949 -4.5949 -4.3539 -4.3539 -4.3525 -4.3525 -4.1845 -4.1845 -4.1597 -4.1597 -0.9154 -0.9154 -0.8750 -0.8750 -0.7783 -0.7783 -0.7366 -0.7366 -0.4931 -0.4931 -0.4733 -0.4733 -0.3559 -0.3559 -0.3372 -0.3372 3.0690 3.0690 3.0727 3.0727 3.2650 3.2650 3.2663 3.2663 9.4128 9.4128 9.4154 9.4154 k = 0.3784 0.3329 0.2550 ( 6802 PWs) bands (ev): -24.0244 -24.0244 -24.0239 -24.0239 -23.9938 -23.9938 -23.9933 -23.9933 -13.9083 -13.9083 -13.9082 -13.9082 -13.6839 -13.6839 -13.6838 -13.6838 -6.4563 -6.4563 -6.4557 -6.4557 -6.2088 -6.2088 -6.2084 -6.2084 -4.7782 -4.7782 -4.7775 -4.7775 -4.6196 -4.6196 -4.5989 -4.5989 -4.3545 -4.3545 -4.3537 -4.3537 -4.1866 -4.1866 -4.1619 -4.1619 -0.9156 -0.9156 -0.8753 -0.8753 -0.7744 -0.7744 -0.7326 -0.7326 -0.4837 -0.4837 -0.4624 -0.4624 -0.3587 -0.3587 -0.3383 -0.3383 3.0845 3.0845 3.0887 3.0887 3.2601 3.2601 3.2609 3.2609 9.4091 9.4091 9.4117 9.4117 k = 0.3919 0.3329 0.2550 ( 6806 PWs) bands (ev): -24.0224 -24.0224 -24.0220 -24.0220 -23.9951 -23.9951 -23.9946 -23.9946 -13.8993 -13.8993 -13.8992 -13.8992 -13.6955 -13.6955 -13.6955 -13.6955 -6.4471 -6.4471 -6.4466 -6.4466 -6.2128 -6.2128 -6.2124 -6.2124 -4.7866 -4.7866 -4.7858 -4.7858 -4.6238 -4.6238 -4.6028 -4.6028 -4.3548 -4.3548 -4.3544 -4.3544 -4.1885 -4.1885 -4.1639 -4.1639 -0.9158 -0.9158 -0.8756 -0.8756 -0.7708 -0.7708 -0.7288 -0.7288 -0.4751 -0.4751 -0.4521 -0.4521 -0.3615 -0.3615 -0.3392 -0.3392 3.0988 3.0988 3.1037 3.1037 3.2553 3.2553 3.2557 3.2557 9.4066 9.4066 9.4090 9.4090 k = 0.4054 0.3329 0.2550 ( 6800 PWs) bands (ev): -24.0205 -24.0205 -24.0201 -24.0201 -23.9965 -23.9965 -23.9960 -23.9960 -13.8902 -13.8902 -13.8902 -13.8902 -13.7069 -13.7069 -13.7069 -13.7069 -6.4382 -6.4382 -6.4378 -6.4378 -6.2171 -6.2171 -6.2166 -6.2166 -4.7942 -4.7942 -4.7932 -4.7932 -4.6280 -4.6280 -4.6067 -4.6067 -4.3551 -4.3551 -4.3544 -4.3544 -4.1903 -4.1903 -4.1657 -4.1657 -0.9161 -0.9161 -0.8760 -0.8760 -0.7675 -0.7675 -0.7255 -0.7255 -0.4674 -0.4674 -0.4424 -0.4424 -0.3645 -0.3645 -0.3401 -0.3401 3.1119 3.1119 3.1176 3.1176 3.2505 3.2505 3.2508 3.2508 9.4053 9.4053 9.4077 9.4077 k = 0.4189 0.3329 0.2550 ( 6804 PWs) bands (ev): -24.0187 -24.0187 -24.0182 -24.0182 -23.9980 -23.9980 -23.9975 -23.9975 -13.8812 -13.8812 -13.8812 -13.8812 -13.7181 -13.7181 -13.7180 -13.7180 -6.4299 -6.4299 -6.4295 -6.4295 -6.2214 -6.2214 -6.2208 -6.2208 -4.8008 -4.8008 -4.7996 -4.7996 -4.6319 -4.6319 -4.6104 -4.6104 -4.3552 -4.3552 -4.3541 -4.3541 -4.1919 -4.1919 -4.1673 -4.1673 -0.9163 -0.9163 -0.8763 -0.8763 -0.7646 -0.7646 -0.7225 -0.7225 -0.4607 -0.4607 -0.4334 -0.4334 -0.3676 -0.3676 -0.3407 -0.3407 3.1239 3.1239 3.1304 3.1304 3.2454 3.2454 3.2465 3.2465 9.4054 9.4054 9.4077 9.4077 k = 0.4324 0.3329 0.2550 ( 6806 PWs) bands (ev): -24.0168 -24.0168 -24.0163 -24.0163 -23.9995 -23.9995 -23.9990 -23.9990 -13.8723 -13.8723 -13.8723 -13.8723 -13.7288 -13.7288 -13.7287 -13.7287 -6.4222 -6.4222 -6.4218 -6.4218 -6.2256 -6.2256 -6.2249 -6.2249 -4.8064 -4.8064 -4.8051 -4.8051 -4.6354 -4.6354 -4.6138 -4.6138 -4.3551 -4.3551 -4.3537 -4.3537 -4.1932 -4.1932 -4.1688 -4.1688 -0.9166 -0.9166 -0.8767 -0.8767 -0.7620 -0.7620 -0.7199 -0.7199 -0.4548 -0.4548 -0.4249 -0.4249 -0.3709 -0.3709 -0.3413 -0.3413 3.1345 3.1345 3.1420 3.1420 3.2403 3.2403 3.2424 3.2424 9.4068 9.4068 9.4092 9.4092 k = 0.4459 0.3329 0.2550 ( 6808 PWs) bands (ev): -24.0149 -24.0149 -24.0144 -24.0144 -24.0010 -24.0010 -24.0005 -24.0005 -13.8638 -13.8638 -13.8638 -13.8638 -13.7387 -13.7387 -13.7387 -13.7387 -6.4154 -6.4154 -6.4151 -6.4151 -6.2295 -6.2295 -6.2288 -6.2288 -4.8110 -4.8110 -4.8096 -4.8096 -4.6384 -4.6384 -4.6168 -4.6168 -4.3549 -4.3549 -4.3533 -4.3533 -4.1944 -4.1944 -4.1700 -4.1700 -0.9168 -0.9168 -0.8770 -0.8770 -0.7599 -0.7599 -0.7177 -0.7177 -0.4500 -0.4500 -0.4172 -0.4172 -0.3744 -0.3744 -0.3418 -0.3418 3.1437 3.1437 3.1524 3.1524 3.2354 3.2354 3.2385 3.2385 9.4096 9.4096 9.4120 9.4120 k = 0.4595 0.3329 0.2550 ( 6804 PWs) bands (ev): -24.0131 -24.0131 -24.0126 -24.0126 -24.0026 -24.0026 -24.0021 -24.0021 -13.8561 -13.8561 -13.8561 -13.8561 -13.7476 -13.7476 -13.7476 -13.7476 -6.4098 -6.4098 -6.4094 -6.4094 -6.2328 -6.2328 -6.2321 -6.2321 -4.8146 -4.8146 -4.8132 -4.8132 -4.6409 -4.6409 -4.6191 -4.6191 -4.3547 -4.3547 -4.3529 -4.3529 -4.1953 -4.1953 -4.1709 -4.1709 -0.9169 -0.9169 -0.8772 -0.8772 -0.7583 -0.7583 -0.7160 -0.7160 -0.4462 -0.4462 -0.4100 -0.4100 -0.3782 -0.3782 -0.3422 -0.3422 3.1513 3.1513 3.1614 3.1614 3.2307 3.2307 3.2351 3.2351 9.4136 9.4136 9.4161 9.4161 k = 0.4730 0.3329 0.2550 ( 6794 PWs) bands (ev): -24.0113 -24.0113 -24.0108 -24.0108 -24.0042 -24.0042 -24.0037 -24.0037 -13.8496 -13.8496 -13.8496 -13.8496 -13.7549 -13.7549 -13.7549 -13.7549 -6.4055 -6.4055 -6.4052 -6.4052 -6.2355 -6.2355 -6.2346 -6.2346 -4.8171 -4.8171 -4.8157 -4.8157 -4.6428 -4.6428 -4.6209 -4.6209 -4.3545 -4.3545 -4.3525 -4.3525 -4.1960 -4.1960 -4.1716 -4.1716 -0.9171 -0.9171 -0.8774 -0.8774 -0.7571 -0.7571 -0.7147 -0.7147 -0.4435 -0.4435 -0.4035 -0.4035 -0.3823 -0.3823 -0.3424 -0.3424 3.1571 3.1571 3.1685 3.1685 3.2266 3.2266 3.2324 3.2324 9.4183 9.4183 9.4211 9.4211 k = 0.4865 0.3329 0.2550 ( 6798 PWs) bands (ev): -24.0096 -24.0096 -24.0091 -24.0091 -24.0059 -24.0059 -24.0054 -24.0054 -13.8452 -13.8452 -13.8452 -13.8452 -13.7599 -13.7599 -13.7598 -13.7598 -6.4029 -6.4029 -6.4025 -6.4025 -6.2372 -6.2372 -6.2363 -6.2363 -4.8187 -4.8187 -4.8172 -4.8172 -4.6439 -4.6439 -4.6220 -4.6220 -4.3544 -4.3544 -4.3523 -4.3523 -4.1964 -4.1964 -4.1720 -4.1720 -0.9172 -0.9172 -0.8775 -0.8775 -0.7564 -0.7564 -0.7140 -0.7140 -0.4419 -0.4419 -0.3977 -0.3977 -0.3867 -0.3867 -0.3426 -0.3426 3.1608 3.1608 3.1733 3.1733 3.2237 3.2237 3.2305 3.2305 9.4227 9.4227 9.4260 9.4260 k = 0.5000 0.3329 0.2550 ( 6792 PWs) bands (ev): -24.0083 -24.0083 -24.0077 -24.0077 -24.0072 -24.0072 -24.0066 -24.0066 -13.8436 -13.8436 -13.8436 -13.8436 -13.7617 -13.7617 -13.7616 -13.7616 -6.4019 -6.4019 -6.4016 -6.4016 -6.2377 -6.2377 -6.2369 -6.2369 -4.8192 -4.8192 -4.8177 -4.8177 -4.6443 -4.6443 -4.6224 -4.6224 -4.3543 -4.3543 -4.3522 -4.3522 -4.1965 -4.1965 -4.1722 -4.1722 -0.9172 -0.9172 -0.8775 -0.8775 -0.7561 -0.7561 -0.7137 -0.7137 -0.4413 -0.4413 -0.3936 -0.3936 -0.3903 -0.3903 -0.3426 -0.3426 3.1621 3.1621 3.1751 3.1751 3.2226 3.2226 3.2299 3.2299 9.4247 9.4247 9.4282 9.4282 k = 0.5000 0.3329 0.2550 ( 6792 PWs) bands (ev): -24.0083 -24.0083 -24.0077 -24.0077 -24.0072 -24.0072 -24.0066 -24.0066 -13.8436 -13.8436 -13.8436 -13.8436 -13.7617 -13.7617 -13.7616 -13.7616 -6.4019 -6.4019 -6.4016 -6.4016 -6.2377 -6.2377 -6.2369 -6.2369 -4.8192 -4.8192 -4.8177 -4.8177 -4.6443 -4.6443 -4.6224 -4.6224 -4.3543 -4.3543 -4.3522 -4.3522 -4.1965 -4.1965 -4.1722 -4.1722 -0.9172 -0.9172 -0.8775 -0.8775 -0.7561 -0.7561 -0.7137 -0.7137 -0.4413 -0.4413 -0.3936 -0.3936 -0.3903 -0.3903 -0.3426 -0.3426 3.1621 3.1621 3.1751 3.1751 3.2226 3.2226 3.2299 3.2299 9.4247 9.4247 9.4282 9.4282 k = 0.5000 0.3403 0.2454 ( 6796 PWs) bands (ev): -24.0088 -24.0088 -24.0085 -24.0085 -24.0064 -24.0064 -24.0061 -24.0061 -13.8437 -13.8437 -13.8437 -13.8437 -13.7615 -13.7615 -13.7614 -13.7614 -6.4023 -6.4023 -6.4020 -6.4020 -6.2375 -6.2375 -6.2366 -6.2366 -4.8191 -4.8191 -4.8176 -4.8176 -4.6444 -4.6444 -4.6226 -4.6226 -4.3543 -4.3543 -4.3522 -4.3522 -4.1962 -4.1962 -4.1719 -4.1719 -0.9175 -0.9175 -0.8778 -0.8778 -0.7557 -0.7557 -0.7134 -0.7134 -0.4427 -0.4427 -0.3952 -0.3952 -0.3889 -0.3889 -0.3411 -0.3411 3.1619 3.1619 3.1749 3.1749 3.2223 3.2223 3.2296 3.2296 9.4251 9.4251 9.4285 9.4285 k = 0.5000 0.3477 0.2358 ( 6804 PWs) bands (ev): -24.0097 -24.0097 -24.0096 -24.0096 -24.0053 -24.0053 -24.0052 -24.0052 -13.8442 -13.8442 -13.8442 -13.8442 -13.7610 -13.7610 -13.7610 -13.7610 -6.4035 -6.4035 -6.4031 -6.4031 -6.2368 -6.2368 -6.2359 -6.2359 -4.8189 -4.8189 -4.8176 -4.8176 -4.6446 -4.6446 -4.6231 -4.6231 -4.3543 -4.3543 -4.3522 -4.3522 -4.1953 -4.1953 -4.1711 -4.1711 -0.9183 -0.9183 -0.8786 -0.8786 -0.7545 -0.7545 -0.7125 -0.7125 -0.4464 -0.4464 -0.3995 -0.3995 -0.3851 -0.3851 -0.3371 -0.3371 3.1615 3.1615 3.1745 3.1745 3.2215 3.2215 3.2288 3.2288 9.4261 9.4261 9.4296 9.4296 k = 0.5000 0.3550 0.2262 ( 6806 PWs) bands (ev): -24.0107 -24.0107 -24.0106 -24.0106 -24.0043 -24.0043 -24.0042 -24.0042 -13.8449 -13.8449 -13.8449 -13.8449 -13.7603 -13.7603 -13.7602 -13.7602 -6.4053 -6.4053 -6.4049 -6.4049 -6.2356 -6.2356 -6.2347 -6.2347 -4.8185 -4.8185 -4.8174 -4.8174 -4.6451 -4.6451 -4.6240 -4.6240 -4.3543 -4.3543 -4.3520 -4.3520 -4.1939 -4.1939 -4.1698 -4.1698 -0.9195 -0.9195 -0.8800 -0.8800 -0.7525 -0.7525 -0.7109 -0.7109 -0.4516 -0.4516 -0.4056 -0.4056 -0.3797 -0.3797 -0.3314 -0.3314 3.1609 3.1609 3.1737 3.1737 3.2202 3.2202 3.2274 3.2274 9.4281 9.4281 9.4314 9.4314 k = 0.5000 0.3624 0.2166 ( 6796 PWs) bands (ev): -24.0118 -24.0118 -24.0117 -24.0117 -24.0032 -24.0032 -24.0031 -24.0031 -13.8458 -13.8458 -13.8458 -13.8458 -13.7592 -13.7592 -13.7592 -13.7592 -6.4077 -6.4077 -6.4074 -6.4074 -6.2341 -6.2341 -6.2332 -6.2332 -4.8180 -4.8180 -4.8172 -4.8172 -4.6458 -4.6458 -4.6253 -4.6253 -4.3542 -4.3542 -4.3519 -4.3519 -4.1919 -4.1919 -4.1680 -4.1680 -0.9213 -0.9213 -0.8818 -0.8818 -0.7498 -0.7498 -0.7089 -0.7089 -0.4576 -0.4576 -0.4125 -0.4125 -0.3734 -0.3734 -0.3250 -0.3250 3.1599 3.1599 3.1727 3.1727 3.2183 3.2183 3.2256 3.2256 9.4311 9.4311 9.4344 9.4344 k = 0.5000 0.3697 0.2070 ( 6798 PWs) bands (ev): -24.0128 -24.0128 -24.0127 -24.0127 -24.0022 -24.0022 -24.0021 -24.0021 -13.8470 -13.8470 -13.8470 -13.8470 -13.7580 -13.7580 -13.7579 -13.7579 -6.4107 -6.4107 -6.4104 -6.4104 -6.2323 -6.2323 -6.2315 -6.2315 -4.8174 -4.8174 -4.8169 -4.8169 -4.6466 -4.6466 -4.6269 -4.6269 -4.3540 -4.3540 -4.3517 -4.3517 -4.1894 -4.1894 -4.1658 -4.1658 -0.9233 -0.9233 -0.8840 -0.8840 -0.7466 -0.7466 -0.7065 -0.7065 -0.4638 -0.4638 -0.4200 -0.4200 -0.3668 -0.3668 -0.3184 -0.3184 3.1587 3.1587 3.1713 3.1713 3.2160 3.2160 3.2232 3.2232 9.4352 9.4352 9.4385 9.4385 k = 0.5000 0.3771 0.1974 ( 6796 PWs) bands (ev): -24.0138 -24.0138 -24.0137 -24.0137 -24.0011 -24.0011 -24.0011 -24.0011 -13.8483 -13.8483 -13.8483 -13.8483 -13.7565 -13.7565 -13.7565 -13.7565 -6.4141 -6.4141 -6.4138 -6.4138 -6.2304 -6.2304 -6.2295 -6.2295 -4.8168 -4.8168 -4.8164 -4.8164 -4.6476 -4.6476 -4.6288 -4.6288 -4.3538 -4.3538 -4.3514 -4.3514 -4.1864 -4.1864 -4.1630 -4.1630 -0.9257 -0.9257 -0.8866 -0.8866 -0.7428 -0.7428 -0.7038 -0.7038 -0.4699 -0.4699 -0.4275 -0.4275 -0.3601 -0.3601 -0.3117 -0.3117 3.1572 3.1572 3.1696 3.1696 3.2133 3.2133 3.2204 3.2204 9.4407 9.4407 9.4439 9.4439 k = 0.5000 0.3844 0.1878 ( 6788 PWs) bands (ev): -24.0148 -24.0148 -24.0148 -24.0148 -24.0001 -24.0001 -24.0001 -24.0001 -13.8498 -13.8498 -13.8497 -13.8497 -13.7549 -13.7549 -13.7549 -13.7549 -6.4178 -6.4178 -6.4175 -6.4175 -6.2284 -6.2284 -6.2276 -6.2276 -4.8164 -4.8164 -4.8155 -4.8155 -4.6488 -4.6488 -4.6309 -4.6309 -4.3536 -4.3536 -4.3510 -4.3510 -4.1829 -4.1829 -4.1599 -4.1599 -0.9282 -0.9282 -0.8894 -0.8894 -0.7387 -0.7387 -0.7009 -0.7009 -0.4758 -0.4758 -0.4349 -0.4349 -0.3536 -0.3536 -0.3052 -0.3052 3.1554 3.1554 3.1676 3.1676 3.2101 3.2101 3.2172 3.2172 9.4476 9.4476 9.4507 9.4507 k = 0.5000 0.3918 0.1782 ( 6790 PWs) bands (ev): -24.0158 -24.0158 -24.0158 -24.0158 -23.9991 -23.9991 -23.9991 -23.9991 -13.8513 -13.8513 -13.8512 -13.8512 -13.7533 -13.7533 -13.7532 -13.7532 -6.4218 -6.4218 -6.4215 -6.4215 -6.2265 -6.2265 -6.2256 -6.2256 -4.8160 -4.8160 -4.8145 -4.8145 -4.6500 -4.6500 -4.6332 -4.6332 -4.3532 -4.3532 -4.3506 -4.3506 -4.1790 -4.1790 -4.1564 -4.1564 -0.9309 -0.9309 -0.8923 -0.8923 -0.7343 -0.7343 -0.6979 -0.6979 -0.4812 -0.4812 -0.4422 -0.4422 -0.3472 -0.3472 -0.2990 -0.2990 3.1533 3.1533 3.1652 3.1652 3.2066 3.2066 3.2137 3.2137 9.4560 9.4560 9.4590 9.4590 k = 0.5000 0.3991 0.1686 ( 6786 PWs) bands (ev): -24.0168 -24.0168 -24.0168 -24.0168 -23.9981 -23.9981 -23.9980 -23.9980 -13.8528 -13.8528 -13.8528 -13.8528 -13.7516 -13.7516 -13.7515 -13.7515 -6.4259 -6.4259 -6.4256 -6.4256 -6.2247 -6.2247 -6.2238 -6.2238 -4.8155 -4.8155 -4.8134 -4.8134 -4.6512 -4.6512 -4.6356 -4.6356 -4.3528 -4.3528 -4.3502 -4.3502 -4.1748 -4.1748 -4.1526 -4.1526 -0.9336 -0.9336 -0.8954 -0.8954 -0.7298 -0.7298 -0.6950 -0.6950 -0.4860 -0.4860 -0.4490 -0.4490 -0.3412 -0.3412 -0.2933 -0.2933 3.1508 3.1508 3.1624 3.1624 3.2028 3.2028 3.2099 3.2099 9.4659 9.4659 9.4688 9.4688 k = 0.5000 0.3991 0.1686 ( 6786 PWs) bands (ev): -24.0168 -24.0168 -24.0168 -24.0168 -23.9981 -23.9981 -23.9980 -23.9980 -13.8528 -13.8528 -13.8528 -13.8528 -13.7516 -13.7516 -13.7515 -13.7515 -6.4259 -6.4259 -6.4256 -6.4256 -6.2247 -6.2247 -6.2238 -6.2238 -4.8155 -4.8155 -4.8134 -4.8134 -4.6512 -4.6512 -4.6356 -4.6356 -4.3528 -4.3528 -4.3502 -4.3502 -4.1748 -4.1748 -4.1526 -4.1526 -0.9336 -0.9336 -0.8954 -0.8954 -0.7298 -0.7298 -0.6950 -0.6950 -0.4860 -0.4860 -0.4490 -0.4490 -0.3412 -0.3412 -0.2933 -0.2933 3.1508 3.1508 3.1624 3.1624 3.2028 3.2028 3.2099 3.2099 9.4659 9.4659 9.4688 9.4688 k = 0.5000 0.3958 0.1559 ( 6786 PWs) bands (ev): -24.0186 -24.0186 -24.0185 -24.0185 -23.9963 -23.9963 -23.9963 -23.9963 -13.8550 -13.8550 -13.8550 -13.8550 -13.7494 -13.7494 -13.7493 -13.7493 -6.4282 -6.4282 -6.4279 -6.4279 -6.2209 -6.2209 -6.2200 -6.2200 -4.8185 -4.8185 -4.8158 -4.8158 -4.6562 -4.6562 -4.6422 -4.6422 -4.3530 -4.3530 -4.3504 -4.3504 -4.1656 -4.1656 -4.1446 -4.1446 -0.9376 -0.9376 -0.8998 -0.8998 -0.7214 -0.7214 -0.6881 -0.6881 -0.4974 -0.4974 -0.4623 -0.4623 -0.3353 -0.3353 -0.2876 -0.2876 3.1504 3.1504 3.1617 3.1617 3.2028 3.2028 3.2097 3.2097 9.4846 9.4846 9.4876 9.4876 k = 0.5000 0.3925 0.1431 ( 6790 PWs) bands (ev): -24.0203 -24.0203 -24.0203 -24.0203 -23.9946 -23.9946 -23.9946 -23.9946 -13.8572 -13.8572 -13.8572 -13.8572 -13.7472 -13.7472 -13.7471 -13.7471 -6.4306 -6.4306 -6.4303 -6.4303 -6.2171 -6.2171 -6.2162 -6.2162 -4.8221 -4.8221 -4.8189 -4.8189 -4.6608 -4.6608 -4.6485 -4.6485 -4.3534 -4.3534 -4.3508 -4.3508 -4.1554 -4.1554 -4.1356 -4.1356 -0.9412 -0.9412 -0.9038 -0.9038 -0.7128 -0.7128 -0.6813 -0.6813 -0.5086 -0.5086 -0.4759 -0.4759 -0.3301 -0.3301 -0.2828 -0.2828 3.1489 3.1489 3.1597 3.1597 3.2036 3.2036 3.2105 3.2105 9.5066 9.5066 9.5097 9.5097 k = 0.5000 0.3892 0.1304 ( 6792 PWs) bands (ev): -24.0219 -24.0219 -24.0219 -24.0219 -23.9929 -23.9929 -23.9929 -23.9929 -13.8594 -13.8594 -13.8594 -13.8594 -13.7450 -13.7450 -13.7449 -13.7449 -6.4329 -6.4329 -6.4326 -6.4326 -6.2133 -6.2133 -6.2125 -6.2125 -4.8265 -4.8265 -4.8228 -4.8228 -4.6651 -4.6651 -4.6544 -4.6544 -4.3539 -4.3539 -4.3515 -4.3515 -4.1444 -4.1444 -4.1259 -4.1259 -0.9443 -0.9443 -0.9075 -0.9075 -0.7039 -0.7039 -0.6748 -0.6748 -0.5196 -0.5196 -0.4896 -0.4896 -0.3257 -0.3257 -0.2788 -0.2788 3.1464 3.1464 3.1566 3.1566 3.2051 3.2051 3.2119 3.2119 9.5319 9.5319 9.5351 9.5351 k = 0.5000 0.3859 0.1176 ( 6790 PWs) bands (ev): -24.0235 -24.0235 -24.0235 -24.0235 -23.9913 -23.9913 -23.9913 -23.9913 -13.8616 -13.8616 -13.8615 -13.8615 -13.7428 -13.7428 -13.7427 -13.7427 -6.4352 -6.4352 -6.4349 -6.4349 -6.2096 -6.2096 -6.2088 -6.2088 -4.8315 -4.8315 -4.8274 -4.8274 -4.6689 -4.6689 -4.6597 -4.6597 -4.3546 -4.3546 -4.3522 -4.3522 -4.1329 -4.1329 -4.1156 -4.1156 -0.9471 -0.9471 -0.9108 -0.9108 -0.6950 -0.6950 -0.6687 -0.6687 -0.5299 -0.5299 -0.5033 -0.5033 -0.3221 -0.3221 -0.2758 -0.2758 3.1431 3.1431 3.1527 3.1527 3.2071 3.2071 3.2138 3.2138 9.5602 9.5602 9.5637 9.5637 k = 0.5000 0.3826 0.1049 ( 6780 PWs) bands (ev): -24.0251 -24.0251 -24.0250 -24.0250 -23.9897 -23.9897 -23.9897 -23.9897 -13.8637 -13.8637 -13.8636 -13.8636 -13.7407 -13.7407 -13.7406 -13.7406 -6.4374 -6.4374 -6.4371 -6.4371 -6.2060 -6.2060 -6.2052 -6.2052 -4.8371 -4.8371 -4.8327 -4.8327 -4.6721 -4.6721 -4.6643 -4.6643 -4.3553 -4.3553 -4.3531 -4.3531 -4.1211 -4.1211 -4.1051 -4.1051 -0.9493 -0.9493 -0.9138 -0.9138 -0.6860 -0.6860 -0.6635 -0.6635 -0.5392 -0.5392 -0.5168 -0.5168 -0.3192 -0.3192 -0.2736 -0.2736 3.1394 3.1394 3.1484 3.1484 3.2093 3.2093 3.2158 3.2158 9.5915 9.5915 9.5952 9.5952 k = 0.5000 0.3793 0.0921 ( 6776 PWs) bands (ev): -24.0265 -24.0265 -24.0265 -24.0265 -23.9882 -23.9882 -23.9882 -23.9882 -13.8657 -13.8657 -13.8657 -13.8657 -13.7386 -13.7386 -13.7386 -13.7386 -6.4396 -6.4396 -6.4392 -6.4392 -6.2026 -6.2026 -6.2018 -6.2018 -4.8431 -4.8431 -4.8385 -4.8385 -4.6749 -4.6749 -4.6683 -4.6683 -4.3560 -4.3560 -4.3539 -4.3539 -4.1092 -4.1092 -4.0944 -4.0944 -0.9511 -0.9511 -0.9164 -0.9164 -0.6771 -0.6771 -0.6595 -0.6595 -0.5472 -0.5472 -0.5300 -0.5300 -0.3170 -0.3170 -0.2723 -0.2723 3.1353 3.1353 3.1438 3.1438 3.2116 3.2116 3.2180 3.2180 9.6256 9.6256 9.6295 9.6295 k = 0.5000 0.3760 0.0794 ( 6782 PWs) bands (ev): -24.0279 -24.0279 -24.0279 -24.0279 -23.9868 -23.9868 -23.9868 -23.9868 -13.8677 -13.8677 -13.8676 -13.8676 -13.7366 -13.7366 -13.7366 -13.7366 -6.4416 -6.4416 -6.4413 -6.4413 -6.1993 -6.1993 -6.1985 -6.1985 -4.8494 -4.8494 -4.8447 -4.8447 -4.6771 -4.6771 -4.6716 -4.6716 -4.3568 -4.3568 -4.3548 -4.3548 -4.0974 -4.0974 -4.0838 -4.0838 -0.9524 -0.9524 -0.9187 -0.9187 -0.6687 -0.6687 -0.6571 -0.6571 -0.5532 -0.5532 -0.5425 -0.5425 -0.3154 -0.3154 -0.2718 -0.2718 3.1312 3.1312 3.1390 3.1390 3.2140 3.2140 3.2201 3.2201 9.6623 9.6623 9.6665 9.6665 k = 0.5000 0.3727 0.0666 ( 6780 PWs) bands (ev): -24.0292 -24.0292 -24.0292 -24.0292 -23.9855 -23.9855 -23.9855 -23.9855 -13.8695 -13.8695 -13.8695 -13.8695 -13.7347 -13.7347 -13.7347 -13.7347 -6.4436 -6.4436 -6.4433 -6.4433 -6.1961 -6.1961 -6.1954 -6.1954 -4.8558 -4.8558 -4.8512 -4.8512 -4.6788 -4.6788 -4.6742 -4.6742 -4.3575 -4.3575 -4.3557 -4.3557 -4.0859 -4.0859 -4.0735 -4.0735 -0.9532 -0.9532 -0.9206 -0.9206 -0.6609 -0.6609 -0.6567 -0.6567 -0.5571 -0.5571 -0.5541 -0.5541 -0.3144 -0.3144 -0.2722 -0.2722 3.1270 3.1270 3.1343 3.1343 3.2163 3.2163 3.2221 3.2221 9.7013 9.7013 9.7058 9.7058 k = 0.5000 0.3693 0.0539 ( 6776 PWs) bands (ev): -24.0305 -24.0305 -24.0304 -24.0304 -23.9843 -23.9843 -23.9842 -23.9842 -13.8713 -13.8713 -13.8713 -13.8713 -13.7330 -13.7330 -13.7329 -13.7329 -6.4454 -6.4454 -6.4451 -6.4451 -6.1931 -6.1931 -6.1925 -6.1925 -4.8623 -4.8623 -4.8577 -4.8577 -4.6801 -4.6801 -4.6763 -4.6763 -4.3583 -4.3583 -4.3566 -4.3566 -4.0747 -4.0747 -4.0635 -4.0635 -0.9536 -0.9536 -0.9223 -0.9223 -0.6583 -0.6583 -0.6543 -0.6543 -0.5642 -0.5642 -0.5586 -0.5586 -0.3139 -0.3139 -0.2732 -0.2732 3.1229 3.1229 3.1296 3.1296 3.2185 3.2185 3.2239 3.2239 9.7423 9.7423 9.7471 9.7471 k = 0.5000 0.3660 0.0411 ( 6778 PWs) bands (ev): -24.0316 -24.0316 -24.0316 -24.0316 -23.9831 -23.9831 -23.9831 -23.9831 -13.8729 -13.8729 -13.8729 -13.8729 -13.7313 -13.7313 -13.7313 -13.7313 -6.4471 -6.4471 -6.4468 -6.4468 -6.1904 -6.1904 -6.1897 -6.1897 -4.8686 -4.8686 -4.8643 -4.8643 -4.6811 -4.6811 -4.6780 -4.6780 -4.3590 -4.3590 -4.3574 -4.3574 -4.0641 -4.0641 -4.0540 -4.0540 -0.9535 -0.9535 -0.9237 -0.9237 -0.6617 -0.6617 -0.6497 -0.6497 -0.5720 -0.5720 -0.5581 -0.5581 -0.3139 -0.3139 -0.2750 -0.2750 3.1190 3.1190 3.1251 3.1251 3.2205 3.2205 3.2256 3.2256 9.7850 9.7850 9.7902 9.7902 k = 0.5000 0.3627 0.0284 ( 6770 PWs) bands (ev): -24.0326 -24.0326 -24.0326 -24.0326 -23.9820 -23.9820 -23.9820 -23.9820 -13.8744 -13.8744 -13.8744 -13.8744 -13.7298 -13.7298 -13.7297 -13.7297 -6.4487 -6.4487 -6.4484 -6.4484 -6.1878 -6.1878 -6.1872 -6.1872 -4.8747 -4.8747 -4.8707 -4.8707 -4.6818 -4.6818 -4.6792 -4.6792 -4.3596 -4.3596 -4.3582 -4.3582 -4.0542 -4.0542 -4.0451 -4.0451 -0.9530 -0.9530 -0.9249 -0.9249 -0.6662 -0.6662 -0.6478 -0.6478 -0.5767 -0.5767 -0.5561 -0.5561 -0.3141 -0.3141 -0.2774 -0.2774 3.1153 3.1153 3.1208 3.1208 3.2224 3.2224 3.2271 3.2271 9.8291 9.8291 9.8346 9.8346 k = 0.5000 0.3594 0.0156 ( 6772 PWs) bands (ev): -24.0336 -24.0336 -24.0336 -24.0336 -23.9811 -23.9811 -23.9811 -23.9811 -13.8758 -13.8758 -13.8758 -13.8758 -13.7284 -13.7284 -13.7283 -13.7283 -6.4502 -6.4502 -6.4498 -6.4498 -6.1855 -6.1855 -6.1849 -6.1849 -4.8805 -4.8805 -4.8767 -4.8767 -4.6822 -4.6822 -4.6801 -4.6801 -4.3602 -4.3602 -4.3589 -4.3589 -4.0450 -4.0450 -4.0370 -4.0370 -0.9521 -0.9521 -0.9260 -0.9260 -0.6714 -0.6714 -0.6491 -0.6491 -0.5779 -0.5779 -0.5532 -0.5532 -0.3145 -0.3145 -0.2802 -0.2802 3.1119 3.1119 3.1168 3.1168 3.2242 3.2242 3.2284 3.2284 9.8739 9.8739 9.8797 9.8797 k = 0.5000 0.3561 0.0029 ( 6776 PWs) bands (ev): -24.0344 -24.0344 -24.0344 -24.0344 -23.9802 -23.9802 -23.9802 -23.9802 -13.8771 -13.8771 -13.8770 -13.8770 -13.7271 -13.7271 -13.7271 -13.7271 -6.4514 -6.4514 -6.4511 -6.4511 -6.1834 -6.1834 -6.1828 -6.1828 -4.8857 -4.8857 -4.8824 -4.8824 -4.6824 -4.6824 -4.6807 -4.6807 -4.3607 -4.3607 -4.3596 -4.3596 -4.0366 -4.0366 -4.0297 -4.0297 -0.9509 -0.9509 -0.9271 -0.9271 -0.6766 -0.6766 -0.6533 -0.6533 -0.5758 -0.5758 -0.5500 -0.5500 -0.3150 -0.3150 -0.2836 -0.2836 3.1088 3.1088 3.1131 3.1131 3.2258 3.2258 3.2295 3.2295 9.9190 9.9190 9.9250 9.9250 k = 0.5000 0.3528-0.0099 ( 6772 PWs) bands (ev): -24.0352 -24.0352 -24.0351 -24.0351 -23.9795 -23.9795 -23.9795 -23.9795 -13.8781 -13.8781 -13.8781 -13.8781 -13.7260 -13.7260 -13.7260 -13.7260 -6.4526 -6.4526 -6.4522 -6.4522 -6.1815 -6.1815 -6.1810 -6.1810 -4.8904 -4.8904 -4.8875 -4.8875 -4.6825 -4.6825 -4.6812 -4.6812 -4.3612 -4.3612 -4.3602 -4.3602 -4.0291 -4.0291 -4.0232 -4.0232 -0.9493 -0.9493 -0.9281 -0.9281 -0.6815 -0.6815 -0.6591 -0.6591 -0.5717 -0.5717 -0.5468 -0.5468 -0.3153 -0.3153 -0.2872 -0.2872 3.1061 3.1061 3.1098 3.1098 3.2272 3.2272 3.2304 3.2304 9.9633 9.9633 9.9695 9.9695 k = 0.5000 0.3495-0.0227 ( 6772 PWs) bands (ev): -24.0358 -24.0358 -24.0358 -24.0358 -23.9788 -23.9788 -23.9788 -23.9788 -13.8791 -13.8791 -13.8790 -13.8790 -13.7251 -13.7251 -13.7250 -13.7250 -6.4535 -6.4535 -6.4532 -6.4532 -6.1800 -6.1800 -6.1795 -6.1795 -4.8945 -4.8945 -4.8920 -4.8920 -4.6825 -4.6825 -4.6814 -4.6814 -4.3615 -4.3615 -4.3607 -4.3607 -4.0226 -4.0226 -4.0177 -4.0177 -0.9475 -0.9475 -0.9292 -0.9292 -0.6857 -0.6857 -0.6656 -0.6656 -0.5666 -0.5666 -0.5440 -0.5440 -0.3154 -0.3154 -0.2910 -0.2910 3.1039 3.1039 3.1069 3.1069 3.2284 3.2284 3.2312 3.2312 10.0060 10.0060 10.0121 10.0121 k = 0.5000 0.3462-0.0354 ( 6766 PWs) bands (ev): -24.0363 -24.0363 -24.0363 -24.0363 -23.9783 -23.9783 -23.9783 -23.9783 -13.8798 -13.8798 -13.8798 -13.8798 -13.7243 -13.7243 -13.7243 -13.7243 -6.4543 -6.4543 -6.4540 -6.4540 -6.1787 -6.1787 -6.1782 -6.1782 -4.8978 -4.8978 -4.8958 -4.8958 -4.6825 -4.6825 -4.6816 -4.6816 -4.3618 -4.3618 -4.3611 -4.3611 -4.0171 -4.0171 -4.0132 -4.0132 -0.9455 -0.9455 -0.9304 -0.9304 -0.6890 -0.6890 -0.6720 -0.6720 -0.5611 -0.5611 -0.5419 -0.5419 -0.3152 -0.3152 -0.2950 -0.2950 3.1020 3.1020 3.1045 3.1045 3.2295 3.2295 3.2317 3.2317 10.0454 10.0454 10.0511 10.0511 k = 0.5000 0.3429-0.0482 ( 6770 PWs) bands (ev): -24.0367 -24.0367 -24.0367 -24.0367 -23.9779 -23.9779 -23.9779 -23.9779 -13.8804 -13.8804 -13.8804 -13.8804 -13.7237 -13.7237 -13.7237 -13.7237 -6.4549 -6.4549 -6.4546 -6.4546 -6.1776 -6.1776 -6.1772 -6.1772 -4.9004 -4.9004 -4.8989 -4.8989 -4.6824 -4.6824 -4.6818 -4.6818 -4.3621 -4.3621 -4.3615 -4.3615 -4.0127 -4.0127 -4.0098 -4.0098 -0.9434 -0.9434 -0.9318 -0.9318 -0.6911 -0.6911 -0.6779 -0.6779 -0.5557 -0.5557 -0.5408 -0.5408 -0.3144 -0.3144 -0.2988 -0.2988 3.1006 3.1006 3.1025 3.1025 3.2304 3.2304 3.2320 3.2320 10.0797 10.0797 10.0846 10.0846 k = 0.5000 0.3396-0.0609 ( 6780 PWs) bands (ev): -24.0370 -24.0370 -24.0370 -24.0370 -23.9776 -23.9776 -23.9776 -23.9776 -13.8809 -13.8809 -13.8808 -13.8808 -13.7233 -13.7233 -13.7232 -13.7232 -6.4554 -6.4554 -6.4551 -6.4551 -6.1769 -6.1769 -6.1765 -6.1765 -4.9022 -4.9022 -4.9012 -4.9012 -4.6823 -4.6823 -4.6819 -4.6819 -4.3622 -4.3622 -4.3618 -4.3618 -4.0094 -4.0094 -4.0074 -4.0074 -0.9412 -0.9412 -0.9334 -0.9334 -0.6921 -0.6921 -0.6831 -0.6831 -0.5509 -0.5509 -0.5407 -0.5407 -0.3131 -0.3131 -0.3025 -0.3025 3.0997 3.0997 3.1009 3.1009 3.2311 3.2311 3.2322 3.2322 10.1068 10.1068 10.1104 10.1104 k = 0.5000 0.3363-0.0737 ( 6778 PWs) bands (ev): -24.0372 -24.0372 -24.0372 -24.0372 -23.9774 -23.9774 -23.9774 -23.9774 -13.8811 -13.8811 -13.8811 -13.8811 -13.7230 -13.7230 -13.7230 -13.7230 -6.4557 -6.4557 -6.4553 -6.4553 -6.1765 -6.1765 -6.1761 -6.1761 -4.9032 -4.9032 -4.9027 -4.9027 -4.6822 -4.6822 -4.6819 -4.6819 -4.3623 -4.3623 -4.3619 -4.3619 -4.0072 -4.0072 -4.0062 -4.0062 -0.9391 -0.9391 -0.9351 -0.9351 -0.6917 -0.6917 -0.6871 -0.6871 -0.5469 -0.5469 -0.5416 -0.5416 -0.3113 -0.3113 -0.3059 -0.3059 3.0992 3.0992 3.0999 3.0999 3.2316 3.2316 3.2322 3.2322 10.1246 10.1246 10.1265 10.1265 k = 0.5000 0.3329-0.0864 ( 6792 PWs) bands (ev): -24.0372 -24.0372 -24.0372 -24.0372 -23.9774 -23.9774 -23.9774 -23.9774 -13.8812 -13.8812 -13.8812 -13.8812 -13.7229 -13.7229 -13.7229 -13.7229 -6.4557 -6.4557 -6.4554 -6.4554 -6.1763 -6.1763 -6.1760 -6.1760 -4.9034 -4.9034 -4.9033 -4.9033 -4.6821 -4.6821 -4.6820 -4.6820 -4.3623 -4.3623 -4.3620 -4.3620 -4.0062 -4.0062 -4.0061 -4.0061 -0.9371 -0.9371 -0.9370 -0.9370 -0.6901 -0.6901 -0.6900 -0.6900 -0.5438 -0.5438 -0.5437 -0.5437 -0.3089 -0.3089 -0.3088 -0.3088 3.0993 3.0993 3.0993 3.0993 3.2320 3.2320 3.2320 3.2320 10.1313 10.1313 10.1314 10.1314 k = 0.5000 0.3329-0.0864 ( 6792 PWs) bands (ev): -24.0372 -24.0372 -24.0372 -24.0372 -23.9774 -23.9774 -23.9774 -23.9774 -13.8812 -13.8812 -13.8812 -13.8812 -13.7229 -13.7229 -13.7229 -13.7229 -6.4557 -6.4557 -6.4554 -6.4554 -6.1763 -6.1763 -6.1760 -6.1760 -4.9034 -4.9034 -4.9033 -4.9033 -4.6821 -4.6821 -4.6820 -4.6820 -4.3623 -4.3623 -4.3620 -4.3620 -4.0062 -4.0062 -4.0061 -4.0061 -0.9371 -0.9371 -0.9370 -0.9370 -0.6901 -0.6901 -0.6900 -0.6900 -0.5438 -0.5438 -0.5437 -0.5437 -0.3089 -0.3089 -0.3088 -0.3088 3.0993 3.0993 3.0993 3.0993 3.2320 3.2320 3.2320 3.2320 10.1313 10.1313 10.1314 10.1314 k = 0.4865 0.3329-0.0864 ( 6782 PWs) bands (ev): -24.0396 -24.0396 -24.0349 -24.0349 -23.9778 -23.9778 -23.9770 -23.9770 -13.8952 -13.8952 -13.8669 -13.8669 -13.7326 -13.7326 -13.7132 -13.7132 -6.4701 -6.4701 -6.4409 -6.4409 -6.1806 -6.1806 -6.1726 -6.1726 -4.9071 -4.9071 -4.8996 -4.8996 -4.6848 -4.6848 -4.6780 -4.6780 -4.3629 -4.3629 -4.3609 -4.3609 -4.0113 -4.0113 -4.0009 -4.0009 -0.9566 -0.9566 -0.9170 -0.9170 -0.6917 -0.6917 -0.6893 -0.6893 -0.5551 -0.5551 -0.5330 -0.5330 -0.3097 -0.3097 -0.3079 -0.3079 3.0883 3.0883 3.1088 3.1088 3.2308 3.2308 3.2334 3.2334 10.0831 10.0831 10.1602 10.1602 k = 0.4730 0.3329-0.0864 ( 6776 PWs) bands (ev): -24.0421 -24.0421 -24.0325 -24.0325 -23.9783 -23.9783 -23.9766 -23.9766 -13.9088 -13.9088 -13.8523 -13.8523 -13.7422 -13.7422 -13.7034 -13.7034 -6.4843 -6.4843 -6.4261 -6.4261 -6.1859 -6.1859 -6.1701 -6.1701 -4.9107 -4.9107 -4.8957 -4.8957 -4.6861 -4.6861 -4.6728 -4.6728 -4.3631 -4.3631 -4.3592 -4.3592 -4.0163 -4.0163 -3.9956 -3.9956 -0.9757 -0.9757 -0.8967 -0.8967 -0.6941 -0.6941 -0.6893 -0.6893 -0.5671 -0.5671 -0.5231 -0.5231 -0.3104 -0.3104 -0.3069 -0.3069 3.0759 3.0759 3.1170 3.1170 3.2297 3.2297 3.2353 3.2353 10.0236 10.0236 10.1614 10.1614 k = 0.4595 0.3329-0.0864 ( 6776 PWs) bands (ev): -24.0445 -24.0445 -24.0303 -24.0303 -23.9788 -23.9788 -23.9763 -23.9763 -13.9222 -13.9222 -13.8375 -13.8375 -13.7518 -13.7518 -13.6937 -13.6937 -6.4983 -6.4983 -6.4113 -6.4113 -6.1921 -6.1921 -6.1684 -6.1684 -4.9143 -4.9143 -4.8918 -4.8918 -4.6859 -4.6859 -4.6663 -4.6663 -4.3629 -4.3629 -4.3569 -4.3569 -4.0212 -4.0212 -3.9902 -3.9902 -0.9943 -0.9943 -0.8761 -0.8761 -0.6972 -0.6972 -0.6903 -0.6903 -0.5797 -0.5797 -0.5140 -0.5140 -0.3110 -0.3110 -0.3057 -0.3057 3.0621 3.0621 3.1237 3.1237 3.2284 3.2284 3.2377 3.2377 9.9574 9.9574 10.1359 10.1359 k = 0.4459 0.3329-0.0864 ( 6778 PWs) bands (ev): -24.0470 -24.0470 -24.0280 -24.0280 -23.9793 -23.9793 -23.9759 -23.9759 -13.9351 -13.9351 -13.8225 -13.8225 -13.7613 -13.7613 -13.6839 -13.6839 -6.5119 -6.5119 -6.3966 -6.3966 -6.1992 -6.1992 -6.1677 -6.1677 -4.9178 -4.9178 -4.8879 -4.8879 -4.6844 -4.6844 -4.6588 -4.6588 -4.3620 -4.3620 -4.3541 -4.3541 -4.0260 -4.0260 -3.9847 -3.9847 -1.0123 -1.0123 -0.8555 -0.8555 -0.7009 -0.7009 -0.6921 -0.6921 -0.5926 -0.5926 -0.5058 -0.5058 -0.3115 -0.3115 -0.3045 -0.3045 3.0468 3.0468 3.1292 3.1292 3.2268 3.2268 3.2409 3.2409 9.8873 9.8873 10.0941 10.0941 k = 0.4324 0.3329-0.0864 ( 6782 PWs) bands (ev): -24.0495 -24.0495 -24.0259 -24.0259 -23.9799 -23.9799 -23.9757 -23.9757 -13.9477 -13.9477 -13.8072 -13.8072 -13.7707 -13.7707 -13.6742 -13.6742 -6.5250 -6.5250 -6.3820 -6.3820 -6.2071 -6.2071 -6.1677 -6.1677 -4.9213 -4.9213 -4.8839 -4.8839 -4.6814 -4.6814 -4.6503 -4.6503 -4.3606 -4.3606 -4.3508 -4.3508 -4.0307 -4.0307 -3.9792 -3.9792 -1.0298 -1.0298 -0.8349 -0.8349 -0.7052 -0.7052 -0.6946 -0.6946 -0.6058 -0.6058 -0.4985 -0.4985 -0.3118 -0.3118 -0.3033 -0.3033 3.0300 3.0300 3.1336 3.1336 3.2248 3.2248 3.2448 3.2448 9.8148 9.8148 10.0449 10.0449 k = 0.4189 0.3329-0.0864 ( 6780 PWs) bands (ev): -24.0521 -24.0521 -24.0238 -24.0238 -23.9804 -23.9804 -23.9754 -23.9754 -13.9598 -13.9598 -13.7919 -13.7919 -13.7800 -13.7800 -13.6645 -13.6645 -6.5377 -6.5377 -6.3677 -6.3677 -6.2157 -6.2157 -6.1686 -6.1686 -4.9247 -4.9247 -4.8800 -4.8800 -4.6771 -4.6771 -4.6409 -4.6409 -4.3587 -4.3587 -4.3469 -4.3469 -4.0353 -4.0353 -3.9737 -3.9737 -1.0467 -1.0467 -0.8150 -0.8150 -0.7098 -0.7098 -0.6975 -0.6975 -0.6192 -0.6192 -0.4923 -0.4923 -0.3120 -0.3120 -0.3020 -0.3020 3.0117 3.0117 3.1371 3.1371 3.2222 3.2222 3.2496 3.2496 9.7408 9.7408 9.9931 9.9931 k = 0.4054 0.3329-0.0864 ( 6784 PWs) bands (ev): -24.0546 -24.0546 -24.0217 -24.0217 -23.9811 -23.9811 -23.9752 -23.9752 -13.9716 -13.9716 -13.7891 -13.7891 -13.7764 -13.7764 -13.6549 -13.6549 -6.5497 -6.5497 -6.3538 -6.3538 -6.2249 -6.2249 -6.1701 -6.1701 -4.9280 -4.9280 -4.8761 -4.8761 -4.6716 -4.6716 -4.6307 -4.6307 -4.3561 -4.3561 -4.3423 -4.3423 -4.0397 -4.0397 -3.9681 -3.9681 -1.0630 -1.0630 -0.7962 -0.7962 -0.7148 -0.7148 -0.7003 -0.7003 -0.6327 -0.6327 -0.4871 -0.4871 -0.3121 -0.3121 -0.3007 -0.3007 2.9919 2.9919 3.1399 3.1399 3.2189 3.2189 3.2550 3.2550 9.6662 9.6662 9.9411 9.9411 k = 0.3919 0.3329-0.0864 ( 6784 PWs) bands (ev): -24.0571 -24.0571 -24.0197 -24.0197 -23.9817 -23.9817 -23.9751 -23.9751 -13.9829 -13.9829 -13.7982 -13.7982 -13.7608 -13.7608 -13.6453 -13.6453 -6.5612 -6.5612 -6.3405 -6.3405 -6.2348 -6.2348 -6.1722 -6.1722 -4.9313 -4.9313 -4.8724 -4.8724 -4.6648 -4.6648 -4.6198 -4.6198 -4.3528 -4.3528 -4.3372 -4.3372 -4.0441 -4.0441 -3.9625 -3.9625 -1.0787 -1.0787 -0.7801 -0.7801 -0.7202 -0.7202 -0.7015 -0.7015 -0.6460 -0.6460 -0.4829 -0.4829 -0.3120 -0.3120 -0.2994 -0.2994 2.9706 2.9706 3.1423 3.1423 3.2149 3.2149 3.2612 3.2612 9.5913 9.5913 9.8901 9.8901 k = 0.3784 0.3329-0.0864 ( 6782 PWs) bands (ev): -24.0597 -24.0597 -24.0178 -24.0178 -23.9823 -23.9823 -23.9749 -23.9749 -13.9938 -13.9938 -13.8071 -13.8071 -13.7452 -13.7452 -13.6358 -13.6358 -6.5721 -6.5721 -6.3278 -6.3278 -6.2452 -6.2452 -6.1747 -6.1747 -4.9345 -4.9345 -4.8689 -4.8689 -4.6569 -4.6569 -4.6084 -4.6084 -4.3489 -4.3489 -4.3313 -4.3313 -4.0483 -4.0483 -3.9569 -3.9569 -1.0938 -1.0938 -0.7687 -0.7687 -0.7263 -0.7263 -0.6991 -0.6991 -0.6589 -0.6589 -0.4798 -0.4798 -0.3119 -0.3119 -0.2980 -0.2980 2.9478 2.9478 3.1446 3.1446 3.2101 3.2101 3.2679 3.2679 9.5166 9.5166 9.8407 9.8407 k = 0.3649 0.3329-0.0864 ( 6772 PWs) bands (ev): -24.0622 -24.0622 -24.0159 -24.0159 -23.9830 -23.9830 -23.9748 -23.9748 -14.0042 -14.0042 -13.8159 -13.8159 -13.7295 -13.7295 -13.6264 -13.6264 -6.5823 -6.5823 -6.3159 -6.3159 -6.2561 -6.2561 -6.1775 -6.1775 -4.9376 -4.9376 -4.8656 -4.8656 -4.6481 -4.6481 -4.5963 -4.5963 -4.3444 -4.3444 -4.3248 -4.3248 -4.0525 -4.0525 -3.9513 -3.9513 -1.1083 -1.1083 -0.7638 -0.7638 -0.7334 -0.7334 -0.6926 -0.6926 -0.6695 -0.6695 -0.4776 -0.4776 -0.3116 -0.3116 -0.2967 -0.2967 2.9235 2.9235 3.1469 3.1469 3.2045 3.2045 3.2752 3.2752 9.4424 9.4424 9.7931 9.7931 k = 0.3514 0.3329-0.0864 ( 6772 PWs) bands (ev): -24.0647 -24.0647 -24.0141 -24.0141 -23.9837 -23.9837 -23.9747 -23.9747 -14.0142 -14.0142 -13.8245 -13.8245 -13.7140 -13.7140 -13.6171 -13.6171 -6.5918 -6.5918 -6.3052 -6.3052 -6.2674 -6.2674 -6.1801 -6.1801 -4.9406 -4.9406 -4.8627 -4.8627 -4.6385 -4.6385 -4.5839 -4.5839 -4.3391 -4.3391 -4.3176 -4.3176 -4.0565 -4.0565 -3.9457 -3.9457 -1.1222 -1.1222 -0.7645 -0.7645 -0.7413 -0.7413 -0.6930 -0.6930 -0.6679 -0.6679 -0.4764 -0.4764 -0.3112 -0.3112 -0.2954 -0.2954 2.8978 2.8978 3.1495 3.1495 3.1980 3.1980 3.2828 3.2828 9.3690 9.3690 9.7476 9.7476 k = 0.3378 0.3329-0.0864 ( 6776 PWs) bands (ev): -24.0672 -24.0672 -24.0124 -24.0124 -23.9843 -23.9843 -23.9747 -23.9747 -14.0237 -14.0237 -13.8329 -13.8329 -13.6985 -13.6985 -13.6080 -13.6080 -6.6005 -6.6005 -6.2958 -6.2958 -6.2790 -6.2790 -6.1824 -6.1824 -4.9436 -4.9436 -4.8601 -4.8601 -4.6281 -4.6281 -4.5710 -4.5710 -4.3333 -4.3333 -4.3097 -4.3097 -4.0604 -4.0604 -3.9402 -3.9402 -1.1355 -1.1355 -0.7689 -0.7689 -0.7498 -0.7498 -0.7034 -0.7034 -0.6530 -0.6530 -0.4759 -0.4759 -0.3107 -0.3107 -0.2941 -0.2941 2.8708 2.8708 3.1526 3.1526 3.1907 3.1907 3.2908 3.2908 9.2967 9.2967 9.7043 9.7043 k = 0.3243 0.3329-0.0864 ( 6772 PWs) bands (ev): -24.0696 -24.0696 -24.0107 -24.0107 -23.9850 -23.9850 -23.9746 -23.9746 -14.0328 -14.0328 -13.8412 -13.8412 -13.6831 -13.6831 -13.5989 -13.5989 -6.6085 -6.6085 -6.2910 -6.2910 -6.2882 -6.2882 -6.1839 -6.1839 -4.9465 -4.9465 -4.8579 -4.8579 -4.6171 -4.6171 -4.5578 -4.5578 -4.3268 -4.3268 -4.3010 -4.3010 -4.0642 -4.0642 -3.9348 -3.9348 -1.1483 -1.1483 -0.7757 -0.7757 -0.7584 -0.7584 -0.7155 -0.7155 -0.6351 -0.6351 -0.4762 -0.4762 -0.3101 -0.3101 -0.2929 -0.2929 2.8424 2.8424 3.1562 3.1562 3.1827 3.1827 3.2991 3.2991 9.2257 9.2257 9.6630 9.6630 k = 0.3108 0.3329-0.0864 ( 6784 PWs) bands (ev): -24.0720 -24.0720 -24.0092 -24.0092 -23.9858 -23.9858 -23.9746 -23.9746 -14.0414 -14.0414 -13.8492 -13.8492 -13.6680 -13.6680 -13.5901 -13.5901 -6.6158 -6.6158 -6.3031 -6.3031 -6.2827 -6.2827 -6.1842 -6.1842 -4.9493 -4.9493 -4.8562 -4.8562 -4.6056 -4.6056 -4.5443 -4.5443 -4.3197 -4.3197 -4.2918 -4.2918 -4.0679 -4.0679 -3.9295 -3.9295 -1.1606 -1.1606 -0.7844 -0.7844 -0.7665 -0.7665 -0.7276 -0.7276 -0.6166 -0.6166 -0.4769 -0.4769 -0.3094 -0.3094 -0.2917 -0.2917 2.8128 2.8128 3.1604 3.1604 3.1739 3.1739 3.3076 3.3076 9.1561 9.1561 9.6239 9.6239 k = 0.2973 0.3329-0.0864 ( 6780 PWs) bands (ev): -24.0744 -24.0744 -24.0077 -24.0077 -23.9864 -23.9864 -23.9746 -23.9746 -14.0496 -14.0496 -13.8571 -13.8571 -13.6530 -13.6530 -13.5814 -13.5814 -6.6222 -6.6222 -6.3155 -6.3155 -6.2795 -6.2795 -6.1831 -6.1831 -4.9521 -4.9521 -4.8550 -4.8550 -4.5936 -4.5936 -4.5307 -4.5307 -4.3121 -4.3121 -4.2819 -4.2819 -4.0714 -4.0714 -3.9242 -3.9242 -1.1723 -1.1723 -0.7948 -0.7948 -0.7739 -0.7739 -0.7395 -0.7395 -0.5987 -0.5987 -0.4776 -0.4776 -0.3087 -0.3087 -0.2905 -0.2905 2.7822 2.7822 3.1623 3.1623 3.1675 3.1675 3.3162 3.3162 9.0882 9.0882 9.5867 9.5867 k = 0.2838 0.3329-0.0864 ( 6788 PWs) bands (ev): -24.0767 -24.0767 -24.0062 -24.0062 -23.9871 -23.9871 -23.9747 -23.9747 -14.0572 -14.0572 -13.8647 -13.8647 -13.6384 -13.6384 -13.5729 -13.5729 -6.6279 -6.6279 -6.3279 -6.3279 -6.2786 -6.2786 -6.1805 -6.1805 -4.9549 -4.9549 -4.8542 -4.8542 -4.5814 -4.5814 -4.5169 -4.5169 -4.3040 -4.3040 -4.2715 -4.2715 -4.0749 -4.0749 -3.9191 -3.9191 -1.1834 -1.1834 -0.8065 -0.8065 -0.7806 -0.7806 -0.7510 -0.7510 -0.5823 -0.5823 -0.4778 -0.4778 -0.3078 -0.3078 -0.2893 -0.2893 2.7506 2.7506 3.1531 3.1531 3.1723 3.1723 3.3249 3.3249 9.0221 9.0221 9.5514 9.5514 k = 0.2703 0.3329-0.0864 ( 6786 PWs) bands (ev): -24.0790 -24.0790 -24.0049 -24.0049 -23.9878 -23.9878 -23.9747 -23.9747 -14.0645 -14.0645 -13.8721 -13.8721 -13.6241 -13.6241 -13.5646 -13.5646 -6.6328 -6.6328 -6.3404 -6.3404 -6.2799 -6.2799 -6.1765 -6.1765 -4.9576 -4.9576 -4.8538 -4.8538 -4.5689 -4.5689 -4.5030 -4.5030 -4.2956 -4.2956 -4.2606 -4.2606 -4.0782 -4.0782 -3.9141 -3.9141 -1.1941 -1.1941 -0.8191 -0.8191 -0.7867 -0.7867 -0.7620 -0.7620 -0.5685 -0.5685 -0.4765 -0.4765 -0.3067 -0.3067 -0.2881 -0.2881 2.7182 2.7182 3.1423 3.1423 3.1791 3.1791 3.3336 3.3336 8.9579 8.9579 9.5180 9.5180 k = 0.2568 0.3329-0.0864 ( 6782 PWs) bands (ev): -24.0812 -24.0812 -24.0036 -24.0036 -23.9885 -23.9885 -23.9748 -23.9748 -14.0713 -14.0713 -13.8792 -13.8792 -13.6101 -13.6101 -13.5565 -13.5565 -6.6368 -6.6368 -6.3530 -6.3530 -6.2829 -6.2829 -6.1714 -6.1714 -4.9604 -4.9604 -4.8539 -4.8539 -4.5562 -4.5562 -4.4891 -4.4891 -4.2868 -4.2868 -4.2494 -4.2494 -4.0814 -4.0814 -3.9093 -3.9093 -1.2042 -1.2042 -0.8324 -0.8324 -0.7923 -0.7923 -0.7725 -0.7725 -0.5584 -0.5584 -0.4727 -0.4727 -0.3056 -0.3056 -0.2869 -0.2869 2.6852 2.6852 3.1308 3.1308 3.1868 3.1868 3.3423 3.3423 8.8958 8.8958 9.4863 9.4863 k = 0.2432 0.3329-0.0864 ( 6782 PWs) bands (ev): -24.0833 -24.0833 -24.0024 -24.0024 -23.9892 -23.9892 -23.9749 -23.9749 -14.0776 -14.0776 -13.8861 -13.8861 -13.5967 -13.5967 -13.5486 -13.5486 -6.6401 -6.6401 -6.3655 -6.3655 -6.2872 -6.2872 -6.1657 -6.1657 -4.9631 -4.9631 -4.8544 -4.8544 -4.5435 -4.5435 -4.4753 -4.4753 -4.2779 -4.2779 -4.2379 -4.2379 -4.0845 -4.0845 -3.9046 -3.9046 -1.2137 -1.2137 -0.8461 -0.8461 -0.7975 -0.7975 -0.7824 -0.7824 -0.5530 -0.5530 -0.4655 -0.4655 -0.3043 -0.3043 -0.2857 -0.2857 2.6518 2.6518 3.1189 3.1189 3.1954 3.1954 3.3508 3.3508 8.8360 8.8360 9.4563 9.4563 k = 0.2297 0.3329-0.0864 ( 6778 PWs) bands (ev): -24.0854 -24.0854 -24.0012 -24.0012 -23.9899 -23.9899 -23.9750 -23.9750 -14.0835 -14.0835 -13.8928 -13.8928 -13.5838 -13.5838 -13.5409 -13.5409 -6.6426 -6.6426 -6.3781 -6.3781 -6.2924 -6.2924 -6.1597 -6.1597 -4.9658 -4.9658 -4.8552 -4.8552 -4.5308 -4.5308 -4.4617 -4.4617 -4.2688 -4.2688 -4.2263 -4.2263 -4.0875 -4.0875 -3.9001 -3.9001 -1.2228 -1.2228 -0.8601 -0.8601 -0.8022 -0.8022 -0.7917 -0.7917 -0.5520 -0.5520 -0.4552 -0.4552 -0.3029 -0.3029 -0.2844 -0.2844 2.6182 2.6182 3.1066 3.1066 3.2048 3.2048 3.3591 3.3591 8.7785 8.7785 9.4278 9.4278 k = 0.2162 0.3329-0.0864 ( 6780 PWs) bands (ev): -24.0873 -24.0873 -24.0002 -24.0002 -23.9905 -23.9905 -23.9751 -23.9751 -14.0890 -14.0890 -13.8991 -13.8991 -13.5715 -13.5715 -13.5334 -13.5334 -6.6444 -6.6444 -6.3905 -6.3905 -6.2982 -6.2982 -6.1535 -6.1535 -4.9685 -4.9685 -4.8563 -4.8563 -4.5181 -4.5181 -4.4482 -4.4482 -4.2597 -4.2597 -4.2146 -4.2146 -4.0903 -4.0903 -3.8957 -3.8957 -1.2314 -1.2314 -0.8742 -0.8742 -0.8069 -0.8069 -0.7998 -0.7998 -0.5544 -0.5544 -0.4429 -0.4429 -0.3013 -0.3013 -0.2832 -0.2832 2.5845 2.5845 3.0941 3.0941 3.2150 3.2150 3.3672 3.3672 8.7235 8.7235 9.4009 9.4009 k = 0.2027 0.3329-0.0864 ( 6776 PWs) bands (ev): -24.0892 -24.0892 -23.9992 -23.9992 -23.9911 -23.9911 -23.9752 -23.9752 -14.0941 -14.0941 -13.9052 -13.9052 -13.5598 -13.5598 -13.5260 -13.5260 -6.6454 -6.6454 -6.4028 -6.4028 -6.3043 -6.3043 -6.1475 -6.1475 -4.9711 -4.9711 -4.8576 -4.8576 -4.5056 -4.5056 -4.4351 -4.4351 -4.2506 -4.2506 -4.2031 -4.2031 -4.0930 -4.0930 -3.8916 -3.8916 -1.2394 -1.2394 -0.8882 -0.8882 -0.8125 -0.8125 -0.8059 -0.8059 -0.5589 -0.5589 -0.4297 -0.4297 -0.2995 -0.2995 -0.2818 -0.2818 2.5512 2.5512 3.0814 3.0814 3.2258 3.2258 3.3748 3.3748 8.6712 8.6712 9.3755 9.3755 k = 0.1892 0.3329-0.0864 ( 6782 PWs) bands (ev): -24.0910 -24.0910 -23.9982 -23.9982 -23.9917 -23.9917 -23.9753 -23.9753 -14.0988 -14.0988 -13.9109 -13.9109 -13.5490 -13.5490 -13.5188 -13.5188 -6.6456 -6.6456 -6.4150 -6.4150 -6.3105 -6.3105 -6.1416 -6.1416 -4.9738 -4.9738 -4.8592 -4.8592 -4.4933 -4.4933 -4.4223 -4.4223 -4.2417 -4.2417 -4.1918 -4.1918 -4.0955 -4.0955 -3.8877 -3.8877 -1.2469 -1.2469 -0.9021 -0.9021 -0.8194 -0.8194 -0.8097 -0.8097 -0.5649 -0.5649 -0.4164 -0.4164 -0.2974 -0.2974 -0.2804 -0.2804 2.5183 2.5183 3.0688 3.0688 3.2373 3.2373 3.3820 3.3820 8.6215 8.6215 9.3516 9.3516 k = 0.1757 0.3329-0.0864 ( 6788 PWs) bands (ev): -24.0927 -24.0927 -23.9974 -23.9974 -23.9923 -23.9923 -23.9755 -23.9755 -14.1031 -14.1031 -13.9164 -13.9164 -13.5390 -13.5390 -13.5116 -13.5116 -6.6452 -6.6452 -6.4270 -6.4270 -6.3167 -6.3167 -6.1361 -6.1361 -4.9764 -4.9764 -4.8609 -4.8609 -4.4813 -4.4813 -4.4099 -4.4099 -4.2331 -4.2331 -4.1809 -4.1809 -4.0979 -4.0979 -3.8840 -3.8840 -1.2539 -1.2539 -0.9156 -0.9156 -0.8265 -0.8265 -0.8122 -0.8122 -0.5718 -0.5718 -0.4036 -0.4036 -0.2952 -0.2952 -0.2789 -0.2789 2.4862 2.4862 3.0564 3.0564 3.2492 3.2492 3.3886 3.3886 8.5748 8.5748 9.3291 9.3291 k = 0.1622 0.3329-0.0864 ( 6780 PWs) bands (ev): -24.0943 -24.0943 -23.9966 -23.9966 -23.9928 -23.9928 -23.9756 -23.9756 -14.1069 -14.1069 -13.9215 -13.9215 -13.5300 -13.5300 -13.5045 -13.5045 -6.6440 -6.6440 -6.4388 -6.4388 -6.3229 -6.3229 -6.1308 -6.1308 -4.9789 -4.9789 -4.8627 -4.8627 -4.4697 -4.4697 -4.3981 -4.3981 -4.2247 -4.2247 -4.1704 -4.1704 -4.1001 -4.1001 -3.8806 -3.8806 -1.2603 -1.2603 -0.9288 -0.9288 -0.8332 -0.8332 -0.8140 -0.8140 -0.5791 -0.5791 -0.3917 -0.3917 -0.2927 -0.2927 -0.2773 -0.2773 2.4551 2.4551 3.0442 3.0442 3.2615 3.2615 3.3946 3.3946 8.5309 8.5309 9.3080 9.3080 k = 0.1486 0.3329-0.0864 ( 6776 PWs) bands (ev): -24.0958 -24.0958 -23.9959 -23.9959 -23.9933 -23.9933 -23.9757 -23.9757 -14.1105 -14.1105 -13.9262 -13.9262 -13.5220 -13.5220 -13.4975 -13.4975 -6.6422 -6.6422 -6.4503 -6.4503 -6.3288 -6.3288 -6.1260 -6.1260 -4.9813 -4.9813 -4.8645 -4.8645 -4.4585 -4.4585 -4.3869 -4.3869 -4.2168 -4.2168 -4.1605 -4.1605 -4.1022 -4.1022 -3.8774 -3.8774 -1.2663 -1.2663 -0.9414 -0.9414 -0.8395 -0.8395 -0.8151 -0.8151 -0.5866 -0.5866 -0.3808 -0.3808 -0.2901 -0.2901 -0.2754 -0.2754 2.4252 2.4252 3.0324 3.0324 3.2740 3.2740 3.3999 3.3999 8.4902 8.4902 9.2884 9.2884 k = 0.1351 0.3329-0.0864 ( 6778 PWs) bands (ev): -24.0971 -24.0971 -23.9954 -23.9954 -23.9936 -23.9936 -23.9758 -23.9758 -14.1136 -14.1136 -13.9306 -13.9306 -13.5150 -13.5150 -13.4906 -13.4906 -6.6398 -6.6398 -6.4616 -6.4616 -6.3344 -6.3344 -6.1216 -6.1216 -4.9836 -4.9836 -4.8663 -4.8663 -4.4480 -4.4480 -4.3764 -4.3764 -4.2093 -4.2093 -4.1511 -4.1511 -4.1041 -4.1041 -3.8744 -3.8744 -1.2717 -1.2717 -0.9533 -0.9533 -0.8453 -0.8453 -0.8158 -0.8158 -0.5941 -0.5941 -0.3713 -0.3713 -0.2874 -0.2874 -0.2732 -0.2732 2.3969 2.3969 3.0211 3.0211 3.2867 3.2867 3.4043 3.4043 8.4526 8.4526 9.2703 9.2703 k = 0.1216 0.3329-0.0864 ( 6770 PWs) bands (ev): -24.0984 -24.0984 -23.9950 -23.9950 -23.9938 -23.9938 -23.9759 -23.9759 -14.1164 -14.1164 -13.9346 -13.9346 -13.5090 -13.5090 -13.4839 -13.4839 -6.6369 -6.6369 -6.4726 -6.4726 -6.3396 -6.3396 -6.1175 -6.1175 -4.9858 -4.9858 -4.8681 -4.8681 -4.4381 -4.4381 -4.3666 -4.3666 -4.2023 -4.2023 -4.1425 -4.1425 -4.1058 -4.1058 -3.8717 -3.8717 -1.2766 -1.2766 -0.9645 -0.9645 -0.8506 -0.8506 -0.8161 -0.8161 -0.6014 -0.6014 -0.3630 -0.3630 -0.2848 -0.2848 -0.2706 -0.2706 2.3703 2.3703 3.0105 3.0105 3.2994 3.2994 3.4079 3.4079 8.4182 8.4182 9.2537 9.2537 k = 0.1081 0.3329-0.0864 ( 6774 PWs) bands (ev): -24.0995 -24.0995 -23.9950 -23.9950 -23.9937 -23.9937 -23.9760 -23.9760 -14.1189 -14.1189 -13.9382 -13.9382 -13.5038 -13.5038 -13.4777 -13.4777 -6.6334 -6.6334 -6.4832 -6.4832 -6.3444 -6.3444 -6.1139 -6.1139 -4.9878 -4.9878 -4.8698 -4.8698 -4.4290 -4.4290 -4.3576 -4.3576 -4.1959 -4.1959 -4.1347 -4.1347 -4.1073 -4.1073 -3.8692 -3.8692 -1.2809 -1.2809 -0.9748 -0.9748 -0.8554 -0.8554 -0.8160 -0.8160 -0.6083 -0.6083 -0.3561 -0.3561 -0.2825 -0.2825 -0.2676 -0.2676 2.3458 2.3458 3.0006 3.0006 3.3119 3.3119 3.4106 3.4106 8.3872 8.3872 9.2387 9.2387 k = 0.0946 0.3329-0.0864 ( 6782 PWs) bands (ev): -24.1005 -24.1005 -23.9953 -23.9953 -23.9933 -23.9933 -23.9761 -23.9761 -14.1211 -14.1211 -13.9415 -13.9415 -13.4993 -13.4993 -13.4719 -13.4719 -6.6295 -6.6295 -6.4934 -6.4934 -6.3488 -6.3488 -6.1108 -6.1108 -4.9897 -4.9897 -4.8714 -4.8714 -4.4207 -4.4207 -4.3495 -4.3495 -4.1902 -4.1902 -4.1277 -4.1277 -4.1086 -4.1086 -3.8671 -3.8671 -1.2848 -1.2848 -0.9841 -0.9841 -0.8597 -0.8597 -0.8158 -0.8158 -0.6147 -0.6147 -0.3505 -0.3505 -0.2805 -0.2805 -0.2642 -0.2642 2.3236 2.3236 2.9916 2.9916 3.3241 3.3241 3.4122 3.4122 8.3597 8.3597 9.2253 9.2253 k = 0.0811 0.3329-0.0864 ( 6780 PWs) bands (ev): -24.1014 -24.1014 -23.9955 -23.9955 -23.9930 -23.9930 -23.9762 -23.9762 -14.1229 -14.1229 -13.9443 -13.9443 -13.4956 -13.4956 -13.4667 -13.4667 -6.6252 -6.6252 -6.5031 -6.5031 -6.3527 -6.3527 -6.1080 -6.1080 -4.9913 -4.9913 -4.8729 -4.8729 -4.4133 -4.4133 -4.3424 -4.3424 -4.1851 -4.1851 -4.1217 -4.1217 -4.1097 -4.1097 -3.8652 -3.8652 -1.2881 -1.2881 -0.9924 -0.9924 -0.8634 -0.8634 -0.8153 -0.8153 -0.6205 -0.6205 -0.3459 -0.3459 -0.2789 -0.2789 -0.2607 -0.2607 2.3038 2.3038 2.9836 2.9836 3.3360 3.3360 3.4128 3.4128 8.3357 8.3357 9.2136 9.2136 k = 0.0676 0.3329-0.0864 ( 6772 PWs) bands (ev): -24.1021 -24.1021 -23.9957 -23.9957 -23.9927 -23.9927 -23.9763 -23.9763 -14.1245 -14.1245 -13.9467 -13.9467 -13.4924 -13.4924 -13.4621 -13.4621 -6.6208 -6.6208 -6.5121 -6.5121 -6.3560 -6.3560 -6.1057 -6.1057 -4.9927 -4.9927 -4.8742 -4.8742 -4.4069 -4.4069 -4.3362 -4.3362 -4.1808 -4.1808 -4.1167 -4.1167 -4.1104 -4.1104 -3.8636 -3.8636 -1.2909 -1.2909 -0.9995 -0.9995 -0.8665 -0.8665 -0.8147 -0.8147 -0.6256 -0.6256 -0.3423 -0.3423 -0.2777 -0.2777 -0.2572 -0.2572 2.2867 2.2867 2.9767 2.9767 3.3473 3.3473 3.4123 3.4123 8.3152 8.3152 9.2036 9.2036 k = 0.0541 0.3329-0.0864 ( 6770 PWs) bands (ev): -24.1028 -24.1028 -23.9960 -23.9960 -23.9924 -23.9924 -23.9763 -23.9763 -14.1257 -14.1257 -13.9487 -13.9487 -13.4899 -13.4899 -13.4584 -13.4584 -6.6163 -6.6163 -6.5203 -6.5203 -6.3587 -6.3587 -6.1038 -6.1038 -4.9939 -4.9939 -4.8752 -4.8752 -4.4016 -4.4016 -4.3311 -4.3311 -4.1772 -4.1772 -4.1135 -4.1135 -4.1101 -4.1101 -3.8622 -3.8622 -1.2932 -1.2932 -1.0054 -1.0054 -0.8691 -0.8691 -0.8142 -0.8142 -0.6298 -0.6298 -0.3396 -0.3396 -0.2767 -0.2767 -0.2540 -0.2540 2.2724 2.2724 2.9709 2.9709 3.3580 3.3580 3.4107 3.4107 8.2984 8.2984 9.1953 9.1953 k = 0.0405 0.3329-0.0864 ( 6776 PWs) bands (ev): -24.1032 -24.1032 -23.9961 -23.9961 -23.9922 -23.9922 -23.9764 -23.9764 -14.1267 -14.1267 -13.9503 -13.9503 -13.4880 -13.4880 -13.4554 -13.4554 -6.6121 -6.6121 -6.5274 -6.5274 -6.3609 -6.3609 -6.1023 -6.1023 -4.9949 -4.9949 -4.8761 -4.8761 -4.3974 -4.3974 -4.3271 -4.3271 -4.1744 -4.1744 -4.1130 -4.1130 -4.1078 -4.1078 -3.8612 -3.8612 -1.2950 -1.2950 -1.0101 -1.0101 -0.8712 -0.8712 -0.8137 -0.8137 -0.6332 -0.6332 -0.3376 -0.3376 -0.2759 -0.2759 -0.2514 -0.2514 2.2612 2.2612 2.9663 2.9663 3.3679 3.3679 3.4080 3.4080 8.2852 8.2852 9.1888 9.1888 k = 0.0270 0.3329-0.0864 ( 6764 PWs) bands (ev): -24.1036 -24.1036 -23.9962 -23.9962 -23.9921 -23.9921 -23.9764 -23.9764 -14.1273 -14.1273 -13.9514 -13.9514 -13.4866 -13.4866 -13.4532 -13.4532 -6.6085 -6.6085 -6.5330 -6.5330 -6.3625 -6.3625 -6.1013 -6.1013 -4.9955 -4.9955 -4.8767 -4.8767 -4.3944 -4.3944 -4.3242 -4.3242 -4.1723 -4.1723 -4.1132 -4.1132 -4.1056 -4.1056 -3.8605 -3.8605 -1.2962 -1.2962 -1.0135 -1.0135 -0.8726 -0.8726 -0.8133 -0.8133 -0.6357 -0.6357 -0.3362 -0.3362 -0.2754 -0.2754 -0.2494 -0.2494 2.2531 2.2531 2.9630 2.9630 3.3770 3.3770 3.4041 3.4041 8.2758 8.2758 9.1842 9.1842 k = 0.0135 0.3329-0.0864 ( 6766 PWs) bands (ev): -24.1038 -24.1038 -23.9963 -23.9963 -23.9920 -23.9920 -23.9764 -23.9764 -14.1277 -14.1277 -13.9521 -13.9521 -13.4858 -13.4858 -13.4519 -13.4519 -6.6060 -6.6060 -6.5367 -6.5367 -6.3634 -6.3634 -6.1007 -6.1007 -4.9959 -4.9959 -4.8771 -4.8771 -4.3925 -4.3925 -4.3225 -4.3225 -4.1711 -4.1711 -4.1134 -4.1134 -4.1042 -4.1042 -3.8600 -3.8600 -1.2970 -1.2970 -1.0155 -1.0155 -0.8735 -0.8735 -0.8130 -0.8130 -0.6372 -0.6372 -0.3354 -0.3354 -0.2751 -0.2751 -0.2481 -0.2481 2.2482 2.2482 2.9610 2.9610 3.3849 3.3849 3.3993 3.3993 8.2702 8.2702 9.1814 9.1814 k = 0.0000 0.3329-0.0864 ( 6766 PWs) bands (ev): -24.1039 -24.1039 -23.9963 -23.9963 -23.9919 -23.9919 -23.9764 -23.9764 -14.1279 -14.1279 -13.9523 -13.9523 -13.4855 -13.4855 -13.4515 -13.4515 -6.6051 -6.6051 -6.5380 -6.5380 -6.3637 -6.3637 -6.1005 -6.1005 -4.9961 -4.9961 -4.8772 -4.8772 -4.3919 -4.3919 -4.3219 -4.3219 -4.1707 -4.1707 -4.1135 -4.1135 -4.1037 -4.1037 -3.8599 -3.8599 -1.2972 -1.2972 -1.0162 -1.0162 -0.8738 -0.8738 -0.8129 -0.8129 -0.6377 -0.6377 -0.3351 -0.3351 -0.2750 -0.2750 -0.2477 -0.2477 2.2465 2.2465 2.9603 2.9603 3.3899 3.3899 3.3954 3.3954 8.2683 8.2683 9.1805 9.1805 k = 0.0000 0.3329-0.0864 ( 6766 PWs) bands (ev): -24.1039 -24.1039 -23.9963 -23.9963 -23.9919 -23.9919 -23.9764 -23.9764 -14.1279 -14.1279 -13.9523 -13.9523 -13.4855 -13.4855 -13.4515 -13.4515 -6.6051 -6.6051 -6.5380 -6.5380 -6.3637 -6.3637 -6.1005 -6.1005 -4.9961 -4.9961 -4.8772 -4.8772 -4.3919 -4.3919 -4.3219 -4.3219 -4.1707 -4.1707 -4.1135 -4.1135 -4.1037 -4.1037 -3.8599 -3.8599 -1.2972 -1.2972 -1.0162 -1.0162 -0.8738 -0.8738 -0.8129 -0.8129 -0.6377 -0.6377 -0.3351 -0.3351 -0.2750 -0.2750 -0.2477 -0.2477 2.2465 2.2465 2.9603 2.9603 3.3899 3.3899 3.3954 3.3954 8.2683 8.2683 9.1805 9.1805 k = 0.0000 0.3363-0.0737 ( 6762 PWs) bands (ev): -24.1038 -24.1038 -23.9966 -23.9966 -23.9919 -23.9919 -23.9763 -23.9763 -14.1277 -14.1277 -13.9524 -13.9524 -13.4855 -13.4855 -13.4515 -13.4515 -6.6053 -6.6053 -6.5380 -6.5380 -6.3636 -6.3636 -6.1004 -6.1004 -4.9953 -4.9953 -4.8764 -4.8764 -4.3920 -4.3920 -4.3220 -4.3220 -4.1721 -4.1721 -4.1130 -4.1130 -4.1037 -4.1037 -3.8608 -3.8608 -1.2964 -1.2964 -1.0159 -1.0159 -0.8738 -0.8738 -0.8137 -0.8137 -0.6374 -0.6374 -0.3351 -0.3351 -0.2761 -0.2761 -0.2478 -0.2478 2.2472 2.2472 2.9599 2.9599 3.3900 3.3900 3.3953 3.3953 8.2712 8.2712 9.1821 9.1821 k = 0.0000 0.3396-0.0609 ( 6761 PWs) bands (ev): -24.1035 -24.1035 -23.9973 -23.9973 -23.9918 -23.9918 -23.9759 -23.9759 -14.1272 -14.1272 -13.9529 -13.9529 -13.4855 -13.4855 -13.4517 -13.4517 -6.6059 -6.6059 -6.5379 -6.5379 -6.3631 -6.3631 -6.1004 -6.1004 -4.9931 -4.9931 -4.8739 -4.8739 -4.3920 -4.3920 -4.3222 -4.3222 -4.1761 -4.1761 -4.1118 -4.1118 -4.1035 -4.1035 -3.8636 -3.8636 -1.2939 -1.2939 -1.0149 -1.0149 -0.8736 -0.8736 -0.8159 -0.8159 -0.6365 -0.6365 -0.3349 -0.3349 -0.2794 -0.2794 -0.2480 -0.2480 2.2494 2.2494 2.9588 2.9588 3.3904 3.3904 3.3952 3.3952 8.2799 8.2799 9.1872 9.1872 k = 0.0000 0.3429-0.0482 ( 6766 PWs) bands (ev): -24.1031 -24.1031 -23.9985 -23.9985 -23.9917 -23.9917 -23.9754 -23.9754 -14.1263 -14.1263 -13.9538 -13.9538 -13.4853 -13.4853 -13.4519 -13.4519 -6.6068 -6.6068 -6.5378 -6.5378 -6.3624 -6.3624 -6.1003 -6.1003 -4.9895 -4.9895 -4.8697 -4.8697 -4.3922 -4.3922 -4.3225 -4.3225 -4.1825 -4.1825 -4.1101 -4.1101 -4.1032 -4.1032 -3.8682 -3.8682 -1.2898 -1.2898 -1.0133 -1.0133 -0.8735 -0.8735 -0.8196 -0.8196 -0.6351 -0.6351 -0.3347 -0.3347 -0.2849 -0.2849 -0.2484 -0.2484 2.2530 2.2530 2.9568 2.9568 3.3909 3.3909 3.3950 3.3950 8.2944 8.2944 9.1955 9.1955 k = 0.0000 0.3462-0.0354 ( 6765 PWs) bands (ev): -24.1025 -24.1025 -24.0000 -24.0000 -23.9914 -23.9914 -23.9747 -23.9747 -14.1251 -14.1251 -13.9549 -13.9549 -13.4852 -13.4852 -13.4522 -13.4522 -6.6081 -6.6081 -6.5376 -6.5376 -6.3613 -6.3613 -6.1003 -6.1003 -4.9844 -4.9844 -4.8639 -4.8639 -4.3924 -4.3924 -4.3229 -4.3229 -4.1909 -4.1909 -4.1082 -4.1082 -4.1028 -4.1028 -3.8746 -3.8746 -1.2841 -1.2841 -1.0110 -1.0110 -0.8732 -0.8732 -0.8245 -0.8245 -0.6333 -0.6333 -0.3345 -0.3345 -0.2924 -0.2924 -0.2490 -0.2490 2.2580 2.2580 2.9541 2.9541 3.3916 3.3916 3.3947 3.3947 8.3146 8.3146 9.2072 9.2072 k = 0.0000 0.3495-0.0227 ( 6777 PWs) bands (ev): -24.1017 -24.1017 -24.0018 -24.0018 -23.9912 -23.9912 -23.9740 -23.9740 -14.1236 -14.1236 -13.9564 -13.9564 -13.4850 -13.4850 -13.4526 -13.4526 -6.6097 -6.6097 -6.5373 -6.5373 -6.3600 -6.3600 -6.1002 -6.1002 -4.9779 -4.9779 -4.8565 -4.8565 -4.3928 -4.3928 -4.3235 -4.3235 -4.2011 -4.2011 -4.1065 -4.1065 -4.1021 -4.1021 -3.8827 -3.8827 -1.2768 -1.2768 -1.0082 -1.0082 -0.8728 -0.8728 -0.8305 -0.8305 -0.6313 -0.6313 -0.3346 -0.3346 -0.3016 -0.3016 -0.2497 -0.2497 2.2644 2.2644 2.9507 2.9507 3.3921 3.3921 3.3947 3.3947 8.3404 8.3404 9.2222 9.2222 k = 0.0000 0.3528-0.0099 ( 6783 PWs) bands (ev): -24.1007 -24.1007 -24.0039 -24.0039 -23.9908 -23.9908 -23.9733 -23.9733 -14.1217 -14.1217 -13.9582 -13.9582 -13.4848 -13.4848 -13.4531 -13.4531 -6.6116 -6.6116 -6.5369 -6.5369 -6.3584 -6.3584 -6.1001 -6.1001 -4.9699 -4.9699 -4.8475 -4.8475 -4.3932 -4.3932 -4.3241 -4.3241 -4.2127 -4.2127 -4.1051 -4.1051 -4.1012 -4.1012 -3.8926 -3.8926 -1.2679 -1.2679 -1.0047 -1.0047 -0.8724 -0.8724 -0.8374 -0.8374 -0.6293 -0.6293 -0.3356 -0.3356 -0.3116 -0.3116 -0.2506 -0.2506 2.2720 2.2720 2.9464 2.9464 3.3922 3.3922 3.3953 3.3953 8.3717 8.3717 9.2404 9.2404 k = 0.0000 0.3561 0.0029 ( 6781 PWs) bands (ev): -24.0996 -24.0996 -24.0061 -24.0061 -23.9905 -23.9905 -23.9725 -23.9725 -14.1196 -14.1196 -13.9603 -13.9603 -13.4845 -13.4845 -13.4537 -13.4537 -6.6139 -6.6139 -6.5365 -6.5365 -6.3565 -6.3565 -6.1001 -6.1001 -4.9606 -4.9606 -4.8370 -4.8370 -4.3938 -4.3938 -4.3249 -4.3249 -4.2258 -4.2258 -4.1041 -4.1041 -4.1002 -4.1002 -3.9042 -3.9042 -1.2574 -1.2574 -1.0005 -1.0005 -0.8719 -0.8719 -0.8451 -0.8451 -0.6273 -0.6273 -0.3404 -0.3404 -0.3198 -0.3198 -0.2517 -0.2517 2.2810 2.2810 2.9415 2.9415 3.3917 3.3917 3.3965 3.3965 8.4083 8.4083 9.2617 9.2617 k = 0.0000 0.3594 0.0156 ( 6782 PWs) bands (ev): -24.0983 -24.0983 -24.0085 -24.0085 -23.9900 -23.9900 -23.9719 -23.9719 -14.1171 -14.1171 -13.9627 -13.9627 -13.4841 -13.4841 -13.4544 -13.4544 -6.6164 -6.6164 -6.5360 -6.5360 -6.3544 -6.3544 -6.1000 -6.1000 -4.9499 -4.9499 -4.8250 -4.8250 -4.3945 -4.3945 -4.3256 -4.3256 -4.2401 -4.2401 -4.1034 -4.1034 -4.0990 -4.0990 -3.9172 -3.9172 -1.2456 -1.2456 -0.9958 -0.9958 -0.8714 -0.8714 -0.8532 -0.8532 -0.6256 -0.6256 -0.3519 -0.3519 -0.3230 -0.3230 -0.2529 -0.2529 2.2912 2.2912 2.9358 2.9358 3.3910 3.3910 3.3981 3.3981 8.4502 8.4502 9.2862 9.2862 k = 0.0000 0.3627 0.0284 ( 6789 PWs) bands (ev): -24.0969 -24.0969 -24.0111 -24.0111 -23.9895 -23.9895 -23.9712 -23.9712 -14.1142 -14.1142 -13.9654 -13.9654 -13.4838 -13.4838 -13.4551 -13.4551 -6.6191 -6.6191 -6.5355 -6.5355 -6.3519 -6.3519 -6.1001 -6.1001 -4.9379 -4.9379 -4.8116 -4.8116 -4.3955 -4.3955 -4.3265 -4.3265 -4.2556 -4.2556 -4.1028 -4.1028 -4.0980 -4.0980 -3.9318 -3.9318 -1.2323 -1.2323 -0.9905 -0.9905 -0.8712 -0.8712 -0.8614 -0.8614 -0.6241 -0.6241 -0.3681 -0.3681 -0.3230 -0.3230 -0.2543 -0.2543 2.3025 2.3025 2.9293 2.9293 3.3900 3.3900 3.3999 3.3999 8.4971 8.4971 9.3138 9.3138 k = 0.0000 0.3660 0.0411 ( 6791 PWs) bands (ev): -24.0953 -24.0953 -24.0138 -24.0138 -23.9890 -23.9890 -23.9707 -23.9707 -14.1111 -14.1111 -13.9684 -13.9684 -13.4834 -13.4834 -13.4559 -13.4559 -6.6220 -6.6220 -6.5349 -6.5349 -6.3492 -6.3492 -6.1002 -6.1002 -4.9246 -4.9246 -4.7968 -4.7968 -4.3968 -4.3968 -4.3273 -4.3273 -4.2720 -4.2720 -4.1024 -4.1024 -4.0971 -4.0971 -3.9478 -3.9478 -1.2176 -1.2176 -0.9847 -0.9847 -0.8739 -0.8739 -0.8668 -0.8668 -0.6231 -0.6231 -0.3869 -0.3869 -0.3218 -0.3218 -0.2559 -0.2559 2.3148 2.3148 2.9222 2.9222 3.3889 3.3889 3.4019 3.4019 8.5489 8.5489 9.3442 9.3442 k = 0.0000 0.3693 0.0539 ( 6778 PWs) bands (ev): -24.0935 -24.0935 -24.0167 -24.0167 -23.9884 -23.9884 -23.9702 -23.9702 -14.1077 -14.1077 -13.9716 -13.9716 -13.4830 -13.4830 -13.4568 -13.4568 -6.6251 -6.6251 -6.5341 -6.5341 -6.3463 -6.3463 -6.1003 -6.1003 -4.9101 -4.9101 -4.7807 -4.7807 -4.3987 -4.3987 -4.3283 -4.3283 -4.2890 -4.2890 -4.1022 -4.1022 -4.0963 -4.0963 -3.9649 -3.9649 -1.2018 -1.2018 -0.9783 -0.9783 -0.8817 -0.8817 -0.8671 -0.8671 -0.6225 -0.6225 -0.4077 -0.4077 -0.3200 -0.3200 -0.2576 -0.2576 2.3282 2.3282 2.9144 2.9144 3.3877 3.3877 3.4041 3.4041 8.6052 8.6052 9.3775 9.3775 k = 0.0000 0.3727 0.0666 ( 6767 PWs) bands (ev): -24.0916 -24.0916 -24.0196 -24.0196 -23.9878 -23.9878 -23.9699 -23.9699 -14.1041 -14.1041 -13.9751 -13.9751 -13.4825 -13.4825 -13.4578 -13.4578 -6.6284 -6.6284 -6.5334 -6.5334 -6.3431 -6.3431 -6.1005 -6.1005 -4.8944 -4.8944 -4.7635 -4.7635 -4.4013 -4.4013 -4.3296 -4.3296 -4.3059 -4.3059 -4.1022 -4.1022 -4.0957 -4.0957 -3.9832 -3.9832 -1.1847 -1.1847 -0.9715 -0.9715 -0.8906 -0.8906 -0.8662 -0.8662 -0.6225 -0.6225 -0.4301 -0.4301 -0.3178 -0.3178 -0.2595 -0.2595 2.3425 2.3425 2.9059 2.9059 3.3863 3.3863 3.4064 3.4064 8.6659 8.6659 9.4135 9.4135 k = 0.0000 0.3760 0.0794 ( 6765 PWs) bands (ev): -24.0896 -24.0896 -24.0226 -24.0226 -23.9871 -23.9871 -23.9696 -23.9696 -14.1001 -14.1001 -13.9788 -13.9788 -13.4820 -13.4820 -13.4588 -13.4588 -6.6318 -6.6318 -6.5325 -6.5325 -6.3397 -6.3397 -6.1009 -6.1009 -4.8777 -4.8777 -4.7451 -4.7451 -4.4053 -4.4053 -4.3334 -4.3334 -4.3201 -4.3201 -4.1026 -4.1026 -4.0952 -4.0952 -4.0023 -4.0023 -1.1668 -1.1668 -0.9643 -0.9643 -0.8994 -0.8994 -0.8649 -0.8649 -0.6231 -0.6231 -0.4539 -0.4539 -0.3154 -0.3154 -0.2616 -0.2616 2.3576 2.3576 2.8967 2.8967 3.3849 3.3849 3.4088 3.4088 8.7307 8.7307 9.4521 9.4521 k = 0.0000 0.3793 0.0921 ( 6759 PWs) bands (ev): -24.0874 -24.0874 -24.0257 -24.0257 -23.9865 -23.9865 -23.9694 -23.9694 -14.0959 -14.0959 -13.9827 -13.9827 -13.4815 -13.4815 -13.4599 -13.4599 -6.6352 -6.6352 -6.5316 -6.5316 -6.3361 -6.3361 -6.1013 -6.1013 -4.8598 -4.8598 -4.7257 -4.7257 -4.4116 -4.4116 -4.3446 -4.3446 -4.3256 -4.3256 -4.1035 -4.1035 -4.0949 -4.0949 -4.0219 -4.0219 -1.1480 -1.1480 -0.9569 -0.9569 -0.9076 -0.9076 -0.8635 -0.8635 -0.6244 -0.6244 -0.4788 -0.4788 -0.3127 -0.3127 -0.2639 -0.2639 2.3734 2.3734 2.8869 2.8869 3.3833 3.3833 3.4113 3.4113 8.7992 8.7992 9.4931 9.4931 k = 0.0000 0.3826 0.1049 ( 6749 PWs) bands (ev): -24.0850 -24.0850 -24.0288 -24.0288 -23.9857 -23.9857 -23.9693 -23.9693 -14.0915 -14.0915 -13.9868 -13.9868 -13.4809 -13.4809 -13.4611 -13.4611 -6.6387 -6.6387 -6.5306 -6.5306 -6.3323 -6.3323 -6.1019 -6.1019 -4.8410 -4.8410 -4.7055 -4.7055 -4.4213 -4.4213 -4.3576 -4.3576 -4.3266 -4.3266 -4.1055 -4.1055 -4.0946 -4.0946 -4.0414 -4.0414 -1.1287 -1.1287 -0.9498 -0.9498 -0.9145 -0.9145 -0.8618 -0.8618 -0.6263 -0.6263 -0.5045 -0.5045 -0.3098 -0.3098 -0.2663 -0.2663 2.3899 2.3899 2.8765 2.8765 3.3816 3.3816 3.4138 3.4138 8.8712 8.8712 9.5363 9.5363 k = 0.0000 0.3859 0.1176 ( 6751 PWs) bands (ev): -24.0826 -24.0826 -24.0321 -24.0321 -23.9850 -23.9850 -23.9692 -23.9692 -14.0869 -14.0869 -13.9911 -13.9911 -13.4804 -13.4804 -13.4623 -13.4623 -6.6423 -6.6423 -6.5295 -6.5295 -6.3282 -6.3282 -6.1026 -6.1026 -4.8214 -4.8214 -4.6845 -4.6845 -4.4355 -4.4355 -4.3679 -4.3679 -4.3264 -4.3264 -4.1096 -4.1096 -4.0945 -4.0945 -4.0594 -4.0594 -1.1092 -1.1092 -0.9445 -0.9445 -0.9184 -0.9184 -0.8599 -0.8599 -0.6292 -0.6292 -0.5307 -0.5307 -0.3067 -0.3067 -0.2690 -0.2690 2.4070 2.4070 2.8655 2.8655 3.3798 3.3798 3.4165 3.4165 8.9463 8.9463 9.5815 9.5815 k = 0.0000 0.3892 0.1304 ( 6752 PWs) bands (ev): -24.0801 -24.0801 -24.0353 -24.0353 -23.9843 -23.9843 -23.9693 -23.9693 -14.0820 -14.0820 -13.9956 -13.9956 -13.4798 -13.4798 -13.4636 -13.4636 -6.6458 -6.6458 -6.5283 -6.5283 -6.3240 -6.3240 -6.1034 -6.1034 -4.8009 -4.8009 -4.6629 -4.6629 -4.4539 -4.4539 -4.3753 -4.3753 -4.3256 -4.3256 -4.1182 -4.1182 -4.0946 -4.0946 -4.0737 -4.0737 -1.0902 -1.0902 -0.9429 -0.9429 -0.9167 -0.9167 -0.8579 -0.8579 -0.6334 -0.6334 -0.5568 -0.5568 -0.3035 -0.3035 -0.2718 -0.2718 2.4246 2.4246 2.8540 2.8540 3.3779 3.3779 3.4191 3.4191 9.0242 9.0242 9.6285 9.6285 k = 0.0000 0.3925 0.1431 ( 6756 PWs) bands (ev): -24.0774 -24.0774 -24.0386 -24.0386 -23.9835 -23.9835 -23.9695 -23.9695 -14.0770 -14.0770 -14.0002 -14.0002 -13.4792 -13.4792 -13.4650 -13.4650 -6.6493 -6.6493 -6.5271 -6.5271 -6.3197 -6.3197 -6.1043 -6.1043 -4.7797 -4.7797 -4.6410 -4.6410 -4.4753 -4.4753 -4.3808 -4.3808 -4.3241 -4.3241 -4.1327 -4.1327 -4.0950 -4.0950 -4.0820 -4.0820 -1.0725 -1.0725 -0.9439 -0.9439 -0.9098 -0.9098 -0.8557 -0.8557 -0.6399 -0.6399 -0.5815 -0.5815 -0.3003 -0.3003 -0.2748 -0.2748 2.4426 2.4426 2.8419 2.8419 3.3758 3.3758 3.4218 3.4218 9.1044 9.1044 9.6770 9.6770 k = 0.0000 0.3958 0.1559 ( 6756 PWs) bands (ev): -24.0746 -24.0746 -24.0419 -24.0419 -23.9828 -23.9828 -23.9697 -23.9697 -14.0718 -14.0718 -14.0049 -14.0049 -13.4786 -13.4786 -13.4664 -13.4664 -6.6528 -6.6528 -6.5258 -6.5258 -6.3151 -6.3151 -6.1054 -6.1054 -4.7580 -4.7580 -4.6190 -4.6190 -4.4986 -4.4986 -4.3853 -4.3853 -4.3218 -4.3218 -4.1518 -4.1518 -4.0959 -4.0959 -4.0858 -4.0858 -1.0576 -1.0576 -0.9435 -0.9435 -0.9003 -0.9003 -0.8533 -0.8533 -0.6512 -0.6512 -0.6022 -0.6022 -0.2970 -0.2970 -0.2780 -0.2780 2.4609 2.4609 2.8294 2.8294 3.3737 3.3737 3.4244 3.4244 9.1865 9.1865 9.7267 9.7267 k = 0.0000 0.3991 0.1686 ( 6753 PWs) bands (ev): -24.0718 -24.0718 -24.0452 -24.0452 -23.9820 -23.9820 -23.9700 -23.9700 -14.0664 -14.0664 -14.0098 -14.0098 -13.4780 -13.4780 -13.4678 -13.4678 -6.6562 -6.6562 -6.5245 -6.5245 -6.3104 -6.3104 -6.1065 -6.1065 -4.7357 -4.7357 -4.5973 -4.5973 -4.5230 -4.5230 -4.3896 -4.3896 -4.3185 -4.3185 -4.1728 -4.1728 -4.0970 -4.0970 -4.0872 -4.0872 -1.0470 -1.0470 -0.9393 -0.9393 -0.8894 -0.8894 -0.8508 -0.8508 -0.6697 -0.6697 -0.6162 -0.6162 -0.2936 -0.2936 -0.2813 -0.2813 2.4795 2.4795 2.8164 2.8164 3.3715 3.3715 3.4270 3.4270 9.2701 9.2701 9.7293 9.7293 k = 0.5000 0.2667 0.3415 ( 6786 PWs) bands (ev): -24.0168 -24.0168 -24.0168 -24.0168 -23.9981 -23.9981 -23.9980 -23.9980 -13.8528 -13.8528 -13.8528 -13.8528 -13.7516 -13.7516 -13.7515 -13.7515 -6.4259 -6.4259 -6.4256 -6.4256 -6.2247 -6.2247 -6.2238 -6.2238 -4.8155 -4.8155 -4.8134 -4.8134 -4.6512 -4.6512 -4.6356 -4.6356 -4.3528 -4.3528 -4.3502 -4.3502 -4.1748 -4.1748 -4.1526 -4.1526 -0.9336 -0.9336 -0.8954 -0.8954 -0.7298 -0.7298 -0.6950 -0.6950 -0.4860 -0.4860 -0.4490 -0.4490 -0.3412 -0.3412 -0.2933 -0.2933 3.1508 3.1508 3.1624 3.1624 3.2028 3.2028 3.2099 3.2099 9.4659 9.4659 9.4688 9.4688 k = 0.5000 0.2534 0.3415 ( 6778 PWs) bands (ev): -24.0164 -24.0164 -24.0163 -24.0163 -23.9985 -23.9985 -23.9985 -23.9985 -13.8526 -13.8526 -13.8526 -13.8526 -13.7515 -13.7515 -13.7514 -13.7514 -6.4291 -6.4291 -6.4288 -6.4288 -6.2267 -6.2267 -6.2258 -6.2258 -4.8121 -4.8121 -4.8096 -4.8096 -4.6476 -4.6476 -4.6318 -4.6318 -4.3522 -4.3522 -4.3496 -4.3496 -4.1774 -4.1774 -4.1547 -4.1547 -0.9328 -0.9328 -0.8948 -0.8948 -0.7321 -0.7321 -0.6984 -0.6984 -0.4803 -0.4803 -0.4444 -0.4444 -0.3398 -0.3398 -0.2921 -0.2921 3.1460 3.1460 3.1575 3.1575 3.1981 3.1981 3.2053 3.2053 9.4634 9.4634 9.4663 9.4663 k = 0.5000 0.2401 0.3415 ( 6780 PWs) bands (ev): -24.0159 -24.0159 -24.0159 -24.0159 -23.9990 -23.9990 -23.9990 -23.9990 -13.8523 -13.8523 -13.8523 -13.8523 -13.7516 -13.7516 -13.7515 -13.7515 -6.4324 -6.4324 -6.4321 -6.4321 -6.2295 -6.2295 -6.2285 -6.2285 -4.8083 -4.8083 -4.8055 -4.8055 -4.6433 -4.6433 -4.6274 -4.6274 -4.3519 -4.3519 -4.3492 -4.3492 -4.1799 -4.1799 -4.1567 -4.1567 -0.9315 -0.9315 -0.8938 -0.8938 -0.7347 -0.7347 -0.7019 -0.7019 -0.4743 -0.4743 -0.4394 -0.4394 -0.3384 -0.3384 -0.2910 -0.2910 3.1399 3.1399 3.1511 3.1511 3.1933 3.1933 3.2008 3.2008 9.4622 9.4622 9.4650 9.4650 k = 0.5000 0.2267 0.3415 ( 6786 PWs) bands (ev): -24.0155 -24.0155 -24.0154 -24.0154 -23.9995 -23.9995 -23.9994 -23.9994 -13.8518 -13.8518 -13.8518 -13.8518 -13.7517 -13.7517 -13.7517 -13.7517 -6.4356 -6.4356 -6.4353 -6.4353 -6.2329 -6.2329 -6.2320 -6.2320 -4.8040 -4.8040 -4.8009 -4.8009 -4.6387 -4.6387 -4.6225 -4.6225 -4.3517 -4.3517 -4.3491 -4.3491 -4.1823 -4.1823 -4.1584 -4.1584 -0.9298 -0.9298 -0.8923 -0.8923 -0.7376 -0.7376 -0.7056 -0.7056 -0.4681 -0.4681 -0.4340 -0.4340 -0.3371 -0.3371 -0.2901 -0.2901 3.1327 3.1327 3.1436 3.1436 3.1885 3.1885 3.1961 3.1961 9.4622 9.4622 9.4649 9.4649 k = 0.5000 0.2134 0.3415 ( 6790 PWs) bands (ev): -24.0150 -24.0150 -24.0150 -24.0150 -23.9999 -23.9999 -23.9999 -23.9999 -13.8512 -13.8512 -13.8511 -13.8511 -13.7520 -13.7520 -13.7520 -13.7520 -6.4388 -6.4388 -6.4385 -6.4385 -6.2371 -6.2371 -6.2361 -6.2361 -4.7993 -4.7993 -4.7960 -4.7960 -4.6337 -4.6337 -4.6171 -4.6171 -4.3519 -4.3519 -4.3493 -4.3493 -4.1844 -4.1844 -4.1599 -4.1599 -0.9278 -0.9278 -0.8906 -0.8906 -0.7406 -0.7406 -0.7093 -0.7093 -0.4619 -0.4619 -0.4284 -0.4284 -0.3360 -0.3360 -0.2894 -0.2894 3.1247 3.1247 3.1355 3.1355 3.1833 3.1833 3.1912 3.1912 9.4635 9.4635 9.4661 9.4661 k = 0.5000 0.2001 0.3415 ( 6796 PWs) bands (ev): -24.0146 -24.0146 -24.0145 -24.0145 -24.0004 -24.0004 -24.0004 -24.0004 -13.8504 -13.8504 -13.8504 -13.8504 -13.7524 -13.7524 -13.7524 -13.7524 -6.4419 -6.4419 -6.4416 -6.4416 -6.2418 -6.2418 -6.2408 -6.2408 -4.7942 -4.7942 -4.7907 -4.7907 -4.6286 -4.6286 -4.6115 -4.6115 -4.3523 -4.3523 -4.3498 -4.3498 -4.1863 -4.1863 -4.1612 -4.1612 -0.9255 -0.9255 -0.8886 -0.8886 -0.7437 -0.7437 -0.7130 -0.7130 -0.4556 -0.4556 -0.4226 -0.4226 -0.3349 -0.3349 -0.2888 -0.2888 3.1163 3.1163 3.1268 3.1268 3.1779 3.1779 3.1858 3.1858 9.4659 9.4659 9.4685 9.4685 k = 0.5000 0.1867 0.3415 ( 6794 PWs) bands (ev): -24.0141 -24.0141 -24.0141 -24.0141 -24.0009 -24.0009 -24.0008 -24.0008 -13.8496 -13.8496 -13.8495 -13.8495 -13.7529 -13.7529 -13.7529 -13.7529 -6.4448 -6.4448 -6.4444 -6.4444 -6.2470 -6.2470 -6.2460 -6.2460 -4.7886 -4.7886 -4.7850 -4.7850 -4.6234 -4.6234 -4.6057 -4.6057 -4.3529 -4.3529 -4.3506 -4.3506 -4.1880 -4.1880 -4.1622 -4.1622 -0.9229 -0.9229 -0.8864 -0.8864 -0.7468 -0.7468 -0.7165 -0.7165 -0.4494 -0.4494 -0.4167 -0.4167 -0.3339 -0.3339 -0.2883 -0.2883 3.1076 3.1076 3.1180 3.1180 3.1721 3.1721 3.1801 3.1801 9.4694 9.4694 9.4719 9.4719 k = 0.5000 0.1734 0.3415 ( 6788 PWs) bands (ev): -24.0137 -24.0137 -24.0136 -24.0136 -24.0013 -24.0013 -24.0013 -24.0013 -13.8486 -13.8486 -13.8486 -13.8486 -13.7535 -13.7535 -13.7535 -13.7535 -6.4474 -6.4474 -6.4471 -6.4471 -6.2526 -6.2526 -6.2516 -6.2516 -4.7828 -4.7828 -4.7791 -4.7791 -4.6183 -4.6183 -4.5998 -4.5998 -4.3539 -4.3539 -4.3517 -4.3517 -4.1895 -4.1895 -4.1631 -4.1631 -0.9202 -0.9202 -0.8841 -0.8841 -0.7499 -0.7499 -0.7198 -0.7198 -0.4434 -0.4434 -0.4109 -0.4109 -0.3330 -0.3330 -0.2880 -0.2880 3.0988 3.0988 3.1092 3.1092 3.1660 3.1660 3.1741 3.1741 9.4739 9.4739 9.4764 9.4764 k = 0.5000 0.1600 0.3415 ( 6792 PWs) bands (ev): -24.0132 -24.0132 -24.0131 -24.0131 -24.0018 -24.0018 -24.0018 -24.0018 -13.8476 -13.8476 -13.8476 -13.8476 -13.7542 -13.7542 -13.7541 -13.7541 -6.4499 -6.4499 -6.4496 -6.4496 -6.2585 -6.2585 -6.2575 -6.2575 -4.7766 -4.7766 -4.7729 -4.7729 -4.6132 -4.6132 -4.5940 -4.5940 -4.3550 -4.3550 -4.3531 -4.3531 -4.1908 -4.1908 -4.1638 -4.1638 -0.9174 -0.9174 -0.8817 -0.8817 -0.7529 -0.7529 -0.7230 -0.7230 -0.4375 -0.4375 -0.4050 -0.4050 -0.3322 -0.3322 -0.2879 -0.2879 3.0902 3.0902 3.1005 3.1005 3.1597 3.1597 3.1677 3.1677 9.4793 9.4793 9.4817 9.4817 k = 0.5000 0.1467 0.3415 ( 6794 PWs) bands (ev): -24.0127 -24.0127 -24.0127 -24.0127 -24.0023 -24.0023 -24.0022 -24.0022 -13.8466 -13.8466 -13.8465 -13.8465 -13.7549 -13.7549 -13.7548 -13.7548 -6.4520 -6.4520 -6.4517 -6.4517 -6.2646 -6.2646 -6.2636 -6.2636 -4.7703 -4.7703 -4.7666 -4.7666 -4.6084 -4.6084 -4.5884 -4.5884 -4.3563 -4.3563 -4.3547 -4.3547 -4.1918 -4.1918 -4.1642 -4.1642 -0.9145 -0.9145 -0.8793 -0.8793 -0.7558 -0.7558 -0.7258 -0.7258 -0.4319 -0.4319 -0.3992 -0.3992 -0.3316 -0.3316 -0.2879 -0.2879 3.0819 3.0819 3.0922 3.0922 3.1531 3.1531 3.1611 3.1611 9.4855 9.4855 9.4877 9.4877 k = 0.5000 0.1334 0.3415 ( 6790 PWs) bands (ev): -24.0123 -24.0123 -24.0122 -24.0122 -24.0028 -24.0028 -24.0027 -24.0027 -13.8455 -13.8455 -13.8455 -13.8455 -13.7556 -13.7556 -13.7555 -13.7555 -6.4539 -6.4539 -6.4536 -6.4536 -6.2708 -6.2708 -6.2698 -6.2698 -4.7639 -4.7639 -4.7602 -4.7602 -4.6039 -4.6039 -4.5829 -4.5829 -4.3578 -4.3578 -4.3566 -4.3566 -4.1927 -4.1927 -4.1646 -4.1646 -0.9116 -0.9116 -0.8769 -0.8769 -0.7585 -0.7585 -0.7284 -0.7284 -0.4266 -0.4266 -0.3936 -0.3936 -0.3310 -0.3310 -0.2881 -0.2881 3.0740 3.0740 3.0844 3.0844 3.1465 3.1465 3.1545 3.1545 9.4922 9.4922 9.4943 9.4943 k = 0.5000 0.1200 0.3415 ( 6790 PWs) bands (ev): -24.0118 -24.0118 -24.0118 -24.0118 -24.0032 -24.0032 -24.0032 -24.0032 -13.8444 -13.8444 -13.8444 -13.8444 -13.7563 -13.7563 -13.7563 -13.7563 -6.4555 -6.4555 -6.4552 -6.4552 -6.2769 -6.2769 -6.2759 -6.2759 -4.7576 -4.7576 -4.7540 -4.7540 -4.5997 -4.5997 -4.5778 -4.5778 -4.3595 -4.3595 -4.3585 -4.3585 -4.1934 -4.1934 -4.1647 -4.1647 -0.9089 -0.9089 -0.8746 -0.8746 -0.7610 -0.7610 -0.7308 -0.7308 -0.4215 -0.4215 -0.3882 -0.3882 -0.3306 -0.3306 -0.2885 -0.2885 3.0666 3.0666 3.0771 3.0771 3.1400 3.1400 3.1478 3.1478 9.4993 9.4993 9.5013 9.5013 k = 0.5000 0.1067 0.3415 ( 6790 PWs) bands (ev): -24.0114 -24.0114 -24.0113 -24.0113 -24.0037 -24.0037 -24.0036 -24.0036 -13.8433 -13.8433 -13.8433 -13.8433 -13.7571 -13.7571 -13.7570 -13.7570 -6.4568 -6.4568 -6.4565 -6.4565 -6.2829 -6.2829 -6.2819 -6.2819 -4.7514 -4.7514 -4.7480 -4.7480 -4.5959 -4.5959 -4.5730 -4.5730 -4.3612 -4.3612 -4.3606 -4.3606 -4.1939 -4.1939 -4.1648 -4.1648 -0.9062 -0.9062 -0.8725 -0.8725 -0.7634 -0.7634 -0.7328 -0.7328 -0.4168 -0.4168 -0.3830 -0.3830 -0.3303 -0.3303 -0.2890 -0.2890 3.0598 3.0598 3.0704 3.0704 3.1336 3.1336 3.1413 3.1413 9.5066 9.5066 9.5086 9.5086 k = 0.5000 0.0934 0.3415 ( 6788 PWs) bands (ev): -24.0109 -24.0109 -24.0108 -24.0108 -24.0042 -24.0042 -24.0041 -24.0041 -13.8423 -13.8423 -13.8423 -13.8423 -13.7578 -13.7578 -13.7578 -13.7578 -6.4579 -6.4579 -6.4576 -6.4576 -6.2886 -6.2886 -6.2876 -6.2876 -4.7455 -4.7455 -4.7423 -4.7423 -4.5925 -4.5925 -4.5687 -4.5687 -4.3630 -4.3630 -4.3625 -4.3625 -4.1943 -4.1943 -4.1648 -4.1648 -0.9037 -0.9037 -0.8705 -0.8705 -0.7655 -0.7655 -0.7346 -0.7346 -0.4125 -0.4125 -0.3781 -0.3781 -0.3301 -0.3301 -0.2897 -0.2897 3.0537 3.0537 3.0645 3.0645 3.1276 3.1276 3.1351 3.1351 9.5140 9.5140 9.5158 9.5158 k = 0.5000 0.0800 0.3415 ( 6790 PWs) bands (ev): -24.0105 -24.0105 -24.0104 -24.0104 -24.0047 -24.0047 -24.0046 -24.0046 -13.8414 -13.8414 -13.8413 -13.8413 -13.7585 -13.7585 -13.7584 -13.7584 -6.4587 -6.4587 -6.4584 -6.4584 -6.2938 -6.2938 -6.2928 -6.2928 -4.7401 -4.7401 -4.7370 -4.7370 -4.5895 -4.5895 -4.5648 -4.5648 -4.3649 -4.3649 -4.3642 -4.3642 -4.1946 -4.1946 -4.1647 -4.1647 -0.9015 -0.9015 -0.8688 -0.8688 -0.7673 -0.7673 -0.7361 -0.7361 -0.4086 -0.4086 -0.3736 -0.3736 -0.3300 -0.3300 -0.2904 -0.2904 3.0483 3.0483 3.0593 3.0593 3.1220 3.1220 3.1294 3.1294 9.5212 9.5212 9.5229 9.5229 k = 0.5000 0.0667 0.3415 ( 6796 PWs) bands (ev): -24.0100 -24.0100 -24.0099 -24.0099 -24.0051 -24.0051 -24.0050 -24.0050 -13.8405 -13.8405 -13.8405 -13.8405 -13.7591 -13.7591 -13.7591 -13.7591 -6.4593 -6.4593 -6.4589 -6.4589 -6.2986 -6.2986 -6.2975 -6.2975 -4.7352 -4.7352 -4.7323 -4.7323 -4.5871 -4.5871 -4.5614 -4.5614 -4.3668 -4.3668 -4.3658 -4.3658 -4.1948 -4.1948 -4.1646 -4.1646 -0.8995 -0.8995 -0.8673 -0.8673 -0.7689 -0.7689 -0.7374 -0.7374 -0.4052 -0.4052 -0.3695 -0.3695 -0.3300 -0.3300 -0.2912 -0.2912 3.0438 3.0438 3.0549 3.0549 3.1170 3.1170 3.1242 3.1242 9.5281 9.5281 9.5297 9.5297 k = 0.5000 0.0533 0.3415 ( 6794 PWs) bands (ev): -24.0096 -24.0096 -24.0094 -24.0094 -24.0056 -24.0056 -24.0055 -24.0055 -13.8398 -13.8398 -13.8398 -13.8398 -13.7597 -13.7597 -13.7596 -13.7596 -6.4596 -6.4596 -6.4593 -6.4593 -6.3026 -6.3026 -6.3016 -6.3016 -4.7311 -4.7311 -4.7283 -4.7283 -4.5850 -4.5850 -4.5586 -4.5586 -4.3685 -4.3685 -4.3671 -4.3671 -4.1949 -4.1949 -4.1645 -4.1645 -0.8978 -0.8978 -0.8660 -0.8660 -0.7703 -0.7703 -0.7384 -0.7384 -0.4023 -0.4023 -0.3660 -0.3660 -0.3301 -0.3301 -0.2920 -0.2920 3.0400 3.0400 3.0513 3.0513 3.1128 3.1128 3.1198 3.1198 9.5345 9.5345 9.5359 9.5359 k = 0.5000 0.0400 0.3415 ( 6794 PWs) bands (ev): -24.0092 -24.0092 -24.0090 -24.0090 -24.0061 -24.0061 -24.0059 -24.0059 -13.8392 -13.8392 -13.8392 -13.8392 -13.7601 -13.7601 -13.7601 -13.7601 -6.4599 -6.4599 -6.4596 -6.4596 -6.3059 -6.3059 -6.3048 -6.3048 -4.7277 -4.7277 -4.7250 -4.7250 -4.5835 -4.5835 -4.5564 -4.5564 -4.3699 -4.3699 -4.3681 -4.3681 -4.1949 -4.1949 -4.1644 -4.1644 -0.8965 -0.8965 -0.8650 -0.8650 -0.7713 -0.7713 -0.7392 -0.7392 -0.3999 -0.3999 -0.3632 -0.3632 -0.3303 -0.3303 -0.2927 -0.2927 3.0371 3.0371 3.0485 3.0485 3.1093 3.1093 3.1162 3.1162 9.5401 9.5401 9.5413 9.5413 k = 0.5000 0.0267 0.3415 ( 6798 PWs) bands (ev): -24.0088 -24.0088 -24.0085 -24.0085 -24.0065 -24.0065 -24.0063 -24.0063 -13.8387 -13.8387 -13.8387 -13.8387 -13.7604 -13.7604 -13.7604 -13.7604 -6.4600 -6.4600 -6.4597 -6.4597 -6.3083 -6.3083 -6.3072 -6.3072 -4.7252 -4.7252 -4.7227 -4.7227 -4.5823 -4.5823 -4.5548 -4.5548 -4.3709 -4.3709 -4.3689 -4.3689 -4.1950 -4.1950 -4.1643 -4.1643 -0.8955 -0.8955 -0.8643 -0.8643 -0.7721 -0.7721 -0.7398 -0.7398 -0.3982 -0.3982 -0.3610 -0.3610 -0.3304 -0.3304 -0.2933 -0.2933 3.0350 3.0350 3.0465 3.0465 3.1067 3.1067 3.1135 3.1135 9.5446 9.5447 9.5456 9.5456 k = 0.5000 0.0133 0.3415 ( 6792 PWs) bands (ev): -24.0085 -24.0085 -24.0081 -24.0081 -24.0070 -24.0070 -24.0066 -24.0066 -13.8385 -13.8385 -13.8384 -13.8384 -13.7607 -13.7607 -13.7606 -13.7606 -6.4601 -6.4601 -6.4598 -6.4598 -6.3097 -6.3097 -6.3087 -6.3087 -4.7237 -4.7237 -4.7212 -4.7212 -4.5817 -4.5817 -4.5538 -4.5538 -4.3716 -4.3716 -4.3694 -4.3694 -4.1950 -4.1950 -4.1642 -4.1642 -0.8949 -0.8949 -0.8638 -0.8638 -0.7725 -0.7725 -0.7401 -0.7401 -0.3971 -0.3971 -0.3597 -0.3597 -0.3305 -0.3305 -0.2937 -0.2937 3.0338 3.0338 3.0453 3.0453 3.1052 3.1052 3.1119 3.1119 9.5476 9.5476 9.5485 9.5485 k = 0.5000-0.0000 0.3415 ( 6788 PWs) bands (ev): -24.0084 -24.0084 -24.0078 -24.0078 -24.0073 -24.0073 -24.0067 -24.0067 -13.8384 -13.8384 -13.8384 -13.8384 -13.7607 -13.7607 -13.7607 -13.7607 -6.4601 -6.4601 -6.4598 -6.4598 -6.3102 -6.3102 -6.3092 -6.3092 -4.7232 -4.7232 -4.7207 -4.7207 -4.5815 -4.5815 -4.5535 -4.5535 -4.3718 -4.3718 -4.3696 -4.3696 -4.1950 -4.1950 -4.1642 -4.1642 -0.8947 -0.8947 -0.8637 -0.8637 -0.7727 -0.7727 -0.7402 -0.7402 -0.3968 -0.3968 -0.3593 -0.3593 -0.3305 -0.3305 -0.2939 -0.2939 3.0333 3.0333 3.0449 3.0449 3.1047 3.1047 3.1113 3.1113 9.5487 9.5487 9.5495 9.5495 k = 0.5000-0.0000 0.3415 ( 6788 PWs) bands (ev): -24.0084 -24.0084 -24.0078 -24.0078 -24.0073 -24.0073 -24.0067 -24.0067 -13.8384 -13.8384 -13.8384 -13.8384 -13.7607 -13.7607 -13.7607 -13.7607 -6.4601 -6.4601 -6.4598 -6.4598 -6.3102 -6.3102 -6.3092 -6.3092 -4.7232 -4.7232 -4.7207 -4.7207 -4.5815 -4.5815 -4.5535 -4.5535 -4.3718 -4.3718 -4.3696 -4.3696 -4.1950 -4.1950 -4.1642 -4.1642 -0.8947 -0.8947 -0.8637 -0.8637 -0.7727 -0.7727 -0.7402 -0.7402 -0.3968 -0.3968 -0.3593 -0.3593 -0.3305 -0.3305 -0.2939 -0.2939 3.0333 3.0333 3.0449 3.0449 3.1047 3.1047 3.1113 3.1113 9.5487 9.5487 9.5495 9.5495 k = 0.5000-0.0000 0.3283 ( 6788 PWs) bands (ev): -24.0095 -24.0095 -24.0093 -24.0093 -24.0057 -24.0057 -24.0055 -24.0055 -13.8383 -13.8383 -13.8383 -13.8383 -13.7608 -13.7608 -13.7607 -13.7607 -6.4600 -6.4600 -6.4597 -6.4597 -6.3103 -6.3103 -6.3093 -6.3093 -4.7242 -4.7242 -4.7217 -4.7217 -4.5814 -4.5814 -4.5537 -4.5537 -4.3711 -4.3711 -4.3691 -4.3691 -4.1944 -4.1944 -4.1636 -4.1636 -0.8949 -0.8949 -0.8639 -0.8639 -0.7723 -0.7723 -0.7398 -0.7398 -0.3975 -0.3975 -0.3601 -0.3601 -0.3303 -0.3303 -0.2937 -0.2937 3.0324 3.0324 3.0439 3.0439 3.1055 3.1055 3.1122 3.1122 9.5491 9.5491 9.5499 9.5499 k = 0.5000-0.0000 0.3152 ( 6800 PWs) bands (ev): -24.0112 -24.0112 -24.0111 -24.0111 -24.0039 -24.0039 -24.0038 -24.0038 -13.8381 -13.8381 -13.8381 -13.8381 -13.7610 -13.7610 -13.7609 -13.7609 -6.4596 -6.4596 -6.4593 -6.4593 -6.3105 -6.3105 -6.3095 -6.3095 -4.7274 -4.7274 -4.7246 -4.7246 -4.5811 -4.5811 -4.5544 -4.5544 -4.3689 -4.3689 -4.3675 -4.3675 -4.1925 -4.1925 -4.1619 -4.1619 -0.8953 -0.8953 -0.8644 -0.8644 -0.7710 -0.7710 -0.7386 -0.7386 -0.3997 -0.3997 -0.3625 -0.3625 -0.3297 -0.3297 -0.2931 -0.2931 3.0296 3.0296 3.0409 3.0409 3.1078 3.1078 3.1146 3.1146 9.5507 9.5507 9.5517 9.5517 k = 0.5000-0.0000 0.3021 ( 6794 PWs) bands (ev): -24.0130 -24.0130 -24.0129 -24.0129 -24.0021 -24.0021 -24.0021 -24.0021 -13.8378 -13.8378 -13.8378 -13.8378 -13.7613 -13.7613 -13.7613 -13.7613 -6.4590 -6.4590 -6.4587 -6.4587 -6.3109 -6.3109 -6.3099 -6.3099 -4.7326 -4.7326 -4.7294 -4.7294 -4.5806 -4.5806 -4.5555 -4.5555 -4.3656 -4.3656 -4.3649 -4.3649 -4.1892 -4.1892 -4.1590 -4.1590 -0.8960 -0.8960 -0.8652 -0.8652 -0.7689 -0.7689 -0.7367 -0.7367 -0.4031 -0.4031 -0.3664 -0.3664 -0.3289 -0.3289 -0.2923 -0.2923 3.0253 3.0253 3.0363 3.0363 3.1113 3.1113 3.1182 3.1182 9.5543 9.5543 9.5554 9.5554 k = 0.5000-0.0000 0.2889 ( 6796 PWs) bands (ev): -24.0147 -24.0147 -24.0147 -24.0147 -24.0003 -24.0003 -24.0003 -24.0003 -13.8374 -13.8374 -13.8374 -13.8374 -13.7618 -13.7618 -13.7617 -13.7617 -6.4581 -6.4581 -6.4578 -6.4578 -6.3114 -6.3114 -6.3104 -6.3104 -4.7394 -4.7394 -4.7358 -4.7358 -4.5801 -4.5801 -4.5569 -4.5569 -4.3618 -4.3618 -4.3612 -4.3612 -4.1848 -4.1848 -4.1550 -4.1550 -0.8969 -0.8969 -0.8663 -0.8663 -0.7660 -0.7660 -0.7340 -0.7340 -0.4077 -0.4077 -0.3714 -0.3714 -0.3279 -0.3279 -0.2914 -0.2914 3.0198 3.0198 3.0305 3.0305 3.1157 3.1157 3.1227 3.1227 9.5603 9.5603 9.5614 9.5614 k = 0.5000-0.0000 0.2758 ( 6798 PWs) bands (ev): -24.0165 -24.0165 -24.0164 -24.0164 -23.9986 -23.9986 -23.9986 -23.9986 -13.8369 -13.8369 -13.8368 -13.8368 -13.7624 -13.7624 -13.7623 -13.7623 -6.4570 -6.4570 -6.4567 -6.4567 -6.3121 -6.3121 -6.3111 -6.3111 -4.7477 -4.7477 -4.7436 -4.7436 -4.5796 -4.5796 -4.5584 -4.5584 -4.3579 -4.3579 -4.3564 -4.3564 -4.1790 -4.1790 -4.1499 -4.1499 -0.8979 -0.8979 -0.8677 -0.8677 -0.7624 -0.7624 -0.7307 -0.7307 -0.4132 -0.4132 -0.3775 -0.3775 -0.3271 -0.3271 -0.2907 -0.2907 3.0136 3.0136 3.0240 3.0240 3.1205 3.1205 3.1275 3.1275 9.5688 9.5688 9.5700 9.5700 k = 0.5000-0.0000 0.2627 ( 6796 PWs) bands (ev): -24.0182 -24.0182 -24.0181 -24.0181 -23.9969 -23.9969 -23.9968 -23.9968 -13.8362 -13.8362 -13.8362 -13.8362 -13.7631 -13.7631 -13.7630 -13.7630 -6.4557 -6.4557 -6.4554 -6.4554 -6.3129 -6.3129 -6.3119 -6.3119 -4.7571 -4.7571 -4.7526 -4.7526 -4.5791 -4.5791 -4.5600 -4.5600 -4.3536 -4.3536 -4.3513 -4.3513 -4.1721 -4.1721 -4.1438 -4.1438 -0.8991 -0.8991 -0.8692 -0.8692 -0.7582 -0.7582 -0.7268 -0.7268 -0.4194 -0.4194 -0.3844 -0.3844 -0.3264 -0.3264 -0.2902 -0.2902 3.0069 3.0069 3.0169 3.0169 3.1256 3.1256 3.1326 3.1326 9.5798 9.5798 9.5811 9.5811 k = 0.5000-0.0000 0.2495 ( 6798 PWs) bands (ev): -24.0198 -24.0198 -24.0198 -24.0198 -23.9952 -23.9952 -23.9952 -23.9952 -13.8354 -13.8354 -13.8354 -13.8354 -13.7639 -13.7639 -13.7639 -13.7639 -6.4542 -6.4542 -6.4538 -6.4538 -6.3138 -6.3138 -6.3128 -6.3128 -4.7673 -4.7673 -4.7626 -4.7626 -4.5786 -4.5786 -4.5616 -4.5616 -4.3492 -4.3492 -4.3462 -4.3462 -4.1640 -4.1640 -4.1367 -4.1367 -0.9003 -0.9003 -0.8709 -0.8709 -0.7534 -0.7534 -0.7223 -0.7223 -0.4261 -0.4261 -0.3920 -0.3920 -0.3260 -0.3260 -0.2901 -0.2901 2.9998 2.9998 3.0095 3.0095 3.1308 3.1308 3.1377 3.1377 9.5931 9.5931 9.5944 9.5944 k = 0.5000-0.0000 0.2364 ( 6798 PWs) bands (ev): -24.0215 -24.0215 -24.0214 -24.0214 -23.9936 -23.9936 -23.9935 -23.9935 -13.8345 -13.8345 -13.8345 -13.8345 -13.7649 -13.7649 -13.7648 -13.7648 -6.4524 -6.4524 -6.4521 -6.4521 -6.3149 -6.3149 -6.3139 -6.3139 -4.7782 -4.7782 -4.7733 -4.7733 -4.5782 -4.5782 -4.5631 -4.5631 -4.3448 -4.3448 -4.3412 -4.3412 -4.1548 -4.1548 -4.1288 -4.1288 -0.9015 -0.9015 -0.8727 -0.8727 -0.7480 -0.7480 -0.7174 -0.7174 -0.4333 -0.4333 -0.4000 -0.4000 -0.3259 -0.3259 -0.2904 -0.2904 2.9925 2.9925 3.0018 3.0018 3.1361 3.1361 3.1428 3.1428 9.6085 9.6085 9.6099 9.6099 k = 0.5000-0.0000 0.2233 ( 6808 PWs) bands (ev): -24.0230 -24.0230 -24.0230 -24.0230 -23.9920 -23.9920 -23.9920 -23.9920 -13.8335 -13.8335 -13.8335 -13.8335 -13.7659 -13.7659 -13.7659 -13.7659 -6.4505 -6.4505 -6.4501 -6.4501 -6.3161 -6.3161 -6.3152 -6.3152 -4.7894 -4.7894 -4.7844 -4.7844 -4.5779 -4.5779 -4.5645 -4.5645 -4.3405 -4.3405 -4.3366 -4.3366 -4.1449 -4.1449 -4.1202 -4.1202 -0.9027 -0.9027 -0.8746 -0.8746 -0.7422 -0.7422 -0.7121 -0.7121 -0.4407 -0.4407 -0.4085 -0.4085 -0.3262 -0.3262 -0.2913 -0.2913 2.9851 2.9851 2.9941 2.9941 3.1412 3.1412 3.1478 3.1478 9.6257 9.6257 9.6271 9.6271 k = 0.5000-0.0000 0.2101 ( 6808 PWs) bands (ev): -24.0245 -24.0245 -24.0245 -24.0245 -23.9904 -23.9904 -23.9904 -23.9904 -13.8324 -13.8324 -13.8324 -13.8324 -13.7671 -13.7671 -13.7670 -13.7670 -6.4483 -6.4483 -6.4480 -6.4480 -6.3175 -6.3175 -6.3165 -6.3165 -4.8008 -4.8008 -4.7958 -4.7958 -4.5777 -4.5777 -4.5658 -4.5658 -4.3364 -4.3364 -4.3323 -4.3323 -4.1342 -4.1342 -4.1110 -4.1110 -0.9038 -0.9038 -0.8765 -0.8765 -0.7360 -0.7360 -0.7065 -0.7065 -0.4484 -0.4484 -0.4172 -0.4172 -0.3269 -0.3269 -0.2926 -0.2926 2.9778 2.9778 2.9864 2.9864 3.1462 3.1462 3.1525 3.1525 9.6443 9.6443 9.6458 9.6458 k = 0.5000-0.0000 0.1970 ( 6806 PWs) bands (ev): -24.0260 -24.0260 -24.0260 -24.0260 -23.9890 -23.9890 -23.9890 -23.9890 -13.8312 -13.8312 -13.8312 -13.8312 -13.7684 -13.7684 -13.7683 -13.7683 -6.4460 -6.4460 -6.4457 -6.4457 -6.3189 -6.3189 -6.3180 -6.3180 -4.8122 -4.8122 -4.8073 -4.8073 -4.5776 -4.5776 -4.5670 -4.5670 -4.3326 -4.3326 -4.3284 -4.3284 -4.1230 -4.1230 -4.1013 -4.1013 -0.9048 -0.9048 -0.8783 -0.8783 -0.7294 -0.7294 -0.7006 -0.7006 -0.4561 -0.4561 -0.4261 -0.4261 -0.3280 -0.3280 -0.2944 -0.2944 2.9705 2.9705 2.9787 2.9787 3.1510 3.1510 3.1571 3.1571 9.6641 9.6641 9.6656 9.6656 k = 0.5000-0.0000 0.1839 ( 6804 PWs) bands (ev): -24.0274 -24.0274 -24.0274 -24.0274 -23.9876 -23.9876 -23.9876 -23.9876 -13.8299 -13.8299 -13.8299 -13.8299 -13.7697 -13.7697 -13.7697 -13.7697 -6.4436 -6.4436 -6.4433 -6.4433 -6.3205 -6.3205 -6.3196 -6.3196 -4.8234 -4.8234 -4.8186 -4.8186 -4.5775 -4.5775 -4.5682 -4.5682 -4.3291 -4.3291 -4.3250 -4.3250 -4.1115 -4.1115 -4.0915 -4.0915 -0.9057 -0.9057 -0.8802 -0.8802 -0.7226 -0.7226 -0.6945 -0.6945 -0.4639 -0.4639 -0.4351 -0.4351 -0.3295 -0.3295 -0.2968 -0.2968 2.9634 2.9634 2.9712 2.9712 3.1555 3.1555 3.1614 3.1614 9.6846 9.6846 9.6861 9.6861 k = 0.5000-0.0000 0.1707 ( 6806 PWs) bands (ev): -24.0287 -24.0287 -24.0287 -24.0287 -23.9863 -23.9863 -23.9862 -23.9862 -13.8286 -13.8286 -13.8285 -13.8285 -13.7712 -13.7712 -13.7711 -13.7711 -6.4411 -6.4411 -6.4407 -6.4407 -6.3222 -6.3222 -6.3213 -6.3213 -4.8343 -4.8343 -4.8297 -4.8297 -4.5775 -4.5775 -4.5693 -4.5693 -4.3259 -4.3259 -4.3220 -4.3220 -4.1000 -4.1000 -4.0815 -4.0815 -0.9065 -0.9065 -0.8820 -0.8820 -0.7155 -0.7155 -0.6883 -0.6883 -0.4715 -0.4715 -0.4441 -0.4441 -0.3312 -0.3312 -0.2995 -0.2995 2.9566 2.9566 2.9639 2.9639 3.1599 3.1599 3.1654 3.1654 9.7053 9.7053 9.7069 9.7069 k = 0.5000-0.0000 0.1576 ( 6802 PWs) bands (ev): -24.0299 -24.0299 -24.0299 -24.0299 -23.9850 -23.9850 -23.9850 -23.9850 -13.8271 -13.8271 -13.8271 -13.8271 -13.7727 -13.7727 -13.7726 -13.7726 -6.4385 -6.4385 -6.4381 -6.4381 -6.3240 -6.3240 -6.3231 -6.3231 -4.8448 -4.8448 -4.8405 -4.8405 -4.5775 -4.5775 -4.5702 -4.5702 -4.3229 -4.3229 -4.3193 -4.3193 -4.0885 -4.0885 -4.0716 -4.0716 -0.9071 -0.9071 -0.8838 -0.8838 -0.7083 -0.7083 -0.6821 -0.6821 -0.4790 -0.4790 -0.4530 -0.4530 -0.3332 -0.3332 -0.3027 -0.3027 2.9500 2.9500 2.9568 2.9568 3.1639 3.1639 3.1691 3.1691 9.7258 9.7258 9.7275 9.7275 k = 0.5000-0.0000 0.1445 ( 6802 PWs) bands (ev): -24.0311 -24.0311 -24.0311 -24.0311 -23.9838 -23.9838 -23.9838 -23.9838 -13.8256 -13.8256 -13.8256 -13.8256 -13.7742 -13.7742 -13.7742 -13.7742 -6.4358 -6.4358 -6.4354 -6.4354 -6.3258 -6.3258 -6.3250 -6.3250 -4.8547 -4.8547 -4.8507 -4.8507 -4.5775 -4.5775 -4.5711 -4.5711 -4.3203 -4.3203 -4.3170 -4.3170 -4.0772 -4.0772 -4.0620 -4.0620 -0.9075 -0.9075 -0.8856 -0.8856 -0.7010 -0.7010 -0.6759 -0.6759 -0.4862 -0.4862 -0.4618 -0.4618 -0.3353 -0.3353 -0.3063 -0.3063 2.9438 2.9438 2.9501 2.9501 3.1677 3.1677 3.1726 3.1726 9.7458 9.7458 9.7475 9.7475 k = 0.5000-0.0000 0.1313 ( 6800 PWs) bands (ev): -24.0321 -24.0321 -24.0321 -24.0321 -23.9827 -23.9827 -23.9827 -23.9827 -13.8241 -13.8241 -13.8240 -13.8240 -13.7758 -13.7758 -13.7758 -13.7758 -6.4331 -6.4331 -6.4327 -6.4327 -6.3277 -6.3277 -6.3269 -6.3269 -4.8640 -4.8640 -4.8603 -4.8603 -4.5775 -4.5775 -4.5720 -4.5720 -4.3180 -4.3180 -4.3150 -4.3150 -4.0664 -4.0664 -4.0527 -4.0527 -0.9077 -0.9077 -0.8873 -0.8873 -0.6936 -0.6936 -0.6697 -0.6697 -0.4931 -0.4931 -0.4704 -0.4704 -0.3376 -0.3376 -0.3101 -0.3101 2.9380 2.9380 2.9438 2.9438 3.1713 3.1713 3.1757 3.1757 9.7649 9.7649 9.7665 9.7665 k = 0.5000-0.0000 0.1182 ( 6810 PWs) bands (ev): -24.0331 -24.0331 -24.0331 -24.0331 -23.9818 -23.9818 -23.9817 -23.9817 -13.8225 -13.8225 -13.8225 -13.8225 -13.7775 -13.7775 -13.7775 -13.7775 -6.4304 -6.4304 -6.4300 -6.4300 -6.3296 -6.3296 -6.3289 -6.3289 -4.8726 -4.8726 -4.8692 -4.8692 -4.5776 -4.5776 -4.5728 -4.5728 -4.3160 -4.3160 -4.3133 -4.3133 -4.0562 -4.0562 -4.0440 -4.0440 -0.9077 -0.9077 -0.8889 -0.8889 -0.6863 -0.6863 -0.6638 -0.6638 -0.4997 -0.4997 -0.4786 -0.4786 -0.3399 -0.3399 -0.3142 -0.3142 2.9326 2.9326 2.9379 2.9379 3.1745 3.1745 3.1785 3.1785 9.7826 9.7826 9.7842 9.7842 k = 0.5000-0.0000 0.1051 ( 6808 PWs) bands (ev): -24.0340 -24.0340 -24.0340 -24.0340 -23.9809 -23.9809 -23.9809 -23.9809 -13.8209 -13.8209 -13.8209 -13.8209 -13.7792 -13.7792 -13.7791 -13.7791 -6.4277 -6.4277 -6.4274 -6.4274 -6.3315 -6.3315 -6.3308 -6.3308 -4.8804 -4.8804 -4.8774 -4.8774 -4.5776 -4.5776 -4.5735 -4.5735 -4.3142 -4.3142 -4.3118 -4.3118 -4.0467 -4.0467 -4.0359 -4.0359 -0.9076 -0.9076 -0.8905 -0.8905 -0.6792 -0.6792 -0.6582 -0.6582 -0.5057 -0.5057 -0.4865 -0.4865 -0.3421 -0.3421 -0.3184 -0.3184 2.9277 2.9277 2.9324 2.9324 3.1774 3.1774 3.1810 3.1810 9.7988 9.7988 9.8003 9.8003 k = 0.5000-0.0000 0.0919 ( 6810 PWs) bands (ev): -24.0348 -24.0348 -24.0348 -24.0348 -23.9801 -23.9801 -23.9801 -23.9801 -13.8193 -13.8193 -13.8193 -13.8193 -13.7808 -13.7808 -13.7808 -13.7808 -6.4252 -6.4252 -6.4248 -6.4248 -6.3334 -6.3334 -6.3327 -6.3327 -4.8875 -4.8875 -4.8848 -4.8848 -4.5777 -4.5777 -4.5741 -4.5741 -4.3126 -4.3126 -4.3106 -4.3106 -4.0379 -4.0379 -4.0286 -4.0286 -0.9073 -0.9073 -0.8920 -0.8920 -0.6722 -0.6722 -0.6530 -0.6530 -0.5113 -0.5113 -0.4939 -0.4939 -0.3441 -0.3441 -0.3226 -0.3226 2.9233 2.9233 2.9275 2.9275 3.1800 3.1800 3.1832 3.1832 9.8132 9.8132 9.8146 9.8146 k = 0.5000-0.0000 0.0788 ( 6810 PWs) bands (ev): -24.0355 -24.0355 -24.0355 -24.0355 -23.9794 -23.9794 -23.9794 -23.9794 -13.8177 -13.8177 -13.8177 -13.8177 -13.7824 -13.7824 -13.7824 -13.7824 -6.4228 -6.4228 -6.4225 -6.4225 -6.3351 -6.3351 -6.3345 -6.3345 -4.8936 -4.8936 -4.8913 -4.8913 -4.5777 -4.5777 -4.5747 -4.5747 -4.3113 -4.3113 -4.3096 -4.3096 -4.0300 -4.0300 -4.0221 -4.0221 -0.9069 -0.9069 -0.8935 -0.8935 -0.6655 -0.6655 -0.6483 -0.6483 -0.5162 -0.5162 -0.5009 -0.5009 -0.3458 -0.3458 -0.3268 -0.3268 2.9194 2.9194 2.9231 2.9231 3.1823 3.1823 3.1851 3.1851 9.8257 9.8257 9.8270 9.8270 k = 0.5000-0.0000 0.0657 ( 6814 PWs) bands (ev): -24.0361 -24.0361 -24.0360 -24.0360 -23.9788 -23.9788 -23.9788 -23.9788 -13.8163 -13.8163 -13.8162 -13.8162 -13.7839 -13.7839 -13.7839 -13.7839 -6.4207 -6.4207 -6.4203 -6.4203 -6.3368 -6.3368 -6.3362 -6.3362 -4.8989 -4.8989 -4.8969 -4.8969 -4.5777 -4.5777 -4.5752 -4.5752 -4.3102 -4.3102 -4.3087 -4.3087 -4.0232 -4.0232 -4.0166 -4.0166 -0.9063 -0.9063 -0.8950 -0.8950 -0.6593 -0.6593 -0.6443 -0.6443 -0.5203 -0.5203 -0.5072 -0.5072 -0.3471 -0.3471 -0.3309 -0.3309 2.9162 2.9162 2.9192 2.9192 3.1843 3.1843 3.1866 3.1866 9.8363 9.8363 9.8374 9.8374 k = 0.5000-0.0000 0.0525 ( 6810 PWs) bands (ev): -24.0365 -24.0365 -24.0365 -24.0365 -23.9783 -23.9783 -23.9783 -23.9783 -13.8149 -13.8149 -13.8149 -13.8149 -13.7853 -13.7853 -13.7853 -13.7853 -6.4188 -6.4188 -6.4184 -6.4184 -6.3382 -6.3382 -6.3377 -6.3377 -4.9032 -4.9032 -4.9016 -4.9016 -4.5776 -4.5776 -4.5757 -4.5757 -4.3093 -4.3093 -4.3081 -4.3081 -4.0173 -4.0173 -4.0121 -4.0121 -0.9055 -0.9055 -0.8964 -0.8964 -0.6535 -0.6535 -0.6411 -0.6411 -0.5237 -0.5237 -0.5129 -0.5129 -0.3480 -0.3480 -0.3347 -0.3347 2.9136 2.9136 2.9160 2.9160 3.1860 3.1860 3.1878 3.1878 9.8449 9.8449 9.8458 9.8458 k = 0.5000-0.0000 0.0394 ( 6810 PWs) bands (ev): -24.0369 -24.0369 -24.0369 -24.0369 -23.9779 -23.9779 -23.9779 -23.9779 -13.8137 -13.8137 -13.8137 -13.8137 -13.7865 -13.7865 -13.7865 -13.7865 -6.4172 -6.4172 -6.4169 -6.4169 -6.3394 -6.3394 -6.3389 -6.3389 -4.9065 -4.9065 -4.9053 -4.9053 -4.5775 -4.5775 -4.5761 -4.5761 -4.3085 -4.3085 -4.3076 -4.3076 -4.0126 -4.0126 -4.0087 -4.0087 -0.9047 -0.9047 -0.8977 -0.8977 -0.6485 -0.6485 -0.6388 -0.6388 -0.5261 -0.5261 -0.5177 -0.5177 -0.3484 -0.3484 -0.3382 -0.3382 2.9116 2.9116 2.9134 2.9134 3.1873 3.1873 3.1887 3.1887 9.8516 9.8516 9.8522 9.8522 k = 0.5000-0.0000 0.0263 ( 6814 PWs) bands (ev): -24.0372 -24.0372 -24.0372 -24.0372 -23.9776 -23.9776 -23.9776 -23.9776 -13.8128 -13.8128 -13.8128 -13.8128 -13.7875 -13.7875 -13.7875 -13.7875 -6.4161 -6.4161 -6.4157 -6.4157 -6.3402 -6.3402 -6.3399 -6.3399 -4.9088 -4.9088 -4.9080 -4.9080 -4.5774 -4.5774 -4.5764 -4.5764 -4.3080 -4.3080 -4.3073 -4.3073 -4.0090 -4.0090 -4.0064 -4.0064 -0.9037 -0.9037 -0.8991 -0.8991 -0.6442 -0.6442 -0.6376 -0.6376 -0.5275 -0.5275 -0.5218 -0.5218 -0.3482 -0.3482 -0.3413 -0.3413 2.9102 2.9102 2.9114 2.9114 3.1884 3.1884 3.1893 3.1893 9.8563 9.8563 9.8568 9.8568 k = 0.5000-0.0000 0.0131 ( 6818 PWs) bands (ev): -24.0373 -24.0373 -24.0373 -24.0373 -23.9775 -23.9775 -23.9774 -23.9774 -13.8122 -13.8122 -13.8122 -13.8122 -13.7881 -13.7881 -13.7881 -13.7881 -6.4153 -6.4153 -6.4150 -6.4150 -6.3408 -6.3408 -6.3404 -6.3404 -4.9102 -4.9102 -4.9098 -4.9098 -4.5773 -4.5773 -4.5767 -4.5767 -4.3076 -4.3076 -4.3072 -4.3072 -4.0066 -4.0066 -4.0053 -4.0053 -0.9027 -0.9027 -0.9003 -0.9003 -0.6409 -0.6409 -0.6375 -0.6375 -0.5277 -0.5277 -0.5248 -0.5248 -0.3474 -0.3474 -0.3439 -0.3439 2.9095 2.9095 2.9101 2.9101 3.1891 3.1891 3.1896 3.1896 9.8592 9.8592 9.8594 9.8594 k = 0.5000-0.0000-0.0000 ( 6818 PWs) bands (ev): -24.0374 -24.0374 -24.0374 -24.0374 -23.9774 -23.9774 -23.9774 -23.9774 -13.8120 -13.8120 -13.8120 -13.8120 -13.7883 -13.7883 -13.7883 -13.7883 -6.4151 -6.4151 -6.4148 -6.4148 -6.3410 -6.3410 -6.3406 -6.3406 -4.9105 -4.9105 -4.9104 -4.9104 -4.5771 -4.5771 -4.5769 -4.5769 -4.3075 -4.3075 -4.3071 -4.3071 -4.0054 -4.0054 -4.0053 -4.0053 -0.9016 -0.9016 -0.9015 -0.9015 -0.6387 -0.6387 -0.6386 -0.6386 -0.5269 -0.5269 -0.5268 -0.5268 -0.3460 -0.3460 -0.3459 -0.3459 2.9095 2.9095 2.9095 2.9095 3.1894 3.1894 3.1895 3.1895 9.8602 9.8602 9.8602 9.8602 k = 0.0000 0.0000 0.3415 ( 6766 PWs) bands (ev): -24.0652 -24.0652 -24.0648 -24.0648 -23.9697 -23.9697 -23.9693 -23.9693 -14.0024 -14.0024 -14.0024 -14.0024 -13.5167 -13.5167 -13.5167 -13.5167 -6.6159 -6.6159 -6.6157 -6.6157 -6.0976 -6.0976 -6.0975 -6.0975 -4.5836 -4.5836 -4.5833 -4.5833 -4.5306 -4.5306 -4.5306 -4.5306 -4.3391 -4.3391 -4.3390 -4.3390 -4.1200 -4.1200 -4.1196 -4.1196 -1.1069 -1.1069 -1.1069 -1.1069 -0.8930 -0.8930 -0.8930 -0.8930 -0.5736 -0.5736 -0.5736 -0.5736 -0.2428 -0.2428 -0.2428 -0.2428 2.9128 2.9128 2.9129 2.9129 3.2843 3.2843 3.2844 3.2844 9.1326 9.1326 9.1327 9.1327 k = 0.0135-0.0000 0.3415 ( 6774 PWs) bands (ev): -24.0651 -24.0651 -24.0647 -24.0647 -23.9697 -23.9697 -23.9693 -23.9693 -14.0023 -14.0023 -14.0023 -14.0023 -13.5170 -13.5170 -13.5170 -13.5170 -6.6158 -6.6158 -6.6156 -6.6156 -6.0978 -6.0978 -6.0976 -6.0976 -4.5840 -4.5840 -4.5833 -4.5833 -4.5314 -4.5314 -4.5296 -4.5296 -4.3395 -4.3395 -4.3392 -4.3392 -4.1205 -4.1205 -4.1195 -4.1195 -1.1067 -1.1067 -1.1062 -1.1062 -0.8931 -0.8931 -0.8927 -0.8927 -0.5734 -0.5734 -0.5728 -0.5728 -0.2432 -0.2432 -0.2426 -0.2426 2.9131 2.9131 2.9132 2.9132 3.2836 3.2836 3.2839 3.2839 9.1340 9.1340 9.1342 9.1342 k = 0.0270-0.0000 0.3415 ( 6778 PWs) bands (ev): -24.0650 -24.0650 -24.0646 -24.0646 -23.9698 -23.9698 -23.9694 -23.9694 -14.0018 -14.0018 -14.0018 -14.0018 -13.5179 -13.5179 -13.5179 -13.5179 -6.6157 -6.6157 -6.6155 -6.6155 -6.0981 -6.0981 -6.0979 -6.0979 -4.5848 -4.5848 -4.5835 -4.5835 -4.5320 -4.5320 -4.5285 -4.5285 -4.3405 -4.3405 -4.3399 -4.3399 -4.1217 -4.1217 -4.1197 -4.1197 -1.1055 -1.1055 -1.1046 -1.1046 -0.8929 -0.8929 -0.8921 -0.8921 -0.5722 -0.5722 -0.5709 -0.5709 -0.2437 -0.2437 -0.2426 -0.2426 2.9140 2.9140 2.9143 2.9143 3.2817 3.2817 3.2822 3.2822 9.1383 9.1383 9.1387 9.1387 k = 0.0405-0.0000 0.3415 ( 6776 PWs) bands (ev): -24.0647 -24.0647 -24.0643 -24.0643 -23.9699 -23.9699 -23.9695 -23.9695 -14.0011 -14.0011 -14.0011 -14.0011 -13.5194 -13.5194 -13.5194 -13.5194 -6.6154 -6.6154 -6.6152 -6.6152 -6.0987 -6.0987 -6.0985 -6.0985 -4.5859 -4.5859 -4.5842 -4.5842 -4.5324 -4.5324 -4.5272 -4.5272 -4.3420 -4.3420 -4.3411 -4.3411 -4.1233 -4.1233 -4.1203 -4.1203 -1.1034 -1.1034 -1.1021 -1.1021 -0.8924 -0.8924 -0.8912 -0.8912 -0.5700 -0.5700 -0.5681 -0.5681 -0.2444 -0.2444 -0.2428 -0.2428 2.9155 2.9155 2.9159 2.9159 3.2786 3.2786 3.2794 3.2794 9.1453 9.1453 9.1459 9.1459 k = 0.0541-0.0000 0.3415 ( 6780 PWs) bands (ev): -24.0643 -24.0643 -24.0638 -24.0638 -23.9701 -23.9701 -23.9697 -23.9697 -14.0000 -14.0000 -14.0000 -14.0000 -13.5214 -13.5214 -13.5214 -13.5214 -6.6150 -6.6150 -6.6147 -6.6147 -6.0995 -6.0995 -6.0993 -6.0993 -4.5874 -4.5874 -4.5853 -4.5853 -4.5326 -4.5326 -4.5258 -4.5258 -4.3441 -4.3441 -4.3429 -4.3429 -4.1253 -4.1253 -4.1214 -4.1214 -1.1005 -1.1005 -1.0987 -1.0987 -0.8916 -0.8916 -0.8900 -0.8900 -0.5668 -0.5668 -0.5642 -0.5642 -0.2453 -0.2453 -0.2431 -0.2431 2.9177 2.9177 2.9182 2.9182 3.2744 3.2744 3.2755 3.2755 9.1551 9.1551 9.1558 9.1558 k = 0.0676-0.0000 0.3415 ( 6778 PWs) bands (ev): -24.0637 -24.0637 -24.0633 -24.0633 -23.9703 -23.9703 -23.9699 -23.9699 -13.9987 -13.9987 -13.9987 -13.9987 -13.5240 -13.5240 -13.5240 -13.5240 -6.6145 -6.6145 -6.6141 -6.6141 -6.1006 -6.1006 -6.1003 -6.1003 -4.5893 -4.5893 -4.5868 -4.5868 -4.5325 -4.5325 -4.5243 -4.5243 -4.3466 -4.3466 -4.3451 -4.3451 -4.1277 -4.1277 -4.1228 -4.1228 -1.0967 -1.0967 -1.0945 -1.0945 -0.8905 -0.8905 -0.8886 -0.8886 -0.5627 -0.5627 -0.5594 -0.5594 -0.2463 -0.2463 -0.2436 -0.2436 2.9204 2.9204 2.9210 2.9210 3.2692 3.2692 3.2705 3.2705 9.1673 9.1673 9.1682 9.1682 k = 0.0811-0.0000 0.3415 ( 6776 PWs) bands (ev): -24.0631 -24.0631 -24.0627 -24.0627 -23.9706 -23.9706 -23.9702 -23.9702 -13.9970 -13.9970 -13.9970 -13.9970 -13.5272 -13.5272 -13.5272 -13.5272 -6.6138 -6.6138 -6.6134 -6.6134 -6.1019 -6.1019 -6.1017 -6.1017 -4.5916 -4.5916 -4.5890 -4.5890 -4.5322 -4.5322 -4.5226 -4.5226 -4.3495 -4.3495 -4.3478 -4.3478 -4.1305 -4.1305 -4.1245 -4.1245 -1.0921 -1.0921 -1.0894 -1.0894 -0.8892 -0.8892 -0.8868 -0.8868 -0.5577 -0.5577 -0.5537 -0.5537 -0.2476 -0.2476 -0.2442 -0.2442 2.9236 2.9236 2.9243 2.9243 3.2631 3.2631 3.2647 3.2647 9.1817 9.1817 9.1829 9.1829 k = 0.0946-0.0000 0.3415 ( 6772 PWs) bands (ev): -24.0623 -24.0623 -24.0619 -24.0619 -23.9709 -23.9709 -23.9705 -23.9705 -13.9951 -13.9951 -13.9951 -13.9951 -13.5310 -13.5310 -13.5309 -13.5309 -6.6130 -6.6130 -6.6125 -6.6125 -6.1036 -6.1036 -6.1033 -6.1033 -4.5944 -4.5944 -4.5917 -4.5917 -4.5316 -4.5316 -4.5208 -4.5208 -4.3527 -4.3527 -4.3508 -4.3508 -4.1336 -4.1336 -4.1266 -4.1266 -1.0867 -1.0867 -1.0835 -1.0835 -0.8877 -0.8877 -0.8848 -0.8848 -0.5519 -0.5519 -0.5472 -0.5472 -0.2490 -0.2490 -0.2450 -0.2450 2.9272 2.9272 2.9280 2.9280 3.2563 3.2563 3.2581 3.2581 9.1982 9.1982 9.1995 9.1995 k = 0.1081-0.0000 0.3415 ( 6764 PWs) bands (ev): -24.0614 -24.0614 -24.0610 -24.0610 -23.9713 -23.9713 -23.9709 -23.9709 -13.9928 -13.9928 -13.9928 -13.9928 -13.5352 -13.5352 -13.5352 -13.5352 -6.6120 -6.6120 -6.6114 -6.6114 -6.1055 -6.1055 -6.1052 -6.1052 -4.5976 -4.5976 -4.5950 -4.5950 -4.5308 -4.5308 -4.5189 -4.5189 -4.3562 -4.3562 -4.3541 -4.3541 -4.1369 -4.1369 -4.1288 -4.1288 -1.0806 -1.0806 -1.0768 -1.0768 -0.8858 -0.8858 -0.8826 -0.8826 -0.5453 -0.5453 -0.5398 -0.5398 -0.2506 -0.2506 -0.2460 -0.2460 2.9312 2.9312 2.9320 2.9320 3.2488 3.2488 3.2508 3.2508 9.2162 9.2162 9.2178 9.2178 k = 0.1216-0.0000 0.3415 ( 6768 PWs) bands (ev): -24.0604 -24.0604 -24.0600 -24.0600 -23.9717 -23.9717 -23.9713 -23.9713 -13.9903 -13.9903 -13.9903 -13.9903 -13.5400 -13.5400 -13.5400 -13.5400 -6.6107 -6.6107 -6.6101 -6.6101 -6.1078 -6.1078 -6.1075 -6.1075 -4.6013 -4.6013 -4.5989 -4.5989 -4.5299 -4.5299 -4.5169 -4.5169 -4.3599 -4.3599 -4.3576 -4.3576 -4.1404 -4.1404 -4.1313 -4.1313 -1.0738 -1.0738 -1.0695 -1.0695 -0.8838 -0.8838 -0.8800 -0.8800 -0.5381 -0.5381 -0.5318 -0.5318 -0.2525 -0.2525 -0.2472 -0.2472 2.9354 2.9354 2.9363 2.9363 3.2409 3.2409 3.2431 3.2431 9.2356 9.2356 9.2374 9.2374 k = 0.1351-0.0000 0.3415 ( 6774 PWs) bands (ev): -24.0594 -24.0594 -24.0589 -24.0589 -23.9722 -23.9722 -23.9718 -23.9718 -13.9875 -13.9875 -13.9875 -13.9875 -13.5453 -13.5453 -13.5453 -13.5453 -6.6093 -6.6093 -6.6086 -6.6086 -6.1104 -6.1104 -6.1101 -6.1101 -4.6056 -4.6056 -4.6034 -4.6034 -4.5287 -4.5287 -4.5149 -4.5149 -4.3637 -4.3637 -4.3612 -4.3612 -4.1442 -4.1442 -4.1339 -4.1339 -1.0664 -1.0664 -1.0615 -1.0615 -0.8815 -0.8815 -0.8772 -0.8772 -0.5302 -0.5302 -0.5231 -0.5231 -0.2545 -0.2545 -0.2486 -0.2486 2.9398 2.9398 2.9407 2.9407 3.2326 3.2326 3.2351 3.2351 9.2558 9.2558 9.2578 9.2578 k = 0.1486-0.0000 0.3415 ( 6780 PWs) bands (ev): -24.0582 -24.0582 -24.0578 -24.0578 -23.9728 -23.9728 -23.9724 -23.9724 -13.9843 -13.9843 -13.9843 -13.9843 -13.5511 -13.5511 -13.5511 -13.5511 -6.6075 -6.6075 -6.6068 -6.6068 -6.1134 -6.1134 -6.1131 -6.1131 -4.6105 -4.6105 -4.6085 -4.6085 -4.5275 -4.5275 -4.5128 -4.5128 -4.3674 -4.3674 -4.3648 -4.3648 -4.1480 -4.1480 -4.1365 -4.1365 -1.0585 -1.0585 -1.0529 -1.0529 -0.8789 -0.8789 -0.8740 -0.8740 -0.5219 -0.5219 -0.5139 -0.5139 -0.2568 -0.2568 -0.2501 -0.2501 2.9442 2.9442 2.9452 2.9452 3.2243 3.2243 3.2270 3.2270 9.2766 9.2766 9.2787 9.2787 k = 0.1622-0.0000 0.3415 ( 6786 PWs) bands (ev): -24.0569 -24.0569 -24.0565 -24.0565 -23.9734 -23.9734 -23.9730 -23.9730 -13.9809 -13.9809 -13.9809 -13.9809 -13.5574 -13.5574 -13.5573 -13.5573 -6.6055 -6.6055 -6.6048 -6.6048 -6.1168 -6.1168 -6.1165 -6.1165 -4.6158 -4.6158 -4.6142 -4.6142 -4.5263 -4.5263 -4.5107 -4.5107 -4.3711 -4.3711 -4.3684 -4.3684 -4.1518 -4.1518 -4.1392 -4.1392 -1.0502 -1.0502 -1.0438 -1.0438 -0.8762 -0.8762 -0.8706 -0.8706 -0.5132 -0.5132 -0.5042 -0.5042 -0.2593 -0.2593 -0.2518 -0.2518 2.9487 2.9487 2.9496 2.9496 3.2160 3.2160 3.2189 3.2189 9.2973 9.2973 9.2997 9.2997 k = 0.1757-0.0000 0.3415 ( 6796 PWs) bands (ev): -24.0555 -24.0555 -24.0551 -24.0551 -23.9741 -23.9741 -23.9737 -23.9737 -13.9772 -13.9772 -13.9772 -13.9772 -13.5640 -13.5640 -13.5640 -13.5640 -6.6032 -6.6032 -6.6024 -6.6024 -6.1207 -6.1207 -6.1204 -6.1204 -4.6216 -4.6216 -4.6203 -4.6203 -4.5251 -4.5251 -4.5088 -4.5088 -4.3747 -4.3747 -4.3719 -4.3719 -4.1557 -4.1557 -4.1419 -4.1419 -1.0415 -1.0415 -1.0343 -1.0343 -0.8732 -0.8732 -0.8669 -0.8669 -0.5041 -0.5041 -0.4942 -0.4942 -0.2620 -0.2620 -0.2537 -0.2537 2.9530 2.9530 2.9539 2.9539 3.2080 3.2080 3.2109 3.2109 9.3177 9.3177 9.3202 9.3202 k = 0.1892-0.0000 0.3415 ( 6794 PWs) bands (ev): -24.0540 -24.0540 -24.0536 -24.0536 -23.9748 -23.9748 -23.9744 -23.9744 -13.9732 -13.9732 -13.9732 -13.9732 -13.5711 -13.5711 -13.5711 -13.5711 -6.6005 -6.6005 -6.5997 -6.5997 -6.1250 -6.1250 -6.1247 -6.1247 -4.6278 -4.6278 -4.6269 -4.6269 -4.5241 -4.5241 -4.5070 -4.5070 -4.3780 -4.3780 -4.3751 -4.3751 -4.1595 -4.1595 -4.1445 -4.1445 -1.0324 -1.0324 -1.0243 -1.0243 -0.8700 -0.8700 -0.8628 -0.8628 -0.4949 -0.4949 -0.4840 -0.4840 -0.2649 -0.2649 -0.2558 -0.2558 2.9570 2.9570 2.9579 2.9579 3.2004 3.2004 3.2034 3.2034 9.3374 9.3374 9.3400 9.3400 k = 0.2027-0.0000 0.3415 ( 6792 PWs) bands (ev): -24.0525 -24.0525 -24.0521 -24.0521 -23.9756 -23.9756 -23.9752 -23.9752 -13.9689 -13.9689 -13.9689 -13.9689 -13.5786 -13.5786 -13.5786 -13.5786 -6.5974 -6.5974 -6.5966 -6.5966 -6.1298 -6.1298 -6.1295 -6.1295 -4.6344 -4.6344 -4.6337 -4.6337 -4.5233 -4.5233 -4.5054 -4.5054 -4.3810 -4.3810 -4.3781 -4.3781 -4.1632 -4.1632 -4.1470 -4.1470 -1.0232 -1.0232 -1.0141 -1.0141 -0.8666 -0.8666 -0.8585 -0.8585 -0.4856 -0.4856 -0.4736 -0.4736 -0.2680 -0.2680 -0.2579 -0.2579 2.9609 2.9609 2.9616 2.9616 3.1932 3.1932 3.1963 3.1963 9.3560 9.3560 9.3587 9.3587 k = 0.2162-0.0000 0.3415 ( 6792 PWs) bands (ev): -24.0508 -24.0508 -24.0504 -24.0504 -23.9764 -23.9764 -23.9760 -23.9760 -13.9644 -13.9644 -13.9643 -13.9643 -13.5865 -13.5865 -13.5865 -13.5865 -6.5940 -6.5940 -6.5932 -6.5932 -6.1351 -6.1351 -6.1348 -6.1348 -4.6413 -4.6413 -4.6408 -4.6408 -4.5228 -4.5228 -4.5042 -4.5042 -4.3836 -4.3836 -4.3808 -4.3808 -4.1668 -4.1668 -4.1494 -4.1494 -1.0138 -1.0138 -1.0036 -1.0036 -0.8630 -0.8630 -0.8538 -0.8538 -0.4763 -0.4763 -0.4633 -0.4633 -0.2713 -0.2713 -0.2603 -0.2603 2.9644 2.9644 2.9649 2.9649 3.1867 3.1867 3.1897 3.1897 9.3732 9.3732 9.3760 9.3760 k = 0.2297-0.0000 0.3415 ( 6794 PWs) bands (ev): -24.0491 -24.0491 -24.0487 -24.0487 -23.9773 -23.9773 -23.9769 -23.9769 -13.9595 -13.9595 -13.9595 -13.9595 -13.5947 -13.5947 -13.5947 -13.5947 -6.5902 -6.5902 -6.5893 -6.5893 -6.1409 -6.1409 -6.1407 -6.1407 -4.6484 -4.6484 -4.6480 -4.6480 -4.5227 -4.5227 -4.5033 -4.5033 -4.3858 -4.3858 -4.3830 -4.3830 -4.1702 -4.1702 -4.1517 -4.1517 -1.0043 -1.0043 -0.9930 -0.9930 -0.8592 -0.8592 -0.8488 -0.8488 -0.4672 -0.4672 -0.4530 -0.4530 -0.2748 -0.2748 -0.2627 -0.2627 2.9676 2.9676 2.9679 2.9679 3.1808 3.1808 3.1838 3.1838 9.3888 9.3888 9.3917 9.3917 k = 0.2432-0.0000 0.3415 ( 6800 PWs) bands (ev): -24.0474 -24.0474 -24.0469 -24.0469 -23.9783 -23.9783 -23.9778 -23.9778 -13.9544 -13.9544 -13.9544 -13.9544 -13.6032 -13.6032 -13.6032 -13.6032 -6.5859 -6.5859 -6.5851 -6.5851 -6.1473 -6.1473 -6.1471 -6.1471 -4.6556 -4.6556 -4.6552 -4.6552 -4.5231 -4.5231 -4.5030 -4.5030 -4.3875 -4.3875 -4.3849 -4.3849 -4.1734 -4.1734 -4.1537 -4.1537 -0.9949 -0.9949 -0.9823 -0.9823 -0.8551 -0.8551 -0.8434 -0.8434 -0.4583 -0.4583 -0.4429 -0.4429 -0.2785 -0.2785 -0.2652 -0.2652 2.9704 2.9704 2.9706 2.9706 3.1757 3.1757 3.1785 3.1785 9.4028 9.4028 9.4056 9.4056 k = 0.2568-0.0000 0.3415 ( 6796 PWs) bands (ev): -24.0455 -24.0455 -24.0451 -24.0451 -23.9793 -23.9793 -23.9789 -23.9789 -13.9490 -13.9490 -13.9490 -13.9490 -13.6120 -13.6120 -13.6119 -13.6119 -6.5812 -6.5812 -6.5804 -6.5804 -6.1543 -6.1543 -6.1541 -6.1541 -4.6628 -4.6628 -4.6623 -4.6623 -4.5240 -4.5240 -4.5032 -4.5032 -4.3887 -4.3887 -4.3862 -4.3862 -4.1763 -4.1763 -4.1556 -4.1556 -0.9856 -0.9856 -0.9716 -0.9716 -0.8509 -0.8509 -0.8377 -0.8377 -0.4498 -0.4498 -0.4331 -0.4331 -0.2823 -0.2823 -0.2678 -0.2678 2.9728 2.9728 2.9731 2.9731 3.1711 3.1711 3.1738 3.1738 9.4150 9.4150 9.4178 9.4178 k = 0.2703-0.0000 0.3415 ( 6804 PWs) bands (ev): -24.0436 -24.0436 -24.0432 -24.0432 -23.9804 -23.9804 -23.9799 -23.9799 -13.9434 -13.9434 -13.9433 -13.9433 -13.6210 -13.6210 -13.6210 -13.6210 -6.5760 -6.5760 -6.5752 -6.5752 -6.1618 -6.1618 -6.1616 -6.1616 -4.6699 -4.6699 -4.6693 -4.6693 -4.5255 -4.5255 -4.5040 -4.5040 -4.3894 -4.3894 -4.3871 -4.3871 -4.1790 -4.1790 -4.1572 -4.1572 -0.9765 -0.9765 -0.9610 -0.9610 -0.8464 -0.8464 -0.8317 -0.8317 -0.4418 -0.4418 -0.4237 -0.4237 -0.2863 -0.2863 -0.2704 -0.2704 2.9749 2.9749 2.9756 2.9756 3.1672 3.1672 3.1697 3.1697 9.4256 9.4256 9.4283 9.4283 k = 0.2838-0.0000 0.3415 ( 6804 PWs) bands (ev): -24.0417 -24.0417 -24.0412 -24.0412 -23.9815 -23.9815 -23.9811 -23.9811 -13.9374 -13.9374 -13.9374 -13.9374 -13.6303 -13.6303 -13.6302 -13.6302 -6.5704 -6.5704 -6.5696 -6.5696 -6.1699 -6.1699 -6.1697 -6.1697 -4.6766 -4.6766 -4.6761 -4.6761 -4.5276 -4.5276 -4.5054 -4.5054 -4.3896 -4.3896 -4.3875 -4.3875 -4.1815 -4.1815 -4.1586 -4.1586 -0.9677 -0.9677 -0.9506 -0.9506 -0.8418 -0.8418 -0.8254 -0.8254 -0.4343 -0.4343 -0.4147 -0.4147 -0.2903 -0.2903 -0.2730 -0.2730 2.9770 2.9770 2.9781 2.9781 3.1637 3.1637 3.1660 3.1660 9.4346 9.4346 9.4372 9.4372 k = 0.2973-0.0000 0.3415 ( 6792 PWs) bands (ev): -24.0396 -24.0396 -24.0392 -24.0392 -23.9827 -23.9827 -23.9823 -23.9823 -13.9313 -13.9313 -13.9313 -13.9313 -13.6397 -13.6397 -13.6396 -13.6396 -6.5643 -6.5643 -6.5635 -6.5635 -6.1785 -6.1785 -6.1783 -6.1783 -4.6831 -4.6831 -4.6825 -4.6825 -4.5302 -4.5302 -4.5075 -4.5075 -4.3892 -4.3892 -4.3875 -4.3875 -4.1837 -4.1837 -4.1599 -4.1599 -0.9593 -0.9593 -0.9405 -0.9405 -0.8369 -0.8369 -0.8188 -0.8188 -0.4274 -0.4274 -0.4063 -0.4063 -0.2944 -0.2944 -0.2755 -0.2755 2.9790 2.9790 2.9806 2.9806 3.1606 3.1606 3.1626 3.1626 9.4422 9.4422 9.4447 9.4447 k = 0.3108-0.0000 0.3415 ( 6792 PWs) bands (ev): -24.0376 -24.0376 -24.0372 -24.0372 -23.9840 -23.9840 -23.9836 -23.9836 -13.9249 -13.9249 -13.9249 -13.9249 -13.6493 -13.6493 -13.6492 -13.6492 -6.5577 -6.5577 -6.5570 -6.5570 -6.1876 -6.1876 -6.1874 -6.1874 -4.6891 -4.6891 -4.6885 -4.6885 -4.5334 -4.5334 -4.5101 -4.5101 -4.3884 -4.3884 -4.3870 -4.3870 -4.1856 -4.1856 -4.1609 -4.1609 -0.9512 -0.9512 -0.9308 -0.9308 -0.8318 -0.8318 -0.8119 -0.8119 -0.4212 -0.4212 -0.3985 -0.3985 -0.2985 -0.2985 -0.2780 -0.2780 2.9812 2.9812 2.9832 2.9832 3.1576 3.1576 3.1593 3.1593 9.4487 9.4487 9.4511 9.4511 k = 0.3243-0.0000 0.3415 ( 6796 PWs) bands (ev): -24.0355 -24.0355 -24.0351 -24.0351 -23.9853 -23.9853 -23.9849 -23.9849 -13.9183 -13.9183 -13.9182 -13.9182 -13.6590 -13.6590 -13.6589 -13.6589 -6.5507 -6.5507 -6.5500 -6.5500 -6.1973 -6.1973 -6.1970 -6.1970 -4.6946 -4.6946 -4.6941 -4.6941 -4.5370 -4.5370 -4.5132 -4.5132 -4.3873 -4.3873 -4.3862 -4.3862 -4.1873 -4.1873 -4.1618 -4.1618 -0.9436 -0.9436 -0.9216 -0.9216 -0.8265 -0.8265 -0.8049 -0.8049 -0.4158 -0.4158 -0.3914 -0.3914 -0.3026 -0.3026 -0.2803 -0.2803 2.9837 2.9837 2.9862 2.9862 3.1548 3.1548 3.1561 3.1561 9.4543 9.4543 9.4567 9.4567 k = 0.3378-0.0000 0.3415 ( 6798 PWs) bands (ev): -24.0334 -24.0334 -24.0330 -24.0330 -23.9867 -23.9867 -23.9863 -23.9863 -13.9114 -13.9114 -13.9114 -13.9114 -13.6687 -13.6687 -13.6687 -13.6687 -6.5432 -6.5432 -6.5426 -6.5426 -6.2073 -6.2073 -6.2071 -6.2071 -4.6996 -4.6996 -4.6992 -4.6992 -4.5411 -4.5411 -4.5168 -4.5168 -4.3858 -4.3858 -4.3850 -4.3850 -4.1888 -4.1888 -4.1625 -4.1625 -0.9365 -0.9365 -0.9129 -0.9129 -0.8210 -0.8210 -0.7977 -0.7977 -0.4111 -0.4111 -0.3849 -0.3849 -0.3067 -0.3067 -0.2825 -0.2825 2.9865 2.9865 2.9895 2.9895 3.1519 3.1519 3.1529 3.1529 9.4594 9.4594 9.4616 9.4616 k = 0.3514-0.0000 0.3415 ( 6794 PWs) bands (ev): -24.0313 -24.0313 -24.0309 -24.0309 -23.9881 -23.9881 -23.9877 -23.9877 -13.9044 -13.9044 -13.9044 -13.9044 -13.6786 -13.6786 -13.6785 -13.6785 -6.5354 -6.5354 -6.5347 -6.5347 -6.2178 -6.2178 -6.2174 -6.2174 -4.7040 -4.7040 -4.7036 -4.7036 -4.5454 -4.5454 -4.5207 -4.5207 -4.3842 -4.3842 -4.3837 -4.3837 -4.1901 -4.1901 -4.1630 -4.1630 -0.9299 -0.9299 -0.9049 -0.9049 -0.8154 -0.8154 -0.7905 -0.7905 -0.4072 -0.4072 -0.3792 -0.3792 -0.3106 -0.3106 -0.2845 -0.2845 2.9897 2.9897 2.9932 2.9932 3.1489 3.1489 3.1495 3.1495 9.4641 9.4641 9.4661 9.4661 k = 0.3649-0.0000 0.3415 ( 6798 PWs) bands (ev): -24.0291 -24.0291 -24.0287 -24.0287 -23.9897 -23.9897 -23.9892 -23.9892 -13.8972 -13.8972 -13.8972 -13.8972 -13.6884 -13.6884 -13.6883 -13.6883 -6.5272 -6.5272 -6.5266 -6.5266 -6.2285 -6.2285 -6.2281 -6.2281 -4.7080 -4.7080 -4.7075 -4.7075 -4.5500 -4.5500 -4.5249 -4.5249 -4.3825 -4.3825 -4.3820 -4.3820 -4.1912 -4.1912 -4.1634 -4.1634 -0.9238 -0.9238 -0.8976 -0.8976 -0.8097 -0.8097 -0.7833 -0.7833 -0.4041 -0.4041 -0.3743 -0.3743 -0.3142 -0.3142 -0.2863 -0.2863 2.9934 2.9934 2.9975 2.9975 3.1456 3.1456 3.1458 3.1458 9.4688 9.4688 9.4707 9.4707 k = 0.3784-0.0000 0.3415 ( 6804 PWs) bands (ev): -24.0270 -24.0270 -24.0265 -24.0265 -23.9912 -23.9912 -23.9908 -23.9908 -13.8899 -13.8899 -13.8899 -13.8899 -13.6981 -13.6981 -13.6981 -13.6981 -6.5187 -6.5187 -6.5182 -6.5182 -6.2394 -6.2394 -6.2390 -6.2390 -4.7114 -4.7114 -4.7108 -4.7108 -4.5547 -4.5547 -4.5291 -4.5291 -4.3808 -4.3808 -4.3802 -4.3802 -4.1921 -4.1921 -4.1637 -4.1637 -0.9183 -0.9183 -0.8910 -0.8910 -0.8041 -0.8041 -0.7764 -0.7764 -0.4016 -0.4016 -0.3701 -0.3701 -0.3177 -0.3177 -0.2879 -0.2879 2.9975 2.9975 3.0022 3.0022 3.1417 3.1417 3.1421 3.1421 9.4737 9.4737 9.4754 9.4754 k = 0.3919-0.0000 0.3415 ( 6802 PWs) bands (ev): -24.0248 -24.0248 -24.0244 -24.0244 -23.9928 -23.9928 -23.9924 -23.9924 -13.8826 -13.8826 -13.8825 -13.8825 -13.7077 -13.7077 -13.7077 -13.7077 -6.5101 -6.5101 -6.5095 -6.5095 -6.2504 -6.2504 -6.2498 -6.2498 -4.7143 -4.7143 -4.7135 -4.7135 -4.5593 -4.5593 -4.5333 -4.5333 -4.3792 -4.3792 -4.3783 -4.3783 -4.1928 -4.1928 -4.1639 -4.1639 -0.9134 -0.9134 -0.8851 -0.8851 -0.7985 -0.7985 -0.7697 -0.7697 -0.3997 -0.3997 -0.3667 -0.3667 -0.3207 -0.3207 -0.2892 -0.2892 3.0020 3.0020 3.0073 3.0073 3.1374 3.1374 3.1382 3.1382 9.4790 9.4790 9.4806 9.4806 k = 0.4054-0.0000 0.3415 ( 6796 PWs) bands (ev): -24.0226 -24.0226 -24.0222 -24.0222 -23.9945 -23.9945 -23.9941 -23.9941 -13.8751 -13.8751 -13.8751 -13.8751 -13.7171 -13.7171 -13.7171 -13.7171 -6.5013 -6.5013 -6.5009 -6.5009 -6.2612 -6.2612 -6.2606 -6.2606 -4.7167 -4.7167 -4.7156 -4.7156 -4.5638 -4.5638 -4.5374 -4.5374 -4.3777 -4.3777 -4.3765 -4.3765 -4.1934 -4.1934 -4.1641 -4.1641 -0.9090 -0.9090 -0.8800 -0.8800 -0.7932 -0.7932 -0.7634 -0.7634 -0.3984 -0.3984 -0.3640 -0.3640 -0.3234 -0.3234 -0.2904 -0.2904 3.0069 3.0069 3.0129 3.0129 3.1327 3.1327 3.1342 3.1342 9.4850 9.4850 9.4865 9.4865 k = 0.4189-0.0000 0.3415 ( 6790 PWs) bands (ev): -24.0204 -24.0204 -24.0200 -24.0200 -23.9963 -23.9963 -23.9958 -23.9958 -13.8678 -13.8678 -13.8678 -13.8678 -13.7262 -13.7262 -13.7262 -13.7262 -6.4927 -6.4927 -6.4923 -6.4923 -6.2718 -6.2718 -6.2711 -6.2711 -4.7187 -4.7187 -4.7173 -4.7173 -4.5680 -4.5680 -4.5413 -4.5413 -4.3763 -4.3763 -4.3748 -4.3748 -4.1939 -4.1939 -4.1641 -4.1641 -0.9053 -0.9053 -0.8756 -0.8756 -0.7882 -0.7882 -0.7577 -0.7577 -0.3976 -0.3976 -0.3620 -0.3620 -0.3256 -0.3256 -0.2914 -0.2914 3.0120 3.0120 3.0187 3.0187 3.1278 3.1278 3.1299 3.1299 9.4919 9.4919 9.4932 9.4932 k = 0.4324-0.0000 0.3415 ( 6792 PWs) bands (ev): -24.0183 -24.0183 -24.0179 -24.0179 -23.9981 -23.9981 -23.9976 -23.9976 -13.8607 -13.8607 -13.8606 -13.8606 -13.7349 -13.7349 -13.7349 -13.7349 -6.4844 -6.4844 -6.4840 -6.4840 -6.2818 -6.2818 -6.2810 -6.2810 -4.7202 -4.7202 -4.7186 -4.7186 -4.5718 -4.5718 -4.5447 -4.5447 -4.3750 -4.3750 -4.3733 -4.3733 -4.1942 -4.1942 -4.1642 -4.1642 -0.9020 -0.9020 -0.8719 -0.8719 -0.7838 -0.7838 -0.7526 -0.7526 -0.3971 -0.3971 -0.3607 -0.3607 -0.3274 -0.3274 -0.2922 -0.2922 3.0171 3.0171 3.0247 3.0247 3.1226 3.1226 3.1255 3.1255 9.4998 9.4998 9.5010 9.5010 k = 0.4459-0.0000 0.3415 ( 6786 PWs) bands (ev): -24.0161 -24.0161 -24.0157 -24.0157 -23.9999 -23.9999 -23.9995 -23.9995 -13.8539 -13.8539 -13.8539 -13.8539 -13.7429 -13.7429 -13.7429 -13.7429 -6.4767 -6.4767 -6.4764 -6.4764 -6.2909 -6.2909 -6.2901 -6.2901 -4.7213 -4.7213 -4.7195 -4.7195 -4.5751 -4.5751 -4.5477 -4.5477 -4.3739 -4.3739 -4.3720 -4.3720 -4.1945 -4.1945 -4.1642 -4.1642 -0.8994 -0.8994 -0.8689 -0.8689 -0.7800 -0.7800 -0.7483 -0.7483 -0.3968 -0.3968 -0.3599 -0.3599 -0.3287 -0.3287 -0.2928 -0.2928 3.0220 3.0220 3.0306 3.0306 3.1175 3.1175 3.1213 3.1213 9.5090 9.5090 9.5099 9.5099 k = 0.4595-0.0000 0.3415 ( 6790 PWs) bands (ev): -24.0140 -24.0140 -24.0136 -24.0136 -24.0018 -24.0018 -24.0014 -24.0014 -13.8479 -13.8479 -13.8478 -13.8478 -13.7500 -13.7500 -13.7499 -13.7499 -6.4700 -6.4700 -6.4697 -6.4697 -6.2988 -6.2988 -6.2979 -6.2979 -4.7222 -4.7222 -4.7201 -4.7201 -4.5778 -4.5778 -4.5502 -4.5502 -4.3730 -4.3730 -4.3710 -4.3710 -4.1948 -4.1948 -4.1642 -4.1642 -0.8974 -0.8974 -0.8666 -0.8666 -0.7769 -0.7769 -0.7448 -0.7448 -0.3967 -0.3967 -0.3595 -0.3595 -0.3295 -0.3295 -0.2933 -0.2933 3.0265 3.0265 3.0360 3.0360 3.1127 3.1127 3.1174 3.1174 9.5193 9.5193 9.5201 9.5201 k = 0.4730-0.0000 0.3415 ( 6788 PWs) bands (ev): -24.0119 -24.0119 -24.0115 -24.0115 -24.0037 -24.0037 -24.0033 -24.0033 -13.8429 -13.8429 -13.8429 -13.8429 -13.7556 -13.7556 -13.7556 -13.7556 -6.4647 -6.4647 -6.4644 -6.4644 -6.3049 -6.3049 -6.3040 -6.3040 -4.7227 -4.7227 -4.7205 -4.7205 -4.5798 -4.5798 -4.5520 -4.5520 -4.3723 -4.3723 -4.3702 -4.3702 -4.1949 -4.1949 -4.1642 -4.1642 -0.8959 -0.8959 -0.8650 -0.8650 -0.7746 -0.7746 -0.7423 -0.7423 -0.3967 -0.3967 -0.3593 -0.3593 -0.3301 -0.3301 -0.2936 -0.2936 3.0301 3.0301 3.0406 3.0406 3.1086 3.1086 3.1142 3.1142 9.5308 9.5308 9.5312 9.5312 k = 0.4865-0.0000 0.3415 ( 6782 PWs) bands (ev): -24.0099 -24.0099 -24.0094 -24.0094 -24.0056 -24.0056 -24.0052 -24.0052 -13.8396 -13.8396 -13.8395 -13.8395 -13.7594 -13.7594 -13.7593 -13.7593 -6.4613 -6.4613 -6.4610 -6.4610 -6.3089 -6.3089 -6.3078 -6.3078 -4.7230 -4.7230 -4.7207 -4.7207 -4.5810 -4.5810 -4.5531 -4.5531 -4.3719 -4.3719 -4.3698 -4.3698 -4.1950 -4.1950 -4.1642 -4.1642 -0.8950 -0.8950 -0.8640 -0.8640 -0.7732 -0.7732 -0.7407 -0.7407 -0.3968 -0.3968 -0.3593 -0.3593 -0.3304 -0.3304 -0.2938 -0.2938 3.0325 3.0325 3.0438 3.0438 3.1057 3.1057 3.1121 3.1121 9.5425 9.5425 9.5426 9.5426 k = 0.5000-0.0000 0.3415 ( 6788 PWs) bands (ev): -24.0084 -24.0084 -24.0078 -24.0078 -24.0073 -24.0073 -24.0067 -24.0067 -13.8384 -13.8384 -13.8384 -13.8384 -13.7607 -13.7607 -13.7607 -13.7607 -6.4601 -6.4601 -6.4598 -6.4598 -6.3102 -6.3102 -6.3092 -6.3092 -4.7232 -4.7232 -4.7207 -4.7207 -4.5815 -4.5815 -4.5535 -4.5535 -4.3718 -4.3718 -4.3696 -4.3696 -4.1950 -4.1950 -4.1642 -4.1642 -0.8947 -0.8947 -0.8637 -0.8637 -0.7727 -0.7727 -0.7402 -0.7402 -0.3968 -0.3968 -0.3593 -0.3593 -0.3305 -0.3305 -0.2939 -0.2939 3.0333 3.0333 3.0449 3.0449 3.1047 3.1047 3.1113 3.1113 9.5487 9.5487 9.5495 9.5495 Writing output data file ClF.save init_run : 0.30s CPU 0.54s WALL ( 1 calls) electrons : 222.04s CPU 225.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 222.03s CPU 225.50s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.11s WALL ( 272 calls) cegterg : 205.96s CPU 208.07s WALL ( 513 calls) Called by sum_band: Called by *egterg: h_psi : 116.78s CPU 118.42s WALL ( 7710 calls) s_psi : 13.95s CPU 13.84s WALL ( 7710 calls) g_psi : 0.42s CPU 0.38s WALL ( 6925 calls) cdiaghg : 57.97s CPU 58.57s WALL ( 7197 calls) cegterg:over : 10.28s CPU 10.40s WALL ( 6925 calls) cegterg:upda : 9.18s CPU 9.28s WALL ( 6925 calls) cegterg:last : 4.84s CPU 4.80s WALL ( 1057 calls) cdiaghg:chol : 3.41s CPU 3.39s WALL ( 7197 calls) cdiaghg:inve : 2.18s CPU 2.31s WALL ( 7197 calls) cdiaghg:para : 3.70s CPU 3.66s WALL ( 14394 calls) Called by h_psi: h_psi:vloc : 97.28s CPU 98.72s WALL ( 7710 calls) h_psi:vnl : 19.00s CPU 19.24s WALL ( 7710 calls) add_vuspsi : 9.84s CPU 9.98s WALL ( 7710 calls) General routines calbec : 9.12s CPU 9.23s WALL ( 7710 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 91.15s CPU 92.67s WALL ( 819824 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.37s WALL ( 544 calls) Parallel routines fft_scatter : 31.32s CPU 32.21s WALL ( 819847 calls) PWSCF : 4m 4.83s CPU 4m28.73s WALL This run was terminated on: 17: 7:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=