Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:53: 9 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: ./Cs2HgF4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized 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 155 119 33 4167 2799 416 Max 156 120 34 4170 2827 419 Sum 5601 4317 1207 150049 101307 15021 bravais-lattice index = 14 lattice parameter (alat) = 15.0454 a.u. unit-cell volume = 1047.8444 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.045399 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.831273 celldm(5)= -0.831273 celldm(6)= 0.662547 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.662547 0.749021 0.000000 ) a(3) = ( -0.831273 -0.374510 0.410764 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.884551 1.217245 ) b(2) = ( 0.000000 1.335077 1.217245 ) b(3) = ( 0.000000 0.000000 2.434491 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) F 7.00 18.99840 F( 1.00) Cs 9.00 132.90550 Cs( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0000000 0.0000000 0.0248417), wk = 0.0033333 k( 3) = ( 0.0000000 0.0000000 0.0496835), wk = 0.0033333 k( 4) = ( 0.0000000 0.0000000 0.0745252), wk = 0.0033333 k( 5) = ( 0.0000000 0.0000000 0.0993670), wk = 0.0033333 k( 6) = ( 0.0000000 0.0000000 0.1242087), wk = 0.0033333 k( 7) = ( 0.0000000 0.0000000 0.1490505), wk = 0.0033333 k( 8) = ( 0.0000000 0.0000000 0.1738922), wk = 0.0033333 k( 9) = ( 0.0000000 0.0000000 0.1987339), wk = 0.0033333 k( 10) = ( 0.0000000 0.0000000 0.2235757), wk = 0.0033333 k( 11) = ( 0.0000000 0.0000000 0.2484174), wk = 0.0033333 k( 12) = ( 0.0000000 0.0000000 0.2732592), wk = 0.0033333 k( 13) = ( 0.0000000 0.0000000 0.2981009), wk = 0.0033333 k( 14) = ( 0.0000000 0.0000000 0.3229427), wk = 0.0033333 k( 15) = ( 0.0000000 0.0000000 0.3477844), wk = 0.0033333 k( 16) = ( 0.0000000 0.0000000 0.3726261), wk = 0.0033333 k( 17) = ( 0.0000000 0.0000000 0.3974679), wk = 0.0033333 k( 18) = ( 0.0000000 0.0000000 0.4223096), wk = 0.0033333 k( 19) = ( 0.0000000 0.0000000 0.4471514), wk = 0.0033333 k( 20) = ( 0.0000000 0.0000000 0.4719931), wk = 0.0033333 k( 21) = ( 0.0000000 0.0000000 0.4968348), wk = 0.0033333 k( 22) = ( 0.0000000 0.0000000 0.5216766), wk = 0.0033333 k( 23) = ( 0.0000000 0.0000000 0.5465183), wk = 0.0033333 k( 24) = ( 0.0000000 0.0000000 0.5713601), wk = 0.0033333 k( 25) = ( 0.0000000 0.0000000 0.5962018), wk = 0.0033333 k( 26) = ( 0.0000000 0.0000000 0.6210436), wk = 0.0033333 k( 27) = ( 0.0000000 0.0000000 0.6458853), wk = 0.0033333 k( 28) = ( 0.0000000 0.0000000 0.6707270), wk = 0.0033333 k( 29) = ( 0.0000000 0.0000000 0.6955688), wk = 0.0033333 k( 30) = ( 0.0000000 0.0000000 0.7204105), wk = 0.0033333 k( 31) = ( 0.0000000 0.0000000 0.7452523), wk = 0.0033333 k( 32) = ( 0.0000000 0.0000000 0.7700940), wk = 0.0033333 k( 33) = ( 0.0000000 0.0000000 0.7949358), wk = 0.0033333 k( 34) = ( 0.0000000 0.0000000 0.8197775), wk = 0.0033333 k( 35) = ( 0.0000000 0.0000000 0.8446193), wk = 0.0033333 k( 36) = ( 0.0000000 0.0000000 0.8694610), wk = 0.0033333 k( 37) = ( 0.0000000 0.0000000 0.8943027), wk = 0.0033333 k( 38) = ( 0.0000000 0.0000000 0.9191445), wk = 0.0033333 k( 39) = ( 0.0000000 0.0000000 0.9439862), wk = 0.0033333 k( 40) = ( 0.0000000 0.0000000 0.9688280), wk = 0.0033333 k( 41) = ( 0.0000000 0.0000000 0.9936697), wk = 0.0033333 k( 42) = ( 0.0000000 0.0000000 1.0185115), wk = 0.0033333 k( 43) = ( 0.0000000 0.0000000 1.0433532), wk = 0.0033333 k( 44) = ( 0.0000000 0.0000000 1.0681949), wk = 0.0033333 k( 45) = ( 0.0000000 0.0000000 1.0930367), wk = 0.0033333 k( 46) = ( 0.0000000 0.0000000 1.1178784), wk = 0.0033333 k( 47) = ( 0.0000000 0.0000000 1.1427202), wk = 0.0033333 k( 48) = ( 0.0000000 0.0000000 1.1675619), wk = 0.0033333 k( 49) = ( 0.0000000 0.0000000 1.1924036), wk = 0.0033333 k( 50) = ( 0.0000000 0.0000000 1.2172454), wk = 0.0033333 k( 51) = ( 0.0000000 0.0000000 1.2172454), wk = 0.0033333 k( 52) = ( -0.0101487 0.0225263 1.2172454), wk = 0.0033333 k( 53) = ( -0.0202974 0.0450526 1.2172454), wk = 0.0033333 k( 54) = ( -0.0304461 0.0675789 1.2172454), wk = 0.0033333 k( 55) = ( -0.0405947 0.0901052 1.2172454), wk = 0.0033333 k( 56) = ( -0.0507434 0.1126315 1.2172454), wk = 0.0033333 k( 57) = ( -0.0507434 0.1126315 1.2172454), wk = 0.0033333 k( 58) = ( -0.0579895 0.1287151 1.1996049), wk = 0.0033333 k( 59) = ( -0.0652356 0.1447987 1.1819644), wk = 0.0033333 k( 60) = ( -0.0724817 0.1608823 1.1643239), wk = 0.0033333 k( 61) = ( -0.0797277 0.1769658 1.1466834), wk = 0.0033333 k( 62) = ( -0.0869738 0.1930494 1.1290429), wk = 0.0033333 k( 63) = ( -0.0942199 0.2091330 1.1114024), wk = 0.0033333 k( 64) = ( -0.1014659 0.2252166 1.0937619), wk = 0.0033333 k( 65) = ( -0.1087120 0.2413002 1.0761214), wk = 0.0033333 k( 66) = ( -0.1159581 0.2573838 1.0584809), wk = 0.0033333 k( 67) = ( -0.1232042 0.2734673 1.0408404), wk = 0.0033333 k( 68) = ( -0.1304502 0.2895509 1.0231999), wk = 0.0033333 k( 69) = ( -0.1376963 0.3056345 1.0055594), wk = 0.0033333 k( 70) = ( -0.1449424 0.3217181 0.9879189), wk = 0.0033333 k( 71) = ( -0.1521885 0.3378017 0.9702784), wk = 0.0033333 k( 72) = ( -0.1594345 0.3538853 0.9526379), wk = 0.0033333 k( 73) = ( -0.1666806 0.3699689 0.9349974), wk = 0.0033333 k( 74) = ( -0.1739267 0.3860524 0.9173569), wk = 0.0033333 k( 75) = ( -0.1811728 0.4021360 0.8997164), wk = 0.0033333 k( 76) = ( -0.1884188 0.4182196 0.8820759), wk = 0.0033333 k( 77) = ( -0.1956649 0.4343032 0.8644354), wk = 0.0033333 k( 78) = ( -0.2029110 0.4503868 0.8467949), wk = 0.0033333 k( 79) = ( -0.2101571 0.4664703 0.8291544), wk = 0.0033333 k( 80) = ( -0.2174031 0.4825539 0.8115139), wk = 0.0033333 k( 81) = ( -0.2246492 0.4986375 0.7938734), wk = 0.0033333 k( 82) = ( -0.2318953 0.5147211 0.7762329), wk = 0.0033333 k( 83) = ( -0.2391414 0.5308047 0.7585924), wk = 0.0033333 k( 84) = ( -0.2463874 0.5468883 0.7409519), wk = 0.0033333 k( 85) = ( -0.2536335 0.5629718 0.7233114), wk = 0.0033333 k( 86) = ( -0.2608796 0.5790554 0.7056709), wk = 0.0033333 k( 87) = ( -0.2681256 0.5951390 0.6880304), wk = 0.0033333 k( 88) = ( -0.2753717 0.6112226 0.6703899), wk = 0.0033333 k( 89) = ( -0.2753717 0.6112226 0.6703899), wk = 0.0033333 k( 90) = ( -0.2681251 0.5951378 0.6527481), wk = 0.0033333 k( 91) = ( -0.2608785 0.5790530 0.6351062), wk = 0.0033333 k( 92) = ( -0.2536318 0.5629682 0.6174644), wk = 0.0033333 k( 93) = ( -0.2463852 0.5468834 0.5998225), wk = 0.0033333 k( 94) = ( -0.2391386 0.5307986 0.5821807), wk = 0.0033333 k( 95) = ( -0.2318920 0.5147137 0.5645389), wk = 0.0033333 k( 96) = ( -0.2246453 0.4986290 0.5468970), wk = 0.0033333 k( 97) = ( -0.2173987 0.4825442 0.5292552), wk = 0.0033333 k( 98) = ( -0.2101521 0.4664593 0.5116133), wk = 0.0033333 k( 99) = ( -0.2029055 0.4503745 0.4939715), wk = 0.0033333 k( 100) = ( -0.1956588 0.4342897 0.4763297), wk = 0.0033333 k( 101) = ( -0.1884122 0.4182049 0.4586878), wk = 0.0033333 k( 102) = ( -0.1811656 0.4021201 0.4410460), wk = 0.0033333 k( 103) = ( -0.1739190 0.3860353 0.4234042), wk = 0.0033333 k( 104) = ( -0.1666724 0.3699505 0.4057623), wk = 0.0033333 k( 105) = ( -0.1594257 0.3538657 0.3881205), wk = 0.0033333 k( 106) = ( -0.1521791 0.3377809 0.3704786), wk = 0.0033333 k( 107) = ( -0.1449325 0.3216961 0.3528368), wk = 0.0033333 k( 108) = ( -0.1376859 0.3056113 0.3351950), wk = 0.0033333 k( 109) = ( -0.1304392 0.2895265 0.3175531), wk = 0.0033333 k( 110) = ( -0.1231926 0.2734417 0.2999113), wk = 0.0033333 k( 111) = ( -0.1159460 0.2573569 0.2822694), wk = 0.0033333 k( 112) = ( -0.1086994 0.2412721 0.2646276), wk = 0.0033333 k( 113) = ( -0.1014527 0.2251873 0.2469858), wk = 0.0033333 k( 114) = ( -0.0942061 0.2091025 0.2293439), wk = 0.0033333 k( 115) = ( -0.0869595 0.1930177 0.2117021), wk = 0.0033333 k( 116) = ( -0.0797129 0.1769329 0.1940602), wk = 0.0033333 k( 117) = ( -0.0724662 0.1608480 0.1764184), wk = 0.0033333 k( 118) = ( -0.0652196 0.1447632 0.1587766), wk = 0.0033333 k( 119) = ( -0.0579730 0.1286784 0.1411347), wk = 0.0033333 k( 120) = ( -0.0507264 0.1125936 0.1234929), wk = 0.0033333 k( 121) = ( -0.0434797 0.0965088 0.1058511), wk = 0.0033333 k( 122) = ( -0.0362331 0.0804240 0.0882092), wk = 0.0033333 k( 123) = ( -0.0289865 0.0643392 0.0705674), wk = 0.0033333 k( 124) = ( -0.0217399 0.0482544 0.0529255), wk = 0.0033333 k( 125) = ( -0.0144932 0.0321696 0.0352837), wk = 0.0033333 k( 126) = ( -0.0072466 0.0160848 0.0176418), wk = 0.0033333 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 129) = ( 0.0227273 0.0102392 -0.0000000), wk = 0.0033333 k( 130) = ( 0.0454546 0.0204785 -0.0000000), wk = 0.0033333 k( 131) = ( 0.0681818 0.0307177 -0.0000000), wk = 0.0033333 k( 132) = ( 0.0909091 0.0409569 -0.0000000), wk = 0.0033333 k( 133) = ( 0.1136364 0.0511961 -0.0000000), wk = 0.0033333 k( 134) = ( 0.1363636 0.0614354 -0.0000000), wk = 0.0033333 k( 135) = ( 0.1590909 0.0716746 -0.0000000), wk = 0.0033333 k( 136) = ( 0.1818182 0.0819138 -0.0000000), wk = 0.0033333 k( 137) = ( 0.2045454 0.0921531 -0.0000000), wk = 0.0033333 k( 138) = ( 0.2272727 0.1023923 -0.0000000), wk = 0.0033333 k( 139) = ( 0.2500000 0.1126315 -0.0000000), wk = 0.0033333 k( 140) = ( 0.2727273 0.1228707 -0.0000000), wk = 0.0033333 k( 141) = ( 0.2954545 0.1331100 -0.0000000), wk = 0.0033333 k( 142) = ( 0.3181818 0.1433492 -0.0000000), wk = 0.0033333 k( 143) = ( 0.3409091 0.1535884 -0.0000000), wk = 0.0033333 k( 144) = ( 0.3636364 0.1638277 -0.0000000), wk = 0.0033333 k( 145) = ( 0.3863636 0.1740669 -0.0000000), wk = 0.0033333 k( 146) = ( 0.4090909 0.1843061 -0.0000000), wk = 0.0033333 k( 147) = ( 0.4318182 0.1945454 -0.0000000), wk = 0.0033333 k( 148) = ( 0.4545455 0.2047846 -0.0000000), wk = 0.0033333 k( 149) = ( 0.4772727 0.2150238 -0.0000000), wk = 0.0033333 k( 150) = ( 0.5000000 0.2252630 -0.0000000), wk = 0.0033333 k( 151) = ( 0.5000000 0.2252630 -0.0000000), wk = 0.0033333 k( 152) = ( 0.4927539 0.2413466 0.0176405), wk = 0.0033333 k( 153) = ( 0.4855079 0.2574302 0.0352810), wk = 0.0033333 k( 154) = ( 0.4782618 0.2735138 0.0529215), wk = 0.0033333 k( 155) = ( 0.4710157 0.2895974 0.0705620), wk = 0.0033333 k( 156) = ( 0.4637696 0.3056810 0.0882025), wk = 0.0033333 k( 157) = ( 0.4565236 0.3217645 0.1058430), wk = 0.0033333 k( 158) = ( 0.4492775 0.3378481 0.1234835), wk = 0.0033333 k( 159) = ( 0.4420314 0.3539317 0.1411240), wk = 0.0033333 k( 160) = ( 0.4347853 0.3700153 0.1587645), wk = 0.0033333 k( 161) = ( 0.4275393 0.3860989 0.1764050), wk = 0.0033333 k( 162) = ( 0.4202932 0.4021825 0.1940455), wk = 0.0033333 k( 163) = ( 0.4130471 0.4182660 0.2116860), wk = 0.0033333 k( 164) = ( 0.4058010 0.4343496 0.2293265), wk = 0.0033333 k( 165) = ( 0.3985550 0.4504332 0.2469670), wk = 0.0033333 k( 166) = ( 0.3913089 0.4665168 0.2646075), wk = 0.0033333 k( 167) = ( 0.3840628 0.4826004 0.2822480), wk = 0.0033333 k( 168) = ( 0.3768167 0.4986839 0.2998885), wk = 0.0033333 k( 169) = ( 0.3695707 0.5147675 0.3175290), wk = 0.0033333 k( 170) = ( 0.3623246 0.5308511 0.3351695), wk = 0.0033333 k( 171) = ( 0.3550785 0.5469347 0.3528100), wk = 0.0033333 k( 172) = ( 0.3478325 0.5630183 0.3704505), wk = 0.0033333 k( 173) = ( 0.3405864 0.5791019 0.3880910), wk = 0.0033333 k( 174) = ( 0.3333403 0.5951854 0.4057315), wk = 0.0033333 k( 175) = ( 0.3260942 0.6112690 0.4233720), wk = 0.0033333 k( 176) = ( 0.3188482 0.6273526 0.4410125), wk = 0.0033333 k( 177) = ( 0.3116021 0.6434362 0.4586530), wk = 0.0033333 k( 178) = ( 0.3043560 0.6595198 0.4762935), wk = 0.0033333 k( 179) = ( 0.2971099 0.6756034 0.4939340), wk = 0.0033333 k( 180) = ( 0.2898639 0.6916869 0.5115745), wk = 0.0033333 k( 181) = ( 0.2826178 0.7077705 0.5292150), wk = 0.0033333 k( 182) = ( 0.2753717 0.7238541 0.5468555), wk = 0.0033333 k( 183) = ( 0.2753717 0.7238541 0.5468555), wk = 0.0033333 k( 184) = ( 0.2524241 0.7191611 0.5520027), wk = 0.0033333 k( 185) = ( 0.2294764 0.7144681 0.5571500), wk = 0.0033333 k( 186) = ( 0.2065288 0.7097752 0.5622973), wk = 0.0033333 k( 187) = ( 0.1835811 0.7050822 0.5674445), wk = 0.0033333 k( 188) = ( 0.1606335 0.7003892 0.5725918), wk = 0.0033333 k( 189) = ( 0.1376859 0.6956962 0.5777391), wk = 0.0033333 k( 190) = ( 0.1147382 0.6910032 0.5828864), wk = 0.0033333 k( 191) = ( 0.0917906 0.6863103 0.5880336), wk = 0.0033333 k( 192) = ( 0.0688429 0.6816173 0.5931809), wk = 0.0033333 k( 193) = ( 0.0458953 0.6769243 0.5983282), wk = 0.0033333 k( 194) = ( 0.0229476 0.6722313 0.6034754), wk = 0.0033333 k( 195) = ( 0.0000000 0.6675383 0.6086227), wk = 0.0033333 k( 196) = ( 0.0000000 0.6675383 0.6086227), wk = 0.0033333 k( 197) = ( 0.0073529 0.6512176 0.6265234), wk = 0.0033333 k( 198) = ( 0.0147059 0.6348968 0.6444240), wk = 0.0033333 k( 199) = ( 0.0220588 0.6185760 0.6623247), wk = 0.0033333 k( 200) = ( 0.0294118 0.6022552 0.6802254), wk = 0.0033333 k( 201) = ( 0.0367647 0.5859344 0.6981260), wk = 0.0033333 k( 202) = ( 0.0441177 0.5696136 0.7160267), wk = 0.0033333 k( 203) = ( 0.0514706 0.5532928 0.7339274), wk = 0.0033333 k( 204) = ( 0.0588235 0.5369720 0.7518280), wk = 0.0033333 k( 205) = ( 0.0661765 0.5206512 0.7697287), wk = 0.0033333 k( 206) = ( 0.0735294 0.5043305 0.7876294), wk = 0.0033333 k( 207) = ( 0.0808824 0.4880097 0.8055300), wk = 0.0033333 k( 208) = ( 0.0882353 0.4716889 0.8234307), wk = 0.0033333 k( 209) = ( 0.0955882 0.4553681 0.8413314), wk = 0.0033333 k( 210) = ( 0.1029412 0.4390473 0.8592320), wk = 0.0033333 k( 211) = ( 0.1102941 0.4227265 0.8771327), wk = 0.0033333 k( 212) = ( 0.1176471 0.4064057 0.8950334), wk = 0.0033333 k( 213) = ( 0.1250000 0.3900849 0.9129340), wk = 0.0033333 k( 214) = ( 0.1323529 0.3737641 0.9308347), wk = 0.0033333 k( 215) = ( 0.1397059 0.3574434 0.9487354), wk = 0.0033333 k( 216) = ( 0.1470588 0.3411226 0.9666360), wk = 0.0033333 k( 217) = ( 0.1544118 0.3248018 0.9845367), wk = 0.0033333 k( 218) = ( 0.1617647 0.3084810 1.0024374), wk = 0.0033333 k( 219) = ( 0.1691177 0.2921602 1.0203381), wk = 0.0033333 k( 220) = ( 0.1764706 0.2758394 1.0382387), wk = 0.0033333 k( 221) = ( 0.1838235 0.2595186 1.0561394), wk = 0.0033333 k( 222) = ( 0.1911765 0.2431978 1.0740400), wk = 0.0033333 k( 223) = ( 0.1985294 0.2268770 1.0919407), wk = 0.0033333 k( 224) = ( 0.2058823 0.2105563 1.1098414), wk = 0.0033333 k( 225) = ( 0.2132353 0.1942355 1.1277420), wk = 0.0033333 k( 226) = ( 0.2205882 0.1779147 1.1456427), wk = 0.0033333 k( 227) = ( 0.2279412 0.1615939 1.1635434), wk = 0.0033333 k( 228) = ( 0.2352941 0.1452731 1.1814441), wk = 0.0033333 k( 229) = ( 0.2426471 0.1289523 1.1993447), wk = 0.0033333 k( 230) = ( 0.2500000 0.1126315 1.2172454), wk = 0.0033333 k( 231) = ( 0.2500000 0.1126315 1.2172454), wk = 0.0033333 k( 232) = ( 0.2708333 0.1220175 1.2069509), wk = 0.0033333 k( 233) = ( 0.2916667 0.1314034 1.1966563), wk = 0.0033333 k( 234) = ( 0.3125000 0.1407894 1.1863618), wk = 0.0033333 k( 235) = ( 0.3333333 0.1501754 1.1760672), wk = 0.0033333 k( 236) = ( 0.3541667 0.1595613 1.1657727), wk = 0.0033333 k( 237) = ( 0.3750000 0.1689473 1.1554782), wk = 0.0033333 k( 238) = ( 0.3958333 0.1783332 1.1451836), wk = 0.0033333 k( 239) = ( 0.4166667 0.1877192 1.1348891), wk = 0.0033333 k( 240) = ( 0.4375000 0.1971052 1.1245946), wk = 0.0033333 k( 241) = ( 0.4583333 0.2064911 1.1143000), wk = 0.0033333 k( 242) = ( 0.4791667 0.2158771 1.1040055), wk = 0.0033333 k( 243) = ( 0.5000000 0.2252630 1.0937110), wk = 0.0033333 k( 244) = ( 0.5000000 0.2252630 1.0937110), wk = 0.0033333 k( 245) = ( 0.5000000 0.2252630 1.0688539), wk = 0.0033333 k( 246) = ( 0.5000000 0.2252630 1.0439968), wk = 0.0033333 k( 247) = ( 0.5000000 0.2252630 1.0191397), wk = 0.0033333 k( 248) = ( 0.5000000 0.2252630 0.9942827), wk = 0.0033333 k( 249) = ( 0.5000000 0.2252630 0.9694256), wk = 0.0033333 k( 250) = ( 0.5000000 0.2252630 0.9445685), wk = 0.0033333 k( 251) = ( 0.5000000 0.2252630 0.9197115), wk = 0.0033333 k( 252) = ( 0.5000000 0.2252630 0.8948544), wk = 0.0033333 k( 253) = ( 0.5000000 0.2252630 0.8699973), wk = 0.0033333 k( 254) = ( 0.5000000 0.2252630 0.8451403), wk = 0.0033333 k( 255) = ( 0.5000000 0.2252630 0.8202832), wk = 0.0033333 k( 256) = ( 0.5000000 0.2252630 0.7954261), wk = 0.0033333 k( 257) = ( 0.5000000 0.2252630 0.7705691), wk = 0.0033333 k( 258) = ( 0.5000000 0.2252630 0.7457120), wk = 0.0033333 k( 259) = ( 0.5000000 0.2252630 0.7208550), wk = 0.0033333 k( 260) = ( 0.5000000 0.2252630 0.6959979), wk = 0.0033333 k( 261) = ( 0.5000000 0.2252630 0.6711408), wk = 0.0033333 k( 262) = ( 0.5000000 0.2252630 0.6462838), wk = 0.0033333 k( 263) = ( 0.5000000 0.2252630 0.6214267), wk = 0.0033333 k( 264) = ( 0.5000000 0.2252630 0.5965696), wk = 0.0033333 k( 265) = ( 0.5000000 0.2252630 0.5717126), wk = 0.0033333 k( 266) = ( 0.5000000 0.2252630 0.5468555), wk = 0.0033333 k( 267) = ( 0.5000000 0.2252630 0.5219984), wk = 0.0033333 k( 268) = ( 0.5000000 0.2252630 0.4971413), wk = 0.0033333 k( 269) = ( 0.5000000 0.2252630 0.4722843), wk = 0.0033333 k( 270) = ( 0.5000000 0.2252630 0.4474272), wk = 0.0033333 k( 271) = ( 0.5000000 0.2252630 0.4225701), wk = 0.0033333 k( 272) = ( 0.5000000 0.2252630 0.3977131), wk = 0.0033333 k( 273) = ( 0.5000000 0.2252630 0.3728560), wk = 0.0033333 k( 274) = ( 0.5000000 0.2252630 0.3479989), wk = 0.0033333 k( 275) = ( 0.5000000 0.2252630 0.3231419), wk = 0.0033333 k( 276) = ( 0.5000000 0.2252630 0.2982848), wk = 0.0033333 k( 277) = ( 0.5000000 0.2252630 0.2734277), wk = 0.0033333 k( 278) = ( 0.5000000 0.2252630 0.2485707), wk = 0.0033333 k( 279) = ( 0.5000000 0.2252630 0.2237136), wk = 0.0033333 k( 280) = ( 0.5000000 0.2252630 0.1988565), wk = 0.0033333 k( 281) = ( 0.5000000 0.2252630 0.1739995), wk = 0.0033333 k( 282) = ( 0.5000000 0.2252630 0.1491424), wk = 0.0033333 k( 283) = ( 0.5000000 0.2252630 0.1242853), wk = 0.0033333 k( 284) = ( 0.5000000 0.2252630 0.0994283), wk = 0.0033333 k( 285) = ( 0.5000000 0.2252630 0.0745712), wk = 0.0033333 k( 286) = ( 0.5000000 0.2252630 0.0497141), wk = 0.0033333 k( 287) = ( 0.5000000 0.2252630 0.0248571), wk = 0.0033333 k( 288) = ( 0.5000000 0.2252630 -0.0000000), wk = 0.0033333 k( 289) = ( 0.0000000 0.0000000 1.2172454), wk = 0.0033333 k( 290) = ( 0.0227273 0.0102392 1.2172454), wk = 0.0033333 k( 291) = ( 0.0454546 0.0204785 1.2172454), wk = 0.0033333 k( 292) = ( 0.0681818 0.0307177 1.2172454), wk = 0.0033333 k( 293) = ( 0.0909091 0.0409569 1.2172454), wk = 0.0033333 k( 294) = ( 0.1136364 0.0511961 1.2172454), wk = 0.0033333 k( 295) = ( 0.1363636 0.0614354 1.2172454), wk = 0.0033333 k( 296) = ( 0.1590909 0.0716746 1.2172454), wk = 0.0033333 k( 297) = ( 0.1818182 0.0819138 1.2172454), wk = 0.0033333 k( 298) = ( 0.2045454 0.0921531 1.2172454), wk = 0.0033333 k( 299) = ( 0.2272727 0.1023923 1.2172454), wk = 0.0033333 k( 300) = ( 0.2500000 0.1126315 1.2172454), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0000000 0.0000000 0.0102041), wk = 0.0033333 k( 3) = ( 0.0000000 0.0000000 0.0204082), wk = 0.0033333 k( 4) = ( 0.0000000 0.0000000 0.0306122), wk = 0.0033333 k( 5) = ( 0.0000000 0.0000000 0.0408163), wk = 0.0033333 k( 6) = ( 0.0000000 0.0000000 0.0510204), wk = 0.0033333 k( 7) = ( 0.0000000 0.0000000 0.0612245), wk = 0.0033333 k( 8) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0033333 k( 9) = ( 0.0000000 0.0000000 0.0816327), wk = 0.0033333 k( 10) = ( 0.0000000 0.0000000 0.0918367), wk = 0.0033333 k( 11) = ( 0.0000000 0.0000000 0.1020408), wk = 0.0033333 k( 12) = ( 0.0000000 0.0000000 0.1122449), wk = 0.0033333 k( 13) = ( 0.0000000 0.0000000 0.1224490), wk = 0.0033333 k( 14) = ( 0.0000000 0.0000000 0.1326531), wk = 0.0033333 k( 15) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0033333 k( 16) = ( 0.0000000 0.0000000 0.1530612), wk = 0.0033333 k( 17) = ( 0.0000000 0.0000000 0.1632653), wk = 0.0033333 k( 18) = ( 0.0000000 0.0000000 0.1734694), wk = 0.0033333 k( 19) = ( 0.0000000 0.0000000 0.1836735), wk = 0.0033333 k( 20) = ( 0.0000000 0.0000000 0.1938776), wk = 0.0033333 k( 21) = ( 0.0000000 0.0000000 0.2040816), wk = 0.0033333 k( 22) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0033333 k( 23) = ( 0.0000000 0.0000000 0.2244898), wk = 0.0033333 k( 24) = ( 0.0000000 0.0000000 0.2346939), wk = 0.0033333 k( 25) = ( 0.0000000 0.0000000 0.2448980), wk = 0.0033333 k( 26) = ( 0.0000000 0.0000000 0.2551020), wk = 0.0033333 k( 27) = ( 0.0000000 0.0000000 0.2653061), wk = 0.0033333 k( 28) = ( 0.0000000 0.0000000 0.2755102), wk = 0.0033333 k( 29) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0033333 k( 30) = ( 0.0000000 0.0000000 0.2959184), wk = 0.0033333 k( 31) = ( 0.0000000 0.0000000 0.3061225), wk = 0.0033333 k( 32) = ( 0.0000000 0.0000000 0.3163265), wk = 0.0033333 k( 33) = ( 0.0000000 0.0000000 0.3265306), wk = 0.0033333 k( 34) = ( 0.0000000 0.0000000 0.3367347), wk = 0.0033333 k( 35) = ( 0.0000000 0.0000000 0.3469388), wk = 0.0033333 k( 36) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0033333 k( 37) = ( 0.0000000 0.0000000 0.3673469), wk = 0.0033333 k( 38) = ( 0.0000000 0.0000000 0.3775510), wk = 0.0033333 k( 39) = ( 0.0000000 0.0000000 0.3877551), wk = 0.0033333 k( 40) = ( 0.0000000 0.0000000 0.3979592), wk = 0.0033333 k( 41) = ( 0.0000000 0.0000000 0.4081633), wk = 0.0033333 k( 42) = ( 0.0000000 0.0000000 0.4183674), wk = 0.0033333 k( 43) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0033333 k( 44) = ( 0.0000000 0.0000000 0.4387755), wk = 0.0033333 k( 45) = ( 0.0000000 0.0000000 0.4489796), wk = 0.0033333 k( 46) = ( 0.0000000 0.0000000 0.4591837), wk = 0.0033333 k( 47) = ( 0.0000000 0.0000000 0.4693878), wk = 0.0033333 k( 48) = ( 0.0000000 0.0000000 0.4795918), wk = 0.0033333 k( 49) = ( 0.0000000 0.0000000 0.4897959), wk = 0.0033333 k( 50) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 52) = ( -0.0101487 0.0101487 0.5000000), wk = 0.0033333 k( 53) = ( -0.0202974 0.0202974 0.5000000), wk = 0.0033333 k( 54) = ( -0.0304461 0.0304461 0.5000000), wk = 0.0033333 k( 55) = ( -0.0405947 0.0405947 0.5000000), wk = 0.0033333 k( 56) = ( -0.0507434 0.0507434 0.5000000), wk = 0.0033333 k( 57) = ( -0.0507434 0.0507434 0.5000000), wk = 0.0033333 k( 58) = ( -0.0579895 0.0579895 0.4927539), wk = 0.0033333 k( 59) = ( -0.0652356 0.0652356 0.4855079), wk = 0.0033333 k( 60) = ( -0.0724817 0.0724817 0.4782618), wk = 0.0033333 k( 61) = ( -0.0797277 0.0797277 0.4710157), wk = 0.0033333 k( 62) = ( -0.0869738 0.0869738 0.4637696), wk = 0.0033333 k( 63) = ( -0.0942199 0.0942199 0.4565236), wk = 0.0033333 k( 64) = ( -0.1014659 0.1014660 0.4492775), wk = 0.0033333 k( 65) = ( -0.1087120 0.1087120 0.4420314), wk = 0.0033333 k( 66) = ( -0.1159581 0.1159581 0.4347853), wk = 0.0033333 k( 67) = ( -0.1232042 0.1232042 0.4275393), wk = 0.0033333 k( 68) = ( -0.1304502 0.1304502 0.4202932), wk = 0.0033333 k( 69) = ( -0.1376963 0.1376963 0.4130471), wk = 0.0033333 k( 70) = ( -0.1449424 0.1449424 0.4058010), wk = 0.0033333 k( 71) = ( -0.1521885 0.1521885 0.3985550), wk = 0.0033333 k( 72) = ( -0.1594345 0.1594345 0.3913089), wk = 0.0033333 k( 73) = ( -0.1666806 0.1666806 0.3840628), wk = 0.0033333 k( 74) = ( -0.1739267 0.1739267 0.3768168), wk = 0.0033333 k( 75) = ( -0.1811728 0.1811728 0.3695707), wk = 0.0033333 k( 76) = ( -0.1884188 0.1884188 0.3623246), wk = 0.0033333 k( 77) = ( -0.1956649 0.1956649 0.3550785), wk = 0.0033333 k( 78) = ( -0.2029110 0.2029110 0.3478325), wk = 0.0033333 k( 79) = ( -0.2101571 0.2101571 0.3405864), wk = 0.0033333 k( 80) = ( -0.2174031 0.2174031 0.3333403), wk = 0.0033333 k( 81) = ( -0.2246492 0.2246492 0.3260942), wk = 0.0033333 k( 82) = ( -0.2318953 0.2318953 0.3188482), wk = 0.0033333 k( 83) = ( -0.2391414 0.2391414 0.3116021), wk = 0.0033333 k( 84) = ( -0.2463874 0.2463874 0.3043560), wk = 0.0033333 k( 85) = ( -0.2536335 0.2536335 0.2971099), wk = 0.0033333 k( 86) = ( -0.2608796 0.2608796 0.2898639), wk = 0.0033333 k( 87) = ( -0.2681256 0.2681257 0.2826178), wk = 0.0033333 k( 88) = ( -0.2753717 0.2753717 0.2753717), wk = 0.0033333 k( 89) = ( -0.2753717 0.2753717 0.2753717), wk = 0.0033333 k( 90) = ( -0.2681251 0.2681251 0.2681251), wk = 0.0033333 k( 91) = ( -0.2608785 0.2608785 0.2608785), wk = 0.0033333 k( 92) = ( -0.2536318 0.2536318 0.2536319), wk = 0.0033333 k( 93) = ( -0.2463852 0.2463852 0.2463852), wk = 0.0033333 k( 94) = ( -0.2391386 0.2391386 0.2391386), wk = 0.0033333 k( 95) = ( -0.2318920 0.2318920 0.2318920), wk = 0.0033333 k( 96) = ( -0.2246453 0.2246453 0.2246454), wk = 0.0033333 k( 97) = ( -0.2173987 0.2173987 0.2173987), wk = 0.0033333 k( 98) = ( -0.2101521 0.2101521 0.2101521), wk = 0.0033333 k( 99) = ( -0.2029055 0.2029055 0.2029055), wk = 0.0033333 k( 100) = ( -0.1956588 0.1956589 0.1956588), wk = 0.0033333 k( 101) = ( -0.1884122 0.1884122 0.1884122), wk = 0.0033333 k( 102) = ( -0.1811656 0.1811656 0.1811656), wk = 0.0033333 k( 103) = ( -0.1739190 0.1739190 0.1739190), wk = 0.0033333 k( 104) = ( -0.1666724 0.1666724 0.1666724), wk = 0.0033333 k( 105) = ( -0.1594257 0.1594257 0.1594257), wk = 0.0033333 k( 106) = ( -0.1521791 0.1521791 0.1521791), wk = 0.0033333 k( 107) = ( -0.1449325 0.1449325 0.1449325), wk = 0.0033333 k( 108) = ( -0.1376859 0.1376859 0.1376859), wk = 0.0033333 k( 109) = ( -0.1304392 0.1304392 0.1304392), wk = 0.0033333 k( 110) = ( -0.1231926 0.1231926 0.1231926), wk = 0.0033333 k( 111) = ( -0.1159460 0.1159460 0.1159460), wk = 0.0033333 k( 112) = ( -0.1086994 0.1086994 0.1086994), wk = 0.0033333 k( 113) = ( -0.1014527 0.1014527 0.1014527), wk = 0.0033333 k( 114) = ( -0.0942061 0.0942061 0.0942061), wk = 0.0033333 k( 115) = ( -0.0869595 0.0869595 0.0869595), wk = 0.0033333 k( 116) = ( -0.0797129 0.0797129 0.0797129), wk = 0.0033333 k( 117) = ( -0.0724662 0.0724662 0.0724662), wk = 0.0033333 k( 118) = ( -0.0652196 0.0652196 0.0652196), wk = 0.0033333 k( 119) = ( -0.0579730 0.0579730 0.0579730), wk = 0.0033333 k( 120) = ( -0.0507264 0.0507264 0.0507264), wk = 0.0033333 k( 121) = ( -0.0434797 0.0434798 0.0434797), wk = 0.0033333 k( 122) = ( -0.0362331 0.0362331 0.0362331), wk = 0.0033333 k( 123) = ( -0.0289865 0.0289865 0.0289865), wk = 0.0033333 k( 124) = ( -0.0217399 0.0217399 0.0217399), wk = 0.0033333 k( 125) = ( -0.0144932 0.0144933 0.0144932), wk = 0.0033333 k( 126) = ( -0.0072466 0.0072466 0.0072466), wk = 0.0033333 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 129) = ( 0.0227273 0.0227273 -0.0227273), wk = 0.0033333 k( 130) = ( 0.0454546 0.0454546 -0.0454546), wk = 0.0033333 k( 131) = ( 0.0681818 0.0681818 -0.0681818), wk = 0.0033333 k( 132) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0033333 k( 133) = ( 0.1136364 0.1136364 -0.1136364), wk = 0.0033333 k( 134) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0033333 k( 135) = ( 0.1590909 0.1590909 -0.1590909), wk = 0.0033333 k( 136) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0033333 k( 137) = ( 0.2045454 0.2045454 -0.2045455), wk = 0.0033333 k( 138) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0033333 k( 139) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0033333 k( 140) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0033333 k( 141) = ( 0.2954545 0.2954545 -0.2954546), wk = 0.0033333 k( 142) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0033333 k( 143) = ( 0.3409091 0.3409091 -0.3409091), wk = 0.0033333 k( 144) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0033333 k( 145) = ( 0.3863636 0.3863636 -0.3863636), wk = 0.0033333 k( 146) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0033333 k( 147) = ( 0.4318182 0.4318182 -0.4318182), wk = 0.0033333 k( 148) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0033333 k( 149) = ( 0.4772727 0.4772727 -0.4772727), wk = 0.0033333 k( 150) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033333 k( 151) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033333 k( 152) = ( 0.4927539 0.5072461 -0.4927539), wk = 0.0033333 k( 153) = ( 0.4855079 0.5144922 -0.4855079), wk = 0.0033333 k( 154) = ( 0.4782618 0.5217382 -0.4782618), wk = 0.0033333 k( 155) = ( 0.4710157 0.5289843 -0.4710157), wk = 0.0033333 k( 156) = ( 0.4637696 0.5362304 -0.4637696), wk = 0.0033333 k( 157) = ( 0.4565236 0.5434764 -0.4565236), wk = 0.0033333 k( 158) = ( 0.4492775 0.5507225 -0.4492775), wk = 0.0033333 k( 159) = ( 0.4420314 0.5579686 -0.4420314), wk = 0.0033333 k( 160) = ( 0.4347853 0.5652147 -0.4347853), wk = 0.0033333 k( 161) = ( 0.4275393 0.5724607 -0.4275393), wk = 0.0033333 k( 162) = ( 0.4202932 0.5797068 -0.4202932), wk = 0.0033333 k( 163) = ( 0.4130471 0.5869529 -0.4130471), wk = 0.0033333 k( 164) = ( 0.4058010 0.5941990 -0.4058010), wk = 0.0033333 k( 165) = ( 0.3985550 0.6014450 -0.3985550), wk = 0.0033333 k( 166) = ( 0.3913089 0.6086911 -0.3913089), wk = 0.0033333 k( 167) = ( 0.3840628 0.6159372 -0.3840628), wk = 0.0033333 k( 168) = ( 0.3768167 0.6231832 -0.3768167), wk = 0.0033333 k( 169) = ( 0.3695707 0.6304293 -0.3695707), wk = 0.0033333 k( 170) = ( 0.3623246 0.6376754 -0.3623246), wk = 0.0033333 k( 171) = ( 0.3550785 0.6449215 -0.3550785), wk = 0.0033333 k( 172) = ( 0.3478325 0.6521675 -0.3478325), wk = 0.0033333 k( 173) = ( 0.3405864 0.6594136 -0.3405864), wk = 0.0033333 k( 174) = ( 0.3333403 0.6666597 -0.3333403), wk = 0.0033333 k( 175) = ( 0.3260942 0.6739058 -0.3260942), wk = 0.0033333 k( 176) = ( 0.3188482 0.6811518 -0.3188482), wk = 0.0033333 k( 177) = ( 0.3116021 0.6883979 -0.3116021), wk = 0.0033333 k( 178) = ( 0.3043560 0.6956440 -0.3043560), wk = 0.0033333 k( 179) = ( 0.2971099 0.7028901 -0.2971099), wk = 0.0033333 k( 180) = ( 0.2898639 0.7101361 -0.2898639), wk = 0.0033333 k( 181) = ( 0.2826178 0.7173822 -0.2826178), wk = 0.0033333 k( 182) = ( 0.2753717 0.7246283 -0.2753717), wk = 0.0033333 k( 183) = ( 0.2753717 0.7246283 -0.2753717), wk = 0.0033333 k( 184) = ( 0.2524241 0.7059093 -0.2524241), wk = 0.0033333 k( 185) = ( 0.2294764 0.6871902 -0.2294764), wk = 0.0033333 k( 186) = ( 0.2065288 0.6684712 -0.2065288), wk = 0.0033333 k( 187) = ( 0.1835811 0.6497522 -0.1835811), wk = 0.0033333 k( 188) = ( 0.1606335 0.6310332 -0.1606335), wk = 0.0033333 k( 189) = ( 0.1376859 0.6123141 -0.1376859), wk = 0.0033333 k( 190) = ( 0.1147382 0.5935951 -0.1147382), wk = 0.0033333 k( 191) = ( 0.0917906 0.5748761 -0.0917906), wk = 0.0033333 k( 192) = ( 0.0688429 0.5561571 -0.0688429), wk = 0.0033333 k( 193) = ( 0.0458953 0.5374381 -0.0458953), wk = 0.0033333 k( 194) = ( 0.0229476 0.5187190 -0.0229476), wk = 0.0033333 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033333 k( 196) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033333 k( 197) = ( 0.0073529 0.4926471 0.0073529), wk = 0.0033333 k( 198) = ( 0.0147059 0.4852941 0.0147059), wk = 0.0033333 k( 199) = ( 0.0220588 0.4779412 0.0220588), wk = 0.0033333 k( 200) = ( 0.0294118 0.4705882 0.0294118), wk = 0.0033333 k( 201) = ( 0.0367647 0.4632353 0.0367647), wk = 0.0033333 k( 202) = ( 0.0441177 0.4558823 0.0441177), wk = 0.0033333 k( 203) = ( 0.0514706 0.4485294 0.0514706), wk = 0.0033333 k( 204) = ( 0.0588235 0.4411765 0.0588235), wk = 0.0033333 k( 205) = ( 0.0661765 0.4338235 0.0661765), wk = 0.0033333 k( 206) = ( 0.0735294 0.4264706 0.0735294), wk = 0.0033333 k( 207) = ( 0.0808824 0.4191177 0.0808824), wk = 0.0033333 k( 208) = ( 0.0882353 0.4117647 0.0882353), wk = 0.0033333 k( 209) = ( 0.0955882 0.4044118 0.0955882), wk = 0.0033333 k( 210) = ( 0.1029412 0.3970588 0.1029412), wk = 0.0033333 k( 211) = ( 0.1102941 0.3897059 0.1102941), wk = 0.0033333 k( 212) = ( 0.1176471 0.3823529 0.1176471), wk = 0.0033333 k( 213) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0033333 k( 214) = ( 0.1323529 0.3676471 0.1323529), wk = 0.0033333 k( 215) = ( 0.1397059 0.3602941 0.1397059), wk = 0.0033333 k( 216) = ( 0.1470588 0.3529412 0.1470588), wk = 0.0033333 k( 217) = ( 0.1544118 0.3455882 0.1544118), wk = 0.0033333 k( 218) = ( 0.1617647 0.3382353 0.1617647), wk = 0.0033333 k( 219) = ( 0.1691177 0.3308824 0.1691177), wk = 0.0033333 k( 220) = ( 0.1764706 0.3235294 0.1764706), wk = 0.0033333 k( 221) = ( 0.1838235 0.3161765 0.1838235), wk = 0.0033333 k( 222) = ( 0.1911765 0.3088235 0.1911765), wk = 0.0033333 k( 223) = ( 0.1985294 0.3014706 0.1985294), wk = 0.0033333 k( 224) = ( 0.2058823 0.2941177 0.2058823), wk = 0.0033333 k( 225) = ( 0.2132353 0.2867647 0.2132353), wk = 0.0033333 k( 226) = ( 0.2205882 0.2794118 0.2205882), wk = 0.0033333 k( 227) = ( 0.2279412 0.2720588 0.2279412), wk = 0.0033333 k( 228) = ( 0.2352941 0.2647059 0.2352941), wk = 0.0033333 k( 229) = ( 0.2426471 0.2573529 0.2426471), wk = 0.0033333 k( 230) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033333 k( 231) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033333 k( 232) = ( 0.2708333 0.2708333 0.2249380), wk = 0.0033333 k( 233) = ( 0.2916667 0.2916667 0.1998761), wk = 0.0033333 k( 234) = ( 0.3125000 0.3125000 0.1748141), wk = 0.0033333 k( 235) = ( 0.3333333 0.3333333 0.1497522), wk = 0.0033333 k( 236) = ( 0.3541667 0.3541667 0.1246902), wk = 0.0033333 k( 237) = ( 0.3750000 0.3750000 0.0996283), wk = 0.0033333 k( 238) = ( 0.3958333 0.3958333 0.0745663), wk = 0.0033333 k( 239) = ( 0.4166667 0.4166667 0.0495044), wk = 0.0033333 k( 240) = ( 0.4375000 0.4375000 0.0244424), wk = 0.0033333 k( 241) = ( 0.4583333 0.4583333 -0.0006195), wk = 0.0033333 k( 242) = ( 0.4791667 0.4791667 -0.0256815), wk = 0.0033333 k( 243) = ( 0.5000000 0.5000000 -0.0507434), wk = 0.0033333 k( 244) = ( 0.5000000 0.5000000 -0.0507434), wk = 0.0033333 k( 245) = ( 0.5000000 0.5000000 -0.0609538), wk = 0.0033333 k( 246) = ( 0.5000000 0.5000000 -0.0711642), wk = 0.0033333 k( 247) = ( 0.5000000 0.5000000 -0.0813746), wk = 0.0033333 k( 248) = ( 0.5000000 0.5000000 -0.0915849), wk = 0.0033333 k( 249) = ( 0.5000000 0.5000000 -0.1017953), wk = 0.0033333 k( 250) = ( 0.5000000 0.5000000 -0.1120057), wk = 0.0033333 k( 251) = ( 0.5000000 0.5000000 -0.1222161), wk = 0.0033333 k( 252) = ( 0.5000000 0.5000000 -0.1324264), wk = 0.0033333 k( 253) = ( 0.5000000 0.5000000 -0.1426368), wk = 0.0033333 k( 254) = ( 0.5000000 0.5000000 -0.1528472), wk = 0.0033333 k( 255) = ( 0.5000000 0.5000000 -0.1630576), wk = 0.0033333 k( 256) = ( 0.5000000 0.5000000 -0.1732680), wk = 0.0033333 k( 257) = ( 0.5000000 0.5000000 -0.1834783), wk = 0.0033333 k( 258) = ( 0.5000000 0.5000000 -0.1936887), wk = 0.0033333 k( 259) = ( 0.5000000 0.5000000 -0.2038991), wk = 0.0033333 k( 260) = ( 0.5000000 0.5000000 -0.2141095), wk = 0.0033333 k( 261) = ( 0.5000000 0.5000000 -0.2243198), wk = 0.0033333 k( 262) = ( 0.5000000 0.5000000 -0.2345302), wk = 0.0033333 k( 263) = ( 0.5000000 0.5000000 -0.2447406), wk = 0.0033333 k( 264) = ( 0.5000000 0.5000000 -0.2549510), wk = 0.0033333 k( 265) = ( 0.5000000 0.5000000 -0.2651613), wk = 0.0033333 k( 266) = ( 0.5000000 0.5000000 -0.2753717), wk = 0.0033333 k( 267) = ( 0.5000000 0.5000000 -0.2855821), wk = 0.0033333 k( 268) = ( 0.5000000 0.5000000 -0.2957925), wk = 0.0033333 k( 269) = ( 0.5000000 0.5000000 -0.3060028), wk = 0.0033333 k( 270) = ( 0.5000000 0.5000000 -0.3162132), wk = 0.0033333 k( 271) = ( 0.5000000 0.5000000 -0.3264236), wk = 0.0033333 k( 272) = ( 0.5000000 0.5000000 -0.3366340), wk = 0.0033333 k( 273) = ( 0.5000000 0.5000000 -0.3468444), wk = 0.0033333 k( 274) = ( 0.5000000 0.5000000 -0.3570547), wk = 0.0033333 k( 275) = ( 0.5000000 0.5000000 -0.3672651), wk = 0.0033333 k( 276) = ( 0.5000000 0.5000000 -0.3774755), wk = 0.0033333 k( 277) = ( 0.5000000 0.5000000 -0.3876859), wk = 0.0033333 k( 278) = ( 0.5000000 0.5000000 -0.3978962), wk = 0.0033333 k( 279) = ( 0.5000000 0.5000000 -0.4081066), wk = 0.0033333 k( 280) = ( 0.5000000 0.5000000 -0.4183170), wk = 0.0033333 k( 281) = ( 0.5000000 0.5000000 -0.4285274), wk = 0.0033333 k( 282) = ( 0.5000000 0.5000000 -0.4387377), wk = 0.0033333 k( 283) = ( 0.5000000 0.5000000 -0.4489481), wk = 0.0033333 k( 284) = ( 0.5000000 0.5000000 -0.4591585), wk = 0.0033333 k( 285) = ( 0.5000000 0.5000000 -0.4693689), wk = 0.0033333 k( 286) = ( 0.5000000 0.5000000 -0.4795793), wk = 0.0033333 k( 287) = ( 0.5000000 0.5000000 -0.4897896), wk = 0.0033333 k( 288) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033333 k( 289) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 290) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0033333 k( 291) = ( 0.0454546 0.0454546 0.4545455), wk = 0.0033333 k( 292) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0033333 k( 293) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0033333 k( 294) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0033333 k( 295) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0033333 k( 296) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0033333 k( 297) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0033333 k( 298) = ( 0.2045454 0.2045454 0.2954545), wk = 0.0033333 k( 299) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0033333 k( 300) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033333 Dense grid: 150049 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 101307 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.77 Mb ( 718, 70) NL pseudopotentials 1.17 Mb ( 359, 214) Each V/rho on FFT grid 0.46 Mb ( 30000) Each G-vector array 0.03 Mb ( 4170) G-vector shells 0.01 Mb ( 1919) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.07 Mb ( 718, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.46 Mb ( 214, 2, 70) The potential is recalculated from file : ./Cs2HgF4.save/charge-density.dat Starting wfc are 70 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.5 secs Computing kpt #: 2 total cpu time spent up to now is 10.9 secs Computing kpt #: 3 total cpu time spent up to now is 14.3 secs Computing kpt #: 4 total cpu time spent up to now is 17.8 secs Computing kpt #: 5 total cpu time spent up to now is 21.4 secs Computing kpt #: 6 total cpu time spent up to now is 25.0 secs Computing kpt #: 7 total cpu time spent up to now is 28.6 secs Computing kpt #: 8 total cpu time spent up to now is 32.2 secs Computing kpt #: 9 total cpu time spent up to now is 35.9 secs Computing kpt #: 10 total cpu time spent up to now is 39.4 secs Computing kpt #: 11 total cpu time spent up to now is 43.1 secs Computing kpt #: 12 total cpu time spent up to now is 46.7 secs Computing kpt #: 13 total cpu time spent up to now is 50.4 secs Computing kpt #: 14 total cpu time spent up to now is 54.5 secs Computing kpt #: 15 total cpu time spent up to now is 58.2 secs Computing kpt #: 16 total cpu time spent up to now is 62.3 secs Computing kpt #: 17 total cpu time spent up to now is 66.0 secs Computing kpt #: 18 total cpu time spent up to now is 70.1 secs Computing kpt #: 19 total cpu time spent up to now is 73.8 secs Computing kpt #: 20 total cpu time spent up to now is 77.5 secs Computing kpt #: 21 total cpu time spent up to now is 81.6 secs Computing kpt #: 22 total cpu time spent up to now is 85.3 secs Computing kpt #: 23 total cpu time spent up to now is 89.1 secs Computing kpt #: 24 total cpu time spent up to now is 93.3 secs Computing kpt #: 25 total cpu time spent up to now is 97.7 secs Computing kpt #: 26 total cpu time spent up to now is 102.0 secs Computing kpt #: 27 total cpu time spent up to now is 106.9 secs Computing kpt #: 28 total cpu time spent up to now is 112.0 secs Computing kpt #: 29 total cpu time spent up to now is 116.5 secs Computing kpt #: 30 total cpu time spent up to now is 121.0 secs Computing kpt #: 31 total cpu time spent up to now is 126.0 secs Computing kpt #: 32 total cpu time spent up to now is 130.9 secs Computing kpt #: 33 total cpu time spent up to now is 135.9 secs Computing kpt #: 34 total cpu time spent up to now is 140.2 secs Computing kpt #: 35 total cpu time spent up to now is 144.3 secs Computing kpt #: 36 total cpu time spent up to now is 148.4 secs Computing kpt #: 37 total cpu time spent up to now is 151.9 secs Computing kpt #: 38 total cpu time spent up to now is 155.3 secs Computing kpt #: 39 total cpu time spent up to now is 158.7 secs Computing kpt #: 40 total cpu time spent up to now is 162.1 secs Computing kpt #: 41 total cpu time spent up to now is 165.4 secs Computing kpt #: 42 total cpu time spent up to now is 168.7 secs Computing kpt #: 43 total cpu time spent up to now is 172.0 secs Computing kpt #: 44 total cpu time spent up to now is 175.2 secs Computing kpt #: 45 total cpu time spent up to now is 178.4 secs Computing kpt #: 46 total cpu time spent up to now is 181.3 secs Computing kpt #: 47 total cpu time spent up to now is 184.1 secs Computing kpt #: 48 total cpu time spent up to now is 186.9 secs Computing kpt #: 49 total cpu time spent up to now is 189.7 secs Computing kpt #: 50 total cpu time spent up to now is 192.4 secs Computing kpt #: 51 total cpu time spent up to now is 195.2 secs Computing kpt #: 52 total cpu time spent up to now is 197.9 secs Computing kpt #: 53 total cpu time spent up to now is 200.7 secs Computing kpt #: 54 total cpu time spent up to now is 203.5 secs Computing kpt #: 55 total cpu time spent up to now is 206.3 secs Computing kpt #: 56 total cpu time spent up to now is 209.6 secs Computing kpt #: 57 total cpu time spent up to now is 212.8 secs Computing kpt #: 58 total cpu time spent up to now is 216.1 secs Computing kpt #: 59 total cpu time spent up to now is 219.4 secs Computing kpt #: 60 total cpu time spent up to now is 223.4 secs Computing kpt #: 61 total cpu time spent up to now is 226.9 secs Computing kpt #: 62 total cpu time spent up to now is 230.9 secs Computing kpt #: 63 total cpu time spent up to now is 234.4 secs Computing kpt #: 64 total cpu time spent up to now is 237.8 secs Computing kpt #: 65 total cpu time spent up to now is 241.3 secs Computing kpt #: 66 total cpu time spent up to now is 244.6 secs Computing kpt #: 67 total cpu time spent up to now is 248.0 secs Computing kpt #: 68 total cpu time spent up to now is 251.3 secs Computing kpt #: 69 total cpu time spent up to now is 254.6 secs Computing kpt #: 70 total cpu time spent up to now is 258.0 secs Computing kpt #: 71 total cpu time spent up to now is 261.6 secs Computing kpt #: 72 total cpu time spent up to now is 265.0 secs Computing kpt #: 73 total cpu time spent up to now is 268.3 secs Computing kpt #: 74 total cpu time spent up to now is 271.7 secs Computing kpt #: 75 total cpu time spent up to now is 275.1 secs Computing kpt #: 76 total cpu time spent up to now is 278.5 secs Computing kpt #: 77 total cpu time spent up to now is 281.9 secs Computing kpt #: 78 total cpu time spent up to now is 285.3 secs Computing kpt #: 79 total cpu time spent up to now is 288.7 secs Computing kpt #: 80 total cpu time spent up to now is 292.2 secs Computing kpt #: 81 total cpu time spent up to now is 295.7 secs Computing kpt #: 82 total cpu time spent up to now is 299.2 secs Computing kpt #: 83 total cpu time spent up to now is 302.7 secs Computing kpt #: 84 total cpu time spent up to now is 306.4 secs Computing kpt #: 85 total cpu time spent up to now is 311.2 secs Computing kpt #: 86 total cpu time spent up to now is 315.3 secs Computing kpt #: 87 total cpu time spent up to now is 318.8 secs Computing kpt #: 88 total cpu time spent up to now is 322.4 secs Computing kpt #: 89 total cpu time spent up to now is 325.9 secs Computing kpt #: 90 total cpu time spent up to now is 329.3 secs Computing kpt #: 91 total cpu time spent up to now is 332.8 secs Computing kpt #: 92 total cpu time spent up to now is 336.9 secs Computing kpt #: 93 total cpu time spent up to now is 341.0 secs Computing kpt #: 94 total cpu time spent up to now is 345.2 secs Computing kpt #: 95 total cpu time spent up to now is 350.6 secs Computing kpt #: 96 total cpu time spent up to now is 354.8 secs Computing kpt #: 97 total cpu time spent up to now is 359.0 secs Computing kpt #: 98 total cpu time spent up to now is 363.5 secs Computing kpt #: 99 total cpu time spent up to now is 367.8 secs Computing kpt #: 100 total cpu time spent up to now is 372.2 secs Computing kpt #: 101 total cpu time spent up to now is 377.2 secs Computing kpt #: 102 total cpu time spent up to now is 380.9 secs Computing kpt #: 103 total cpu time spent up to now is 384.6 secs Computing kpt #: 104 total cpu time spent up to now is 388.3 secs Computing kpt #: 105 total cpu time spent up to now is 392.0 secs Computing kpt #: 106 total cpu time spent up to now is 395.8 secs Computing kpt #: 107 total cpu time spent up to now is 399.7 secs Computing kpt #: 108 total cpu time spent up to now is 405.2 secs Computing kpt #: 109 total cpu time spent up to now is 409.0 secs Computing kpt #: 110 total cpu time spent up to now is 412.7 secs Computing kpt #: 111 total cpu time spent up to now is 416.4 secs Computing kpt #: 112 total cpu time spent up to now is 420.1 secs Computing kpt #: 113 total cpu time spent up to now is 423.7 secs Computing kpt #: 114 total cpu time spent up to now is 427.3 secs Computing kpt #: 115 total cpu time spent up to now is 430.8 secs Computing kpt #: 116 total cpu time spent up to now is 434.3 secs Computing kpt #: 117 total cpu time spent up to now is 437.9 secs Computing kpt #: 118 total cpu time spent up to now is 441.4 secs Computing kpt #: 119 total cpu time spent up to now is 445.0 secs Computing kpt #: 120 total cpu time spent up to now is 448.6 secs Computing kpt #: 121 total cpu time spent up to now is 452.1 secs Computing kpt #: 122 total cpu time spent up to now is 455.6 secs Computing kpt #: 123 total cpu time spent up to now is 459.2 secs Computing kpt #: 124 total cpu time spent up to now is 462.8 secs Computing kpt #: 125 total cpu time spent up to now is 466.2 secs Computing kpt #: 126 total cpu time spent up to now is 469.7 secs Computing kpt #: 127 total cpu time spent up to now is 473.2 secs Computing kpt #: 128 total cpu time spent up to now is 476.6 secs Computing kpt #: 129 total cpu time spent up to now is 480.2 secs Computing kpt #: 130 total cpu time spent up to now is 483.7 secs Computing kpt #: 131 total cpu time spent up to now is 487.8 secs Computing kpt #: 132 total cpu time spent up to now is 491.8 secs Computing kpt #: 133 total cpu time spent up to now is 495.8 secs Computing kpt #: 134 total cpu time spent up to now is 499.9 secs Computing kpt #: 135 total cpu time spent up to now is 503.9 secs Computing kpt #: 136 total cpu time spent up to now is 507.5 secs Computing kpt #: 137 total cpu time spent up to now is 511.2 secs Computing kpt #: 138 total cpu time spent up to now is 515.2 secs Computing kpt #: 139 total cpu time spent up to now is 518.7 secs Computing kpt #: 140 total cpu time spent up to now is 522.5 secs Computing kpt #: 141 total cpu time spent up to now is 525.9 secs Computing kpt #: 142 total cpu time spent up to now is 529.2 secs Computing kpt #: 143 total cpu time spent up to now is 532.6 secs Computing kpt #: 144 total cpu time spent up to now is 536.0 secs Computing kpt #: 145 total cpu time spent up to now is 539.4 secs Computing kpt #: 146 total cpu time spent up to now is 543.0 secs Computing kpt #: 147 total cpu time spent up to now is 546.3 secs Computing kpt #: 148 total cpu time spent up to now is 549.7 secs Computing kpt #: 149 total cpu time spent up to now is 553.0 secs Computing kpt #: 150 total cpu time spent up to now is 556.2 secs Computing kpt #: 151 total cpu time spent up to now is 559.7 secs Computing kpt #: 152 total cpu time spent up to now is 563.1 secs Computing kpt #: 153 total cpu time spent up to now is 566.4 secs Computing kpt #: 154 total cpu time spent up to now is 569.9 secs Computing kpt #: 155 total cpu time spent up to now is 573.4 secs Computing kpt #: 156 total cpu time spent up to now is 577.0 secs Computing kpt #: 157 total cpu time spent up to now is 580.5 secs Computing kpt #: 158 total cpu time spent up to now is 584.2 secs Computing kpt #: 159 total cpu time spent up to now is 587.8 secs Computing kpt #: 160 total cpu time spent up to now is 591.5 secs Computing kpt #: 161 total cpu time spent up to now is 595.2 secs Computing kpt #: 162 total cpu time spent up to now is 598.9 secs Computing kpt #: 163 total cpu time spent up to now is 603.0 secs Computing kpt #: 164 total cpu time spent up to now is 607.2 secs Computing kpt #: 165 total cpu time spent up to now is 611.5 secs Computing kpt #: 166 total cpu time spent up to now is 615.9 secs Computing kpt #: 167 total cpu time spent up to now is 619.5 secs Computing kpt #: 168 total cpu time spent up to now is 623.7 secs Computing kpt #: 169 total cpu time spent up to now is 627.4 secs Computing kpt #: 170 total cpu time spent up to now is 631.1 secs Computing kpt #: 171 total cpu time spent up to now is 634.8 secs Computing kpt #: 172 total cpu time spent up to now is 638.3 secs Computing kpt #: 173 total cpu time spent up to now is 641.9 secs Computing kpt #: 174 total cpu time spent up to now is 645.5 secs Computing kpt #: 175 total cpu time spent up to now is 649.2 secs Computing kpt #: 176 total cpu time spent up to now is 652.8 secs Computing kpt #: 177 total cpu time spent up to now is 656.4 secs Computing kpt #: 178 total cpu time spent up to now is 660.0 secs Computing kpt #: 179 total cpu time spent up to now is 663.5 secs Computing kpt #: 180 total cpu time spent up to now is 667.0 secs Computing kpt #: 181 total cpu time spent up to now is 670.7 secs Computing kpt #: 182 total cpu time spent up to now is 674.3 secs Computing kpt #: 183 total cpu time spent up to now is 677.7 secs Computing kpt #: 184 total cpu time spent up to now is 681.4 secs Computing kpt #: 185 total cpu time spent up to now is 685.0 secs Computing kpt #: 186 total cpu time spent up to now is 688.5 secs Computing kpt #: 187 total cpu time spent up to now is 692.0 secs Computing kpt #: 188 total cpu time spent up to now is 695.6 secs Computing kpt #: 189 total cpu time spent up to now is 699.7 secs Computing kpt #: 190 total cpu time spent up to now is 703.8 secs Computing kpt #: 191 total cpu time spent up to now is 707.3 secs Computing kpt #: 192 total cpu time spent up to now is 711.4 secs Computing kpt #: 193 total cpu time spent up to now is 715.5 secs Computing kpt #: 194 total cpu time spent up to now is 719.0 secs Computing kpt #: 195 total cpu time spent up to now is 723.0 secs Computing kpt #: 196 total cpu time spent up to now is 727.8 secs Computing kpt #: 197 total cpu time spent up to now is 731.3 secs Computing kpt #: 198 total cpu time spent up to now is 734.9 secs Computing kpt #: 199 total cpu time spent up to now is 738.4 secs Computing kpt #: 200 total cpu time spent up to now is 741.9 secs Computing kpt #: 201 total cpu time spent up to now is 745.4 secs Computing kpt #: 202 total cpu time spent up to now is 749.0 secs Computing kpt #: 203 total cpu time spent up to now is 752.5 secs Computing kpt #: 204 total cpu time spent up to now is 756.0 secs Computing kpt #: 205 total cpu time spent up to now is 759.4 secs Computing kpt #: 206 total cpu time spent up to now is 762.9 secs Computing kpt #: 207 total cpu time spent up to now is 766.4 secs Computing kpt #: 208 total cpu time spent up to now is 769.8 secs Computing kpt #: 209 total cpu time spent up to now is 773.2 secs Computing kpt #: 210 total cpu time spent up to now is 776.5 secs Computing kpt #: 211 total cpu time spent up to now is 779.9 secs Computing kpt #: 212 total cpu time spent up to now is 783.2 secs Computing kpt #: 213 total cpu time spent up to now is 786.5 secs Computing kpt #: 214 total cpu time spent up to now is 789.9 secs Computing kpt #: 215 total cpu time spent up to now is 793.2 secs Computing kpt #: 216 total cpu time spent up to now is 796.5 secs Computing kpt #: 217 total cpu time spent up to now is 799.8 secs Computing kpt #: 218 total cpu time spent up to now is 803.1 secs Computing kpt #: 219 total cpu time spent up to now is 806.4 secs Computing kpt #: 220 total cpu time spent up to now is 809.6 secs Computing kpt #: 221 total cpu time spent up to now is 812.9 secs Computing kpt #: 222 total cpu time spent up to now is 816.1 secs Computing kpt #: 223 total cpu time spent up to now is 819.4 secs Computing kpt #: 224 total cpu time spent up to now is 823.2 secs Computing kpt #: 225 total cpu time spent up to now is 826.5 secs Computing kpt #: 226 total cpu time spent up to now is 829.7 secs Computing kpt #: 227 total cpu time spent up to now is 833.0 secs Computing kpt #: 228 total cpu time spent up to now is 836.4 secs Computing kpt #: 229 total cpu time spent up to now is 839.7 secs Computing kpt #: 230 total cpu time spent up to now is 843.0 secs Computing kpt #: 231 total cpu time spent up to now is 846.4 secs Computing kpt #: 232 total cpu time spent up to now is 849.7 secs Computing kpt #: 233 total cpu time spent up to now is 853.0 secs Computing kpt #: 234 total cpu time spent up to now is 856.2 secs Computing kpt #: 235 total cpu time spent up to now is 859.5 secs Computing kpt #: 236 total cpu time spent up to now is 862.7 secs Computing kpt #: 237 total cpu time spent up to now is 865.9 secs Computing kpt #: 238 total cpu time spent up to now is 869.1 secs Computing kpt #: 239 total cpu time spent up to now is 872.0 secs Computing kpt #: 240 total cpu time spent up to now is 874.8 secs Computing kpt #: 241 total cpu time spent up to now is 877.6 secs Computing kpt #: 242 total cpu time spent up to now is 880.8 secs Computing kpt #: 243 total cpu time spent up to now is 884.1 secs Computing kpt #: 244 total cpu time spent up to now is 887.3 secs Computing kpt #: 245 total cpu time spent up to now is 890.6 secs Computing kpt #: 246 total cpu time spent up to now is 894.0 secs Computing kpt #: 247 total cpu time spent up to now is 897.5 secs Computing kpt #: 248 total cpu time spent up to now is 901.6 secs Computing kpt #: 249 total cpu time spent up to now is 905.8 secs Computing kpt #: 250 total cpu time spent up to now is 909.9 secs Computing kpt #: 251 total cpu time spent up to now is 913.5 secs Computing kpt #: 252 total cpu time spent up to now is 916.9 secs Computing kpt #: 253 total cpu time spent up to now is 920.3 secs Computing kpt #: 254 total cpu time spent up to now is 923.7 secs Computing kpt #: 255 total cpu time spent up to now is 927.1 secs Computing kpt #: 256 total cpu time spent up to now is 930.5 secs Computing kpt #: 257 total cpu time spent up to now is 933.9 secs Computing kpt #: 258 total cpu time spent up to now is 937.3 secs Computing kpt #: 259 total cpu time spent up to now is 940.6 secs Computing kpt #: 260 total cpu time spent up to now is 943.9 secs Computing kpt #: 261 total cpu time spent up to now is 946.9 secs Computing kpt #: 262 total cpu time spent up to now is 950.3 secs Computing kpt #: 263 total cpu time spent up to now is 953.7 secs Computing kpt #: 264 total cpu time spent up to now is 957.2 secs Computing kpt #: 265 total cpu time spent up to now is 960.6 secs Computing kpt #: 266 total cpu time spent up to now is 964.1 secs Computing kpt #: 267 total cpu time spent up to now is 967.6 secs Computing kpt #: 268 total cpu time spent up to now is 971.2 secs Computing kpt #: 269 total cpu time spent up to now is 974.8 secs Computing kpt #: 270 total cpu time spent up to now is 979.6 secs Computing kpt #: 271 total cpu time spent up to now is 983.8 secs Computing kpt #: 272 total cpu time spent up to now is 988.0 secs Computing kpt #: 273 total cpu time spent up to now is 991.7 secs Computing kpt #: 274 total cpu time spent up to now is 995.5 secs Computing kpt #: 275 total cpu time spent up to now is 999.1 secs Computing kpt #: 276 total cpu time spent up to now is 1002.8 secs Computing kpt #: 277 total cpu time spent up to now is 1006.4 secs Computing kpt #: 278 total cpu time spent up to now is 1010.0 secs Computing kpt #: 279 total cpu time spent up to now is 1013.6 secs Computing kpt #: 280 total cpu time spent up to now is 1017.2 secs Computing kpt #: 281 total cpu time spent up to now is 1020.8 secs Computing kpt #: 282 total cpu time spent up to now is 1024.4 secs Computing kpt #: 283 total cpu time spent up to now is 1028.0 secs Computing kpt #: 284 total cpu time spent up to now is 1031.6 secs Computing kpt #: 285 total cpu time spent up to now is 1035.0 secs Computing kpt #: 286 total cpu time spent up to now is 1038.4 secs Computing kpt #: 287 total cpu time spent up to now is 1041.7 secs Computing kpt #: 288 total cpu time spent up to now is 1044.9 secs Computing kpt #: 289 total cpu time spent up to now is 1047.7 secs Computing kpt #: 290 total cpu time spent up to now is 1050.5 secs Computing kpt #: 291 total cpu time spent up to now is 1053.3 secs Computing kpt #: 292 total cpu time spent up to now is 1056.0 secs Computing kpt #: 293 total cpu time spent up to now is 1058.8 secs Computing kpt #: 294 total cpu time spent up to now is 1061.6 secs Computing kpt #: 295 total cpu time spent up to now is 1064.9 secs Computing kpt #: 296 total cpu time spent up to now is 1068.1 secs Computing kpt #: 297 total cpu time spent up to now is 1071.3 secs Computing kpt #: 298 total cpu time spent up to now is 1074.6 secs Computing kpt #: 299 total cpu time spent up to now is 1077.9 secs Computing kpt #: 300 total cpu time spent up to now is 1081.2 secs ethr = 1.72E-08, avg # of iterations = 32.1 total cpu time spent up to now is 1081.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 12711 PWs) bands (ev): -16.6296 -16.6296 -16.3781 -16.3781 -16.3775 -16.3775 -16.3342 -16.3342 -13.6963 -13.6963 -13.6778 -13.6778 -2.7134 -2.7134 -2.3771 -2.3771 -1.5578 -1.5578 -1.2153 -1.2153 -1.0274 -1.0274 -0.9773 -0.9773 -0.9026 -0.9026 -0.3920 -0.3920 0.3203 0.3203 1.0013 1.0013 1.0445 1.0445 1.2906 1.2906 1.3386 1.3386 1.5856 1.5856 2.2678 2.2678 2.3058 2.3058 2.3294 2.3294 2.4553 2.4553 2.5828 2.5828 2.6269 2.6269 2.6316 2.6316 2.9900 2.9900 3.2232 3.2232 7.0047 7.0047 10.1271 10.1271 10.4436 10.4436 11.0463 11.0463 11.2728 11.2728 11.9729 11.9729 k = 0.0000 0.0000 0.0248 ( 12711 PWs) bands (ev): -16.6294 -16.6294 -16.3781 -16.3781 -16.3775 -16.3775 -16.3342 -16.3342 -13.6963 -13.6963 -13.6779 -13.6779 -2.7134 -2.7134 -2.3772 -2.3772 -1.5578 -1.5578 -1.2154 -1.2154 -1.0276 -1.0276 -0.9779 -0.9779 -0.9022 -0.9022 -0.3934 -0.3934 0.3198 0.3198 0.9986 0.9986 1.0425 1.0425 1.2813 1.2813 1.3379 1.3379 1.5964 1.5964 2.2684 2.2684 2.3062 2.3062 2.3297 2.3297 2.4544 2.4544 2.5794 2.5794 2.6269 2.6269 2.6357 2.6357 2.9898 2.9898 3.2275 3.2275 7.0071 7.0071 10.1285 10.1285 10.4448 10.4448 11.0489 11.0489 11.2748 11.2748 11.9735 11.9735 k = 0.0000 0.0000 0.0497 ( 12703 PWs) bands (ev): -16.6288 -16.6288 -16.3781 -16.3781 -16.3773 -16.3773 -16.3342 -16.3342 -13.6964 -13.6964 -13.6779 -13.6779 -2.7133 -2.7133 -2.3778 -2.3778 -1.5576 -1.5576 -1.2156 -1.2156 -1.0282 -1.0282 -0.9796 -0.9796 -0.9012 -0.9012 -0.3976 -0.3976 0.3182 0.3182 0.9900 0.9900 1.0369 1.0369 1.2563 1.2563 1.3366 1.3366 1.6252 1.6252 2.2700 2.2700 2.3073 2.3073 2.3308 2.3308 2.4519 2.4519 2.5723 2.5723 2.6270 2.6270 2.6449 2.6449 2.9894 2.9894 3.2405 3.2405 7.0143 7.0143 10.1327 10.1327 10.4482 10.4482 11.0565 11.0565 11.2808 11.2808 11.9753 11.9753 k = 0.0000 0.0000 0.0745 ( 12683 PWs) bands (ev): -16.6279 -16.6279 -16.3781 -16.3781 -16.3771 -16.3771 -16.3343 -16.3343 -13.6965 -13.6965 -13.6780 -13.6780 -2.7133 -2.7133 -2.3786 -2.3786 -1.5574 -1.5574 -1.2161 -1.2161 -1.0291 -1.0291 -0.9822 -0.9822 -0.8996 -0.8996 -0.4046 -0.4046 0.3155 0.3155 0.9749 0.9749 1.0286 1.0286 1.2214 1.2214 1.3354 1.3354 1.6653 1.6653 2.2727 2.2727 2.3089 2.3089 2.3324 2.3324 2.4475 2.4475 2.5660 2.5660 2.6272 2.6272 2.6556 2.6556 2.9887 2.9887 3.2615 3.2615 7.0262 7.0262 10.1396 10.1396 10.4539 10.4539 11.0690 11.0690 11.2907 11.2907 11.9783 11.9783 k = 0.0000 0.0000 0.0994 ( 12691 PWs) bands (ev): -16.6266 -16.6266 -16.3782 -16.3782 -16.3769 -16.3769 -16.3344 -16.3344 -13.6967 -13.6967 -13.6781 -13.6781 -2.7132 -2.7132 -2.3799 -2.3799 -1.5571 -1.5571 -1.2168 -1.2168 -1.0305 -1.0305 -0.9853 -0.9853 -0.8977 -0.8977 -0.4144 -0.4144 0.3119 0.3119 0.9530 0.9530 1.0185 1.0185 1.1811 1.1811 1.3347 1.3347 1.7113 1.7113 2.2764 2.2764 2.3105 2.3105 2.3344 2.3344 2.4417 2.4417 2.5630 2.5630 2.6278 2.6278 2.6660 2.6660 2.9879 2.9879 3.2900 3.2900 7.0429 7.0429 10.1492 10.1492 10.4617 10.4617 11.0865 11.0865 11.3045 11.3045 11.9826 11.9826 k = 0.0000 0.0000 0.1242 ( 12685 PWs) bands (ev): -16.6250 -16.6250 -16.3782 -16.3782 -16.3766 -16.3766 -16.3345 -16.3345 -13.6969 -13.6969 -13.6783 -13.6783 -2.7132 -2.7132 -2.3814 -2.3814 -1.5569 -1.5569 -1.2177 -1.2177 -1.0324 -1.0324 -0.9887 -0.9887 -0.8957 -0.8957 -0.4269 -0.4269 0.3073 0.3073 0.9248 0.9248 1.0068 1.0068 1.1376 1.1376 1.3350 1.3350 1.7601 1.7601 2.2810 2.2810 2.3116 2.3116 2.3359 2.3359 2.4357 2.4357 2.5646 2.5646 2.6290 2.6290 2.6755 2.6755 2.9869 2.9869 3.3249 3.3249 7.0641 7.0641 10.1614 10.1614 10.4716 10.4716 11.1088 11.1088 11.3222 11.3222 11.9880 11.9880 k = 0.0000 0.0000 0.1491 ( 12679 PWs) bands (ev): -16.6231 -16.6231 -16.3781 -16.3781 -16.3763 -16.3763 -16.3346 -16.3346 -13.6972 -13.6972 -13.6784 -13.6784 -2.7131 -2.7131 -2.3834 -2.3834 -1.5568 -1.5568 -1.2191 -1.2191 -1.0346 -1.0346 -0.9920 -0.9920 -0.8937 -0.8937 -0.4421 -0.4421 0.3018 0.3018 0.8915 0.8915 0.9931 0.9931 1.0922 1.0922 1.3365 1.3365 1.8097 1.8097 2.2862 2.2862 2.3114 2.3114 2.3361 2.3361 2.4318 2.4318 2.5707 2.5707 2.6313 2.6313 2.6839 2.6839 2.9859 2.9859 3.3654 3.3654 7.0899 7.0899 10.1762 10.1762 10.4834 10.4834 11.1356 11.1356 11.3437 11.3437 11.9948 11.9948 k = 0.0000 0.0000 0.1739 ( 12679 PWs) bands (ev): -16.6208 -16.6208 -16.3781 -16.3781 -16.3759 -16.3759 -16.3347 -16.3347 -13.6975 -13.6975 -13.6786 -13.6786 -2.7132 -2.7132 -2.3857 -2.3857 -1.5570 -1.5570 -1.2210 -1.2210 -1.0373 -1.0373 -0.9950 -0.9950 -0.8920 -0.8920 -0.4597 -0.4597 0.2955 0.2955 0.8546 0.8546 0.9760 0.9760 1.0467 1.0467 1.3392 1.3392 1.8586 1.8586 2.2915 2.2915 2.3090 2.3090 2.3350 2.3350 2.4321 2.4321 2.5807 2.5807 2.6355 2.6355 2.6913 2.6913 2.9851 2.9851 3.4105 3.4105 7.1201 7.1201 10.1933 10.1933 10.4969 10.4969 11.1668 11.1668 11.3689 11.3689 12.0029 12.0029 k = 0.0000 0.0000 0.1987 ( 12679 PWs) bands (ev): -16.6181 -16.6181 -16.3781 -16.3781 -16.3755 -16.3755 -16.3349 -16.3349 -13.6978 -13.6978 -13.6788 -13.6788 -2.7133 -2.7133 -2.3883 -2.3883 -1.5574 -1.5574 -1.2236 -1.2236 -1.0404 -1.0404 -0.9974 -0.9974 -0.8906 -0.8906 -0.4799 -0.4799 0.2884 0.2884 0.8153 0.8153 0.9510 0.9510 1.0054 1.0054 1.3432 1.3432 1.9057 1.9057 2.2929 2.2929 2.3064 2.3064 2.3342 2.3342 2.4370 2.4370 2.5927 2.5927 2.6436 2.6436 2.6981 2.6981 2.9848 2.9848 3.4593 3.4593 7.1545 7.1545 10.2127 10.2127 10.5120 10.5120 11.2022 11.2022 11.3976 11.3976 12.0123 12.0123 k = 0.0000 0.0000 0.2236 ( 12675 PWs) bands (ev): -16.6152 -16.6152 -16.3780 -16.3780 -16.3751 -16.3751 -16.3350 -16.3350 -13.6981 -13.6981 -13.6790 -13.6790 -2.7135 -2.7135 -2.3913 -2.3913 -1.5584 -1.5584 -1.2270 -1.2270 -1.0437 -1.0437 -0.9991 -0.9991 -0.8896 -0.8896 -0.5023 -0.5023 0.2806 0.2806 0.7748 0.7748 0.9116 0.9116 0.9753 0.9753 1.3483 1.3483 1.9504 1.9504 2.2835 2.2835 2.3103 2.3103 2.3351 2.3351 2.4454 2.4454 2.6038 2.6038 2.6577 2.6577 2.7052 2.7052 2.9852 2.9852 3.5108 3.5108 7.1932 7.1932 10.2343 10.2343 10.5284 10.5284 11.2413 11.2413 11.4298 11.4298 12.0231 12.0231 k = 0.0000 0.0000 0.2484 ( 12679 PWs) bands (ev): -16.6119 -16.6119 -16.3779 -16.3779 -16.3746 -16.3746 -16.3352 -16.3352 -13.6985 -13.6985 -13.6792 -13.6792 -2.7139 -2.7139 -2.3947 -2.3947 -1.5598 -1.5598 -1.2314 -1.2314 -1.0471 -1.0471 -0.9999 -0.9999 -0.8892 -0.8892 -0.5269 -0.5269 0.2720 0.2720 0.7337 0.7337 0.8610 0.8610 0.9534 0.9534 1.3544 1.3544 1.9919 1.9919 2.2687 2.2687 2.3167 2.3167 2.3379 2.3379 2.4560 2.4560 2.6119 2.6119 2.6764 2.6764 2.7163 2.7163 2.9868 2.9868 3.5644 3.5644 7.2358 7.2358 10.2577 10.2577 10.5459 10.5459 11.2839 11.2839 11.4653 11.4653 12.0354 12.0354 k = 0.0000 0.0000 0.2733 ( 12671 PWs) bands (ev): -16.6084 -16.6084 -16.3778 -16.3778 -16.3741 -16.3741 -16.3354 -16.3354 -13.6989 -13.6989 -13.6795 -13.6795 -2.7145 -2.7145 -2.3984 -2.3984 -1.5619 -1.5619 -1.2370 -1.2370 -1.0506 -1.0506 -0.9997 -0.9997 -0.8893 -0.8893 -0.5536 -0.5536 0.2627 0.2627 0.6927 0.6927 0.8053 0.8053 0.9342 0.9342 1.3614 1.3614 2.0300 2.0300 2.2524 2.2524 2.3229 2.3229 2.3427 2.3427 2.4677 2.4677 2.6179 2.6179 2.6907 2.6907 2.7388 2.7388 2.9902 2.9902 3.6194 3.6194 7.2822 7.2822 10.2829 10.2829 10.5642 10.5642 11.3296 11.3296 11.5039 11.5039 12.0492 12.0492 k = 0.0000 0.0000 0.2981 ( 12683 PWs) bands (ev): -16.6046 -16.6046 -16.3778 -16.3778 -16.3735 -16.3735 -16.3357 -16.3357 -13.6993 -13.6993 -13.6797 -13.6797 -2.7152 -2.7152 -2.4026 -2.4026 -1.5646 -1.5646 -1.2439 -1.2439 -1.0542 -1.0542 -0.9985 -0.9985 -0.8901 -0.8901 -0.5820 -0.5820 0.2526 0.2526 0.6521 0.6521 0.7473 0.7473 0.9156 0.9156 1.3691 1.3691 2.0640 2.0640 2.2365 2.2365 2.3282 2.3282 2.3495 2.3495 2.4798 2.4798 2.6229 2.6229 2.6974 2.6974 2.7738 2.7738 2.9965 2.9965 3.6753 3.6753 7.3323 7.3323 10.3095 10.3095 10.5831 10.5831 11.3779 11.3779 11.5454 11.5454 12.0645 12.0645 k = 0.0000 0.0000 0.3229 ( 12687 PWs) bands (ev): -16.6005 -16.6005 -16.3777 -16.3777 -16.3730 -16.3730 -16.3359 -16.3359 -13.6997 -13.6997 -13.6799 -13.6799 -2.7162 -2.7162 -2.4070 -2.4070 -1.5681 -1.5681 -1.2520 -1.2520 -1.0579 -1.0579 -0.9962 -0.9962 -0.8915 -0.8915 -0.6121 -0.6121 0.2417 0.2417 0.6120 0.6120 0.6886 0.6886 0.8969 0.8969 1.3774 1.3774 2.0932 2.0932 2.2228 2.2228 2.3328 2.3328 2.3581 2.3581 2.4921 2.4921 2.6278 2.6278 2.7004 2.7004 2.8141 2.8141 3.0076 3.0076 3.7314 3.7314 7.3859 7.3859 10.3373 10.3373 10.6024 10.6024 11.4282 11.4282 11.5895 11.5895 12.0815 12.0815 k = 0.0000 0.0000 0.3478 ( 12685 PWs) bands (ev): -16.5962 -16.5962 -16.3776 -16.3776 -16.3724 -16.3724 -16.3361 -16.3361 -13.7001 -13.7001 -13.6800 -13.6800 -2.7174 -2.7174 -2.4119 -2.4119 -1.5724 -1.5724 -1.2615 -1.2615 -1.0619 -1.0619 -0.9928 -0.9928 -0.8935 -0.8935 -0.6435 -0.6435 0.2299 0.2299 0.5713 0.5713 0.6311 0.6311 0.8780 0.8780 1.3863 1.3863 2.1158 2.1158 2.2138 2.2138 2.3371 2.3371 2.3677 2.3677 2.5044 2.5044 2.6328 2.6328 2.7019 2.7019 2.8538 2.8538 3.0266 3.0266 3.7874 3.7874 7.4427 7.4427 10.3661 10.3661 10.6217 10.6217 11.4799 11.4799 11.6360 11.6360 12.1001 12.1001 k = 0.0000 0.0000 0.3726 ( 12681 PWs) bands (ev): -16.5916 -16.5916 -16.3775 -16.3775 -16.3717 -16.3717 -16.3364 -16.3364 -13.7005 -13.7005 -13.6802 -13.6802 -2.7189 -2.7189 -2.4171 -2.4171 -1.5775 -1.5775 -1.2722 -1.2722 -1.0662 -1.0662 -0.9884 -0.9884 -0.8961 -0.8961 -0.6761 -0.6761 0.2171 0.2171 0.5275 0.5275 0.5783 0.5783 0.8589 0.8589 1.3955 1.3955 2.1288 2.1288 2.2133 2.2133 2.3416 2.3416 2.3780 2.3780 2.5166 2.5166 2.6381 2.6381 2.7026 2.7026 2.8876 2.8876 3.0574 3.0574 3.8430 3.8430 7.5026 7.5026 10.3955 10.3955 10.6408 10.6408 11.5322 11.5322 11.6845 11.6845 12.1205 12.1205 k = 0.0000 0.0000 0.3975 ( 12689 PWs) bands (ev): -16.5869 -16.5869 -16.3775 -16.3775 -16.3711 -16.3711 -16.3367 -16.3367 -13.7009 -13.7009 -13.6803 -13.6803 -2.7207 -2.7207 -2.4226 -2.4226 -1.5833 -1.5833 -1.2841 -1.2841 -1.0710 -1.0710 -0.9834 -0.9834 -0.8993 -0.8993 -0.7096 -0.7096 0.2032 0.2032 0.4770 0.4770 0.5347 0.5347 0.8395 0.8395 1.4051 1.4051 2.1314 2.1314 2.2226 2.2226 2.3464 2.3464 2.3887 2.3887 2.5285 2.5285 2.6437 2.6437 2.7028 2.7028 2.9127 2.9127 3.1018 3.1018 3.8978 3.8978 7.5654 7.5654 10.4252 10.4252 10.6593 10.6593 11.5841 11.5841 11.7345 11.7345 12.1425 12.1425 k = 0.0000 0.0000 0.4223 ( 12695 PWs) bands (ev): -16.5819 -16.5819 -16.3774 -16.3774 -16.3704 -16.3704 -16.3369 -16.3369 -13.7013 -13.7013 -13.6803 -13.6803 -2.7228 -2.7228 -2.4285 -2.4285 -1.5899 -1.5899 -1.2971 -1.2971 -1.0763 -1.0763 -0.9780 -0.9780 -0.9030 -0.9030 -0.7437 -0.7437 0.1880 0.1880 0.4210 0.4210 0.4998 0.4998 0.8201 0.8201 1.4150 1.4150 2.1278 2.1278 2.2379 2.2379 2.3520 2.3520 2.3995 2.3995 2.5403 2.5403 2.6497 2.6497 2.7030 2.7030 2.9305 2.9305 3.1576 3.1576 3.9516 3.9516 7.6308 7.6308 10.4549 10.4549 10.6771 10.6771 11.6345 11.6345 11.7855 11.7855 12.1662 12.1662 k = 0.0000 0.0000 0.4472 ( 12679 PWs) bands (ev): -16.5769 -16.5769 -16.3774 -16.3774 -16.3696 -16.3696 -16.3372 -16.3372 -13.7016 -13.7016 -13.6804 -13.6804 -2.7252 -2.7252 -2.4348 -2.4348 -1.5973 -1.5973 -1.3111 -1.3111 -1.0822 -1.0822 -0.9730 -0.9730 -0.9071 -0.9071 -0.7780 -0.7780 0.1713 0.1713 0.3632 0.3632 0.4704 0.4704 0.8007 0.8007 1.4252 1.4252 2.1225 2.1225 2.2550 2.2550 2.3585 2.3585 2.4104 2.4104 2.5517 2.5517 2.6558 2.6558 2.7034 2.7034 2.9439 2.9439 3.2212 3.2212 4.0041 4.0041 7.6986 7.6986 10.4843 10.4843 10.6938 10.6938 11.6819 11.6819 11.8368 11.8368 12.1916 12.1916 k = 0.0000 0.0000 0.4720 ( 12689 PWs) bands (ev): -16.5717 -16.5717 -16.3774 -16.3774 -16.3689 -16.3689 -16.3375 -16.3375 -13.7019 -13.7019 -13.6803 -13.6803 -2.7280 -2.7280 -2.4414 -2.4414 -1.6054 -1.6054 -1.3260 -1.3260 -1.0887 -1.0887 -0.9689 -0.9689 -0.9116 -0.9116 -0.8119 -0.8119 0.1526 0.1526 0.3064 0.3064 0.4451 0.4451 0.7814 0.7814 1.4355 1.4355 2.1178 2.1178 2.2716 2.2716 2.3662 2.3662 2.4213 2.4213 2.5629 2.5629 2.6616 2.6616 2.7047 2.7047 2.9552 2.9552 3.2897 3.2897 4.0551 4.0551 7.7686 7.7686 10.5131 10.5131 10.7091 10.7091 11.7247 11.7247 11.8874 11.8874 12.2185 12.2185 k = 0.0000 0.0000 0.4968 ( 12686 PWs) bands (ev): -16.5663 -16.5663 -16.3774 -16.3774 -16.3681 -16.3681 -16.3378 -16.3378 -13.7022 -13.7022 -13.6803 -13.6803 -2.7311 -2.7311 -2.4483 -2.4483 -1.6141 -1.6141 -1.3417 -1.3417 -1.0958 -1.0958 -0.9666 -0.9666 -0.9168 -0.9168 -0.8444 -0.8444 0.1307 0.1307 0.2526 0.2526 0.4231 0.4231 0.7624 0.7624 1.4459 1.4459 2.1148 2.1148 2.2867 2.2867 2.3754 2.3754 2.4320 2.4320 2.5736 2.5736 2.6669 2.6669 2.7072 2.7072 2.9656 2.9656 3.3616 3.3616 4.1047 4.1047 7.8404 7.8404 10.5410 10.5410 10.7227 10.7227 11.7611 11.7611 11.9363 11.9363 12.2468 12.2468 k = 0.0000 0.0000 0.5217 ( 12678 PWs) bands (ev): -16.5609 -16.5609 -16.3774 -16.3774 -16.3673 -16.3673 -16.3381 -16.3381 -13.7025 -13.7025 -13.6801 -13.6801 -2.7345 -2.7345 -2.4555 -2.4555 -1.6235 -1.6235 -1.3581 -1.3581 -1.1036 -1.1036 -0.9669 -0.9669 -0.9250 -0.9250 -0.8724 -0.8724 0.1035 0.1035 0.2053 0.2053 0.4040 0.4040 0.7436 0.7436 1.4565 1.4565 2.1140 2.1140 2.2999 2.2999 2.3863 2.3863 2.4425 2.4425 2.5838 2.5838 2.6713 2.6713 2.7115 2.7115 2.9758 2.9758 3.4355 3.4355 4.1525 4.1525 7.9139 7.9139 10.5676 10.5676 10.7344 10.7344 11.7893 11.7893 11.9818 11.9818 12.2760 12.2760 k = 0.0000 0.0000 0.5465 ( 12686 PWs) bands (ev): -16.5554 -16.5554 -16.3774 -16.3774 -16.3665 -16.3665 -16.3384 -16.3384 -13.7027 -13.7027 -13.6799 -13.6799 -2.7382 -2.7382 -2.4630 -2.4630 -1.6333 -1.6333 -1.3752 -1.3752 -1.1122 -1.1122 -0.9706 -0.9706 -0.9412 -0.9412 -0.8901 -0.8901 0.0680 0.0680 0.1677 0.1677 0.3875 0.3875 0.7254 0.7254 1.4671 1.4671 2.1156 2.1156 2.3111 2.3111 2.3988 2.3988 2.4527 2.4527 2.5934 2.5934 2.6749 2.6749 2.7177 2.7177 2.9861 2.9861 3.5109 3.5109 4.1985 4.1985 7.9887 7.9887 10.5928 10.5928 10.7437 10.7437 11.8076 11.8076 12.0223 12.0223 12.3057 12.3057 k = 0.0000 0.0000 0.5714 ( 12686 PWs) bands (ev): -16.5499 -16.5499 -16.3775 -16.3775 -16.3657 -16.3657 -16.3387 -16.3387 -13.7028 -13.7028 -13.6797 -13.6797 -2.7423 -2.7423 -2.4708 -2.4708 -1.6436 -1.6436 -1.3928 -1.3928 -1.1215 -1.1215 -0.9807 -0.9807 -0.9630 -0.9630 -0.8972 -0.8972 0.0245 0.0245 0.1404 0.1404 0.3732 0.3732 0.7077 0.7077 1.4778 1.4778 2.1197 2.1197 2.3206 2.3206 2.4125 2.4125 2.4626 2.4626 2.6022 2.6022 2.6782 2.6782 2.7256 2.7256 2.9967 2.9967 3.5870 3.5870 4.2426 4.2426 8.0644 8.0644 10.6163 10.6163 10.7503 10.7503 11.8149 11.8149 12.0560 12.0560 12.3350 12.3350 k = 0.0000 0.0000 0.5962 ( 12688 PWs) bands (ev): -16.5444 -16.5444 -16.3776 -16.3776 -16.3648 -16.3648 -16.3390 -16.3390 -13.7029 -13.7029 -13.6794 -13.6794 -2.7466 -2.7466 -2.4787 -2.4787 -1.6544 -1.6544 -1.4111 -1.4111 -1.1316 -1.1316 -1.0046 -1.0046 -0.9766 -0.9766 -0.8997 -0.8997 -0.0234 -0.0234 0.1205 0.1205 0.3608 0.3608 0.6907 0.6907 1.4885 1.4885 2.1263 2.1263 2.3286 2.3286 2.4272 2.4272 2.4721 2.4721 2.6100 2.6100 2.6818 2.6818 2.7346 2.7346 3.0076 3.0076 3.6634 3.6634 4.2849 4.2849 8.1409 8.1409 10.6380 10.6380 10.7540 10.7540 11.8108 11.8108 12.0813 12.0813 12.3625 12.3625 k = 0.0000 0.0000 0.6210 ( 12678 PWs) bands (ev): -16.5389 -16.5389 -16.3777 -16.3777 -16.3640 -16.3640 -16.3393 -16.3393 -13.7030 -13.7030 -13.6790 -13.6790 -2.7513 -2.7513 -2.4869 -2.4869 -1.6654 -1.6654 -1.4298 -1.4298 -1.1427 -1.1427 -1.0343 -1.0343 -0.9863 -0.9863 -0.9012 -0.9012 -0.0726 -0.0726 0.1052 0.1052 0.3502 0.3502 0.6745 0.6745 1.4992 1.4992 2.1353 2.1353 2.3355 2.3355 2.4423 2.4423 2.4813 2.4813 2.6164 2.6164 2.6865 2.6865 2.7445 2.7445 3.0189 3.0189 3.7398 3.7398 4.3252 4.3252 8.2178 8.2178 10.6575 10.6575 10.7544 10.7544 11.7954 11.7954 12.0968 12.0968 12.3861 12.3861 k = 0.0000 0.0000 0.6459 ( 12664 PWs) bands (ev): -16.5335 -16.5335 -16.3778 -16.3778 -16.3631 -16.3631 -16.3396 -16.3396 -13.7030 -13.7030 -13.6786 -13.6786 -2.7561 -2.7561 -2.4953 -2.4953 -1.6768 -1.6768 -1.4490 -1.4490 -1.1549 -1.1549 -1.0643 -1.0643 -0.9962 -0.9962 -0.9032 -0.9032 -0.1213 -0.1213 0.0934 0.0934 0.3410 0.3410 0.6592 0.6592 1.5099 1.5099 2.1467 2.1467 2.3417 2.3417 2.4576 2.4576 2.4901 2.4901 2.6215 2.6215 2.6926 2.6926 2.7550 2.7550 3.0306 3.0306 3.8158 3.8158 4.3635 4.3635 8.2947 8.2947 10.6746 10.6746 10.7514 10.7514 11.7698 11.7698 12.1022 12.1022 12.4026 12.4026 k = 0.0000 0.0000 0.6707 ( 12648 PWs) bands (ev): -16.5281 -16.5281 -16.3779 -16.3779 -16.3622 -16.3622 -16.3398 -16.3398 -13.7030 -13.7030 -13.6781 -13.6781 -2.7612 -2.7612 -2.5038 -2.5038 -1.6883 -1.6883 -1.4686 -1.4686 -1.1684 -1.1684 -1.0931 -1.0931 -1.0066 -1.0066 -0.9062 -0.9062 -0.1688 -0.1688 0.0844 0.0844 0.3330 0.3330 0.6448 0.6448 1.5205 1.5205 2.1602 2.1602 2.3474 2.3474 2.4726 2.4726 2.4986 2.4986 2.6251 2.6251 2.7002 2.7002 2.7659 2.7659 3.0424 3.0424 3.8912 3.8912 4.3999 4.3999 8.3713 8.3713 10.6884 10.6884 10.7454 10.7454 11.7352 11.7352 12.0978 12.0978 12.4101 12.4101 k = 0.0000 0.0000 0.6956 ( 12636 PWs) bands (ev): -16.5228 -16.5228 -16.3781 -16.3781 -16.3612 -16.3612 -16.3401 -16.3401 -13.7030 -13.7030 -13.6776 -13.6776 -2.7665 -2.7665 -2.5124 -2.5124 -1.6999 -1.6999 -1.4885 -1.4885 -1.1836 -1.1836 -1.1199 -1.1199 -1.0175 -1.0175 -0.9106 -0.9106 -0.2144 -0.2144 0.0779 0.0779 0.3261 0.3261 0.6314 0.6314 1.5311 1.5311 2.1758 2.1758 2.3526 2.3526 2.4871 2.4871 2.5069 2.5069 2.6275 2.6275 2.7093 2.7093 2.7771 2.7771 3.0545 3.0545 3.9656 3.9656 4.4343 4.4343 8.4473 8.4473 10.6964 10.6964 10.7387 10.7387 11.6931 11.6931 12.0850 12.0850 12.4099 12.4099 k = 0.0000 0.0000 0.7204 ( 12632 PWs) bands (ev): -16.5176 -16.5176 -16.3783 -16.3783 -16.3603 -16.3603 -16.3403 -16.3403 -13.7028 -13.7028 -13.6770 -13.6770 -2.7719 -2.7719 -2.5210 -2.5210 -1.7117 -1.7117 -1.5087 -1.5087 -1.2007 -1.2007 -1.1442 -1.1442 -1.0288 -1.0288 -0.9163 -0.9163 -0.2578 -0.2578 0.0736 0.0736 0.3202 0.3202 0.6192 0.6192 1.5416 1.5416 2.1930 2.1930 2.3575 2.3575 2.5006 2.5006 2.5154 2.5154 2.6291 2.6291 2.7196 2.7196 2.7883 2.7883 3.0666 3.0666 4.0389 4.0389 4.4668 4.4668 8.5224 8.5224 10.6924 10.6924 10.7373 10.7373 11.6450 11.6450 12.0651 12.0651 12.4059 12.4059 k = 0.0000 0.0000 0.7453 ( 12632 PWs) bands (ev): -16.5126 -16.5126 -16.3785 -16.3785 -16.3593 -16.3593 -16.3406 -16.3406 -13.7027 -13.7027 -13.6764 -13.6764 -2.7774 -2.7774 -2.5297 -2.5297 -1.7234 -1.7234 -1.5291 -1.5291 -1.2197 -1.2197 -1.1658 -1.1658 -1.0405 -1.0405 -0.9234 -0.9234 -0.2989 -0.2989 0.0714 0.0714 0.3150 0.3150 0.6080 0.6080 1.5520 1.5520 2.2118 2.2118 2.3622 2.3622 2.5120 2.5120 2.5251 2.5251 2.6301 2.6301 2.7308 2.7308 2.7997 2.7997 3.0788 3.0788 4.1106 4.1106 4.4973 4.4973 8.5962 8.5962 10.6751 10.6751 10.7424 10.7424 11.5921 11.5921 12.0400 12.0400 12.4006 12.4006 k = 0.0000 0.0000 0.7701 ( 12634 PWs) bands (ev): -16.5077 -16.5077 -16.3787 -16.3787 -16.3584 -16.3584 -16.3408 -16.3408 -13.7025 -13.7025 -13.6757 -13.6757 -2.7829 -2.7829 -2.5383 -2.5383 -1.7350 -1.7350 -1.5496 -1.5496 -1.2400 -1.2400 -1.1851 -1.1851 -1.0526 -1.0526 -0.9316 -0.9316 -0.3374 -0.3374 0.0710 0.0710 0.3106 0.3106 0.5979 0.5979 1.5622 1.5622 2.2319 2.2319 2.3667 2.3667 2.5207 2.5207 2.5363 2.5363 2.6308 2.6308 2.7426 2.7426 2.8111 2.8111 3.0909 3.0909 4.1807 4.1807 4.5260 4.5260 8.6685 8.6685 10.6491 10.6491 10.7495 10.7495 11.5359 11.5359 12.0109 12.0109 12.3955 12.3955 k = 0.0000 0.0000 0.7949 ( 12634 PWs) bands (ev): -16.5030 -16.5030 -16.3789 -16.3789 -16.3574 -16.3574 -16.3410 -16.3410 -13.7023 -13.7023 -13.6750 -13.6750 -2.7885 -2.7885 -2.5468 -2.5468 -1.7466 -1.7466 -1.5701 -1.5701 -1.2607 -1.2607 -1.2027 -1.2027 -1.0650 -1.0650 -0.9406 -0.9406 -0.3734 -0.3734 0.0721 0.0721 0.3067 0.3067 0.5890 0.5890 1.5723 1.5723 2.2530 2.2530 2.3711 2.3711 2.5276 2.5276 2.5484 2.5484 2.6313 2.6313 2.7548 2.7548 2.8224 2.8224 3.1028 3.1028 4.2488 4.2488 4.5528 4.5528 8.7390 8.7390 10.6170 10.6170 10.7564 10.7564 11.4774 11.4774 11.9791 11.9791 12.3904 12.3904 k = 0.0000 0.0000 0.8198 ( 12638 PWs) bands (ev): -16.4985 -16.4985 -16.3791 -16.3791 -16.3565 -16.3565 -16.3411 -16.3411 -13.7020 -13.7020 -13.6743 -13.6743 -2.7941 -2.7941 -2.5551 -2.5551 -1.7580 -1.7580 -1.5904 -1.5904 -1.2812 -1.2812 -1.2193 -1.2193 -1.0776 -1.0776 -0.9503 -0.9503 -0.4067 -0.4067 0.0746 0.0746 0.3033 0.3033 0.5811 0.5811 1.5821 1.5821 2.2748 2.2748 2.3753 2.3753 2.5335 2.5335 2.5604 2.5604 2.6317 2.6317 2.7672 2.7672 2.8337 2.8337 3.1146 3.1146 4.3147 4.3147 4.5777 4.5777 8.8075 8.8075 10.5799 10.5799 10.7625 10.7625 11.4175 11.4175 11.9456 11.9456 12.3842 12.3842 k = 0.0000 0.0000 0.8446 ( 12648 PWs) bands (ev): -16.4943 -16.4943 -16.3794 -16.3794 -16.3555 -16.3555 -16.3412 -16.3412 -13.7018 -13.7018 -13.6736 -13.6736 -2.7996 -2.7996 -2.5633 -2.5633 -1.7691 -1.7691 -1.6104 -1.6104 -1.3009 -1.3009 -1.2352 -1.2352 -1.0905 -1.0905 -0.9604 -0.9604 -0.4373 -0.4373 0.0780 0.0780 0.3004 0.3004 0.5743 0.5743 1.5916 1.5916 2.2970 2.2970 2.3794 2.3794 2.5386 2.5386 2.5720 2.5720 2.6322 2.6322 2.7796 2.7796 2.8448 2.8448 3.1260 3.1260 4.3782 4.3782 4.6009 4.6009 8.8738 8.8738 10.5385 10.5385 10.7677 10.7677 11.3573 11.3573 11.9109 11.9109 12.3753 12.3753 k = 0.0000 0.0000 0.8695 ( 12648 PWs) bands (ev): -16.4903 -16.4903 -16.3796 -16.3796 -16.3546 -16.3546 -16.3413 -16.3413 -13.7015 -13.7015 -13.6729 -13.6729 -2.8050 -2.8050 -2.5713 -2.5713 -1.7799 -1.7799 -1.6300 -1.6300 -1.3194 -1.3194 -1.2507 -1.2507 -1.1036 -1.1036 -0.9705 -0.9705 -0.4653 -0.4653 0.0822 0.0822 0.2979 0.2979 0.5685 0.5685 1.6008 1.6008 2.3192 2.3192 2.3835 2.3835 2.5433 2.5433 2.5829 2.5829 2.6328 2.6328 2.7917 2.7917 2.8559 2.8559 3.1370 3.1370 4.4390 4.4390 4.6224 4.6224 8.9377 8.9377 10.4935 10.4935 10.7720 10.7720 11.2974 11.2974 11.8758 11.8758 12.3636 12.3636 k = 0.0000 0.0000 0.8943 ( 12662 PWs) bands (ev): -16.4865 -16.4865 -16.3799 -16.3799 -16.3537 -16.3537 -16.3414 -16.3414 -13.7012 -13.7012 -13.6721 -13.6721 -2.8103 -2.8103 -2.5789 -2.5789 -1.7904 -1.7904 -1.6490 -1.6490 -1.3365 -1.3365 -1.2658 -1.2658 -1.1167 -1.1167 -0.9804 -0.9804 -0.4908 -0.4908 0.0869 0.0869 0.2957 0.2957 0.5637 0.5637 1.6097 1.6097 2.3412 2.3412 2.3876 2.3876 2.5474 2.5474 2.5931 2.5931 2.6336 2.6336 2.8035 2.8035 2.8668 2.8668 3.1475 3.1475 4.4968 4.4968 4.6422 4.6422 8.9991 8.9991 10.4456 10.4456 10.7755 10.7755 11.2386 11.2386 11.8408 11.8408 12.3499 12.3499 k = 0.0000 0.0000 0.9191 ( 12656 PWs) bands (ev): -16.4830 -16.4830 -16.3801 -16.3801 -16.3529 -16.3529 -16.3414 -16.3414 -13.7009 -13.7009 -13.6714 -13.6714 -2.8153 -2.8153 -2.5862 -2.5862 -1.8004 -1.8004 -1.6673 -1.6673 -1.3522 -1.3522 -1.2807 -1.2807 -1.1299 -1.1299 -0.9899 -0.9899 -0.5137 -0.5137 0.0920 0.0920 0.2938 0.2938 0.5597 0.5597 1.6181 1.6181 2.3622 2.3622 2.3922 2.3922 2.5512 2.5512 2.6023 2.6023 2.6348 2.6348 2.8147 2.8147 2.8775 2.8775 3.1576 3.1576 4.5514 4.5514 4.6604 4.6604 9.0581 9.0581 10.3957 10.3957 10.7783 10.7783 11.1815 11.1815 11.8062 11.8062 12.3357 12.3357 k = 0.0000 0.0000 0.9440 ( 12664 PWs) bands (ev): -16.4797 -16.4797 -16.3803 -16.3803 -16.3521 -16.3521 -16.3413 -16.3413 -13.7006 -13.7006 -13.6707 -13.6707 -2.8201 -2.8201 -2.5931 -2.5931 -1.8100 -1.8100 -1.6847 -1.6847 -1.3662 -1.3662 -1.2951 -1.2951 -1.1428 -1.1428 -0.9989 -0.9989 -0.5343 -0.5343 0.0971 0.0971 0.2921 0.2921 0.5566 0.5566 1.6261 1.6261 2.3802 2.3802 2.3990 2.3990 2.5546 2.5546 2.6104 2.6104 2.6364 2.6364 2.8252 2.8252 2.8880 2.8880 3.1671 3.1671 4.6025 4.6025 4.6772 4.6772 9.1146 9.1146 10.3443 10.3443 10.7804 10.7804 11.1268 11.1268 11.7727 11.7727 12.3215 12.3215 k = 0.0000 0.0000 0.9688 ( 12670 PWs) bands (ev): -16.4768 -16.4768 -16.3806 -16.3806 -16.3514 -16.3514 -16.3412 -16.3412 -13.7002 -13.7002 -13.6700 -13.6700 -2.8247 -2.8247 -2.5996 -2.5996 -1.8190 -1.8190 -1.7010 -1.7010 -1.3786 -1.3786 -1.3091 -1.3091 -1.1554 -1.1554 -1.0073 -1.0073 -0.5526 -0.5526 0.1022 0.1022 0.2907 0.2907 0.5541 0.5541 1.6335 1.6335 2.3908 2.3908 2.4121 2.4121 2.5576 2.5576 2.6171 2.6171 2.6387 2.6387 2.8349 2.8349 2.8981 2.8981 3.1759 3.1759 4.6495 4.6495 4.6929 4.6929 9.1685 9.1685 10.2923 10.2923 10.7821 10.7821 11.0750 11.0750 11.7406 11.7406 12.3079 12.3079 k = 0.0000 0.0000 0.9937 ( 12678 PWs) bands (ev): -16.4741 -16.4741 -16.3808 -16.3808 -16.3508 -16.3508 -16.3411 -16.3411 -13.6999 -13.6999 -13.6694 -13.6694 -2.8289 -2.8289 -2.6056 -2.6056 -1.8274 -1.8274 -1.7161 -1.7161 -1.3894 -1.3894 -1.3225 -1.3225 -1.1675 -1.1675 -1.0149 -1.0149 -0.5687 -0.5687 0.1071 0.1071 0.2894 0.2894 0.5522 0.5522 1.6404 1.6404 2.3958 2.3958 2.4295 2.4295 2.5602 2.5602 2.6222 2.6222 2.6420 2.6420 2.8438 2.8438 2.9079 2.9079 3.1841 3.1841 4.6896 4.6896 4.7101 4.7101 9.2200 9.2200 10.2402 10.2402 10.7833 10.7833 11.0266 11.0266 11.7103 11.7103 12.2953 12.2953 k = 0.0000 0.0000 1.0185 ( 12660 PWs) bands (ev): -16.4717 -16.4717 -16.3810 -16.3810 -16.3503 -16.3503 -16.3409 -16.3409 -13.6997 -13.6997 -13.6688 -13.6688 -2.8328 -2.8328 -2.6111 -2.6111 -1.8352 -1.8352 -1.7300 -1.7300 -1.3985 -1.3985 -1.3354 -1.3354 -1.1789 -1.1789 -1.0217 -1.0217 -0.5827 -0.5827 0.1117 0.1117 0.2883 0.2883 0.5509 0.5509 1.6467 1.6467 2.3992 2.3992 2.4468 2.4468 2.5626 2.5626 2.6256 2.6256 2.6461 2.6461 2.8517 2.8517 2.9170 2.9170 3.1916 3.1916 4.7120 4.7120 4.7395 4.7395 9.2691 9.2691 10.1887 10.1887 10.7842 10.7842 10.9821 10.9821 11.6821 11.6821 12.2838 12.2838 k = 0.0000 0.0000 1.0434 ( 12652 PWs) bands (ev): -16.4696 -16.4696 -16.3812 -16.3812 -16.3498 -16.3498 -16.3406 -16.3406 -13.6994 -13.6994 -13.6683 -13.6683 -2.8363 -2.8363 -2.6160 -2.6160 -1.8423 -1.8423 -1.7425 -1.7425 -1.4060 -1.4060 -1.3474 -1.3474 -1.1893 -1.1893 -1.0278 -1.0278 -0.5948 -0.5948 0.1160 0.1160 0.2874 0.2874 0.5499 0.5499 1.6524 1.6524 2.4019 2.4019 2.4631 2.4631 2.5646 2.5646 2.6279 2.6279 2.6506 2.6506 2.8587 2.8587 2.9256 2.9256 3.1982 3.1982 4.7241 4.7241 4.7736 4.7736 9.3157 9.3157 10.1384 10.1384 10.7848 10.7848 10.9418 10.9418 11.6565 11.6565 12.2735 12.2735 k = 0.0000 0.0000 1.0682 ( 12662 PWs) bands (ev): -16.4677 -16.4677 -16.3813 -16.3813 -16.3495 -16.3495 -16.3404 -16.3404 -13.6991 -13.6991 -13.6678 -13.6678 -2.8395 -2.8395 -2.6204 -2.6204 -1.8486 -1.8486 -1.7534 -1.7534 -1.4120 -1.4120 -1.3586 -1.3586 -1.1987 -1.1987 -1.0330 -1.0330 -0.6051 -0.6051 0.1198 0.1198 0.2866 0.2866 0.5493 0.5493 1.6574 1.6574 2.4042 2.4042 2.4777 2.4777 2.5664 2.5664 2.6294 2.6294 2.6549 2.6549 2.8647 2.8647 2.9332 2.9332 3.2041 3.2041 4.7335 4.7335 4.8045 4.8045 9.3596 9.3596 10.0901 10.0901 10.7852 10.7852 10.9061 10.9061 11.6337 11.6337 12.2645 12.2645 k = 0.0000 0.0000 1.0930 ( 12668 PWs) bands (ev): -16.4662 -16.4662 -16.3815 -16.3815 -16.3492 -16.3492 -16.3401 -16.3401 -13.6989 -13.6989 -13.6673 -13.6673 -2.8421 -2.8421 -2.6241 -2.6241 -1.8540 -1.8540 -1.7628 -1.7628 -1.4165 -1.4165 -1.3688 -1.3688 -1.2069 -1.2069 -1.0374 -1.0374 -0.6136 -0.6136 0.1231 0.1231 0.2860 0.2860 0.5489 0.5489 1.6616 1.6616 2.4060 2.4060 2.4905 2.4905 2.5679 2.5679 2.6305 2.6305 2.6589 2.6589 2.8698 2.8698 2.9400 2.9400 3.2092 3.2092 4.7412 4.7412 4.8311 4.8311 9.4006 9.4006 10.0445 10.0445 10.7855 10.7855 10.8754 10.8754 11.6139 11.6139 12.2568 12.2568 k = 0.0000 0.0000 1.1179 ( 12684 PWs) bands (ev): -16.4649 -16.4649 -16.3816 -16.3816 -16.3490 -16.3490 -16.3398 -16.3398 -13.6988 -13.6988 -13.6670 -13.6670 -2.8444 -2.8444 -2.6272 -2.6272 -1.8586 -1.8586 -1.7705 -1.7705 -1.4196 -1.4196 -1.3779 -1.3779 -1.2138 -1.2138 -1.0410 -1.0410 -0.6204 -0.6204 0.1258 0.1258 0.2854 0.2854 0.5487 0.5487 1.6652 1.6652 2.4076 2.4076 2.5012 2.5012 2.5690 2.5690 2.6313 2.6313 2.6623 2.6623 2.8740 2.8740 2.9457 2.9457 3.2133 3.2133 4.7474 4.7474 4.8532 4.8532 9.4381 9.4381 10.0027 10.0027 10.7857 10.7857 10.8499 10.8499 11.5974 11.5974 12.2505 12.2505 k = 0.0000 0.0000 1.1427 ( 12668 PWs) bands (ev): -16.4640 -16.4640 -16.3817 -16.3817 -16.3488 -16.3488 -16.3396 -16.3396 -13.6986 -13.6986 -13.6667 -13.6667 -2.8461 -2.8461 -2.6296 -2.6296 -1.8622 -1.8622 -1.7766 -1.7766 -1.4214 -1.4214 -1.3855 -1.3855 -1.2193 -1.2193 -1.0438 -1.0438 -0.6257 -0.6257 0.1279 0.1279 0.2850 0.2850 0.5486 0.5486 1.6679 1.6679 2.4088 2.4088 2.5097 2.5097 2.5699 2.5699 2.6319 2.6319 2.6649 2.6649 2.8772 2.8772 2.9503 2.9503 3.2166 3.2166 4.7522 4.7522 4.8706 4.8706 9.4708 9.4708 9.9662 9.9662 10.7858 10.7858 10.8297 10.8297 11.5844 11.5844 12.2456 12.2456 k = 0.0000 0.0000 1.1676 ( 12660 PWs) bands (ev): -16.4633 -16.4633 -16.3817 -16.3817 -16.3487 -16.3487 -16.3395 -16.3395 -13.6985 -13.6985 -13.6665 -13.6665 -2.8474 -2.8474 -2.6313 -2.6313 -1.8648 -1.8648 -1.7810 -1.7810 -1.4222 -1.4222 -1.3915 -1.3915 -1.2232 -1.2232 -1.0458 -1.0458 -0.6294 -0.6294 0.1295 0.1295 0.2847 0.2847 0.5486 0.5486 1.6699 1.6699 2.4097 2.4097 2.5159 2.5159 2.5706 2.5706 2.6323 2.6323 2.6669 2.6669 2.8795 2.8795 2.9536 2.9536 3.2190 3.2190 4.7555 4.7555 4.8831 4.8831 9.4970 9.4970 9.9371 9.9371 10.7859 10.7859 10.8151 10.8151 11.5750 11.5750 12.2420 12.2420 k = 0.0000 0.0000 1.1924 ( 12652 PWs) bands (ev): -16.4629 -16.4629 -16.3818 -16.3818 -16.3487 -16.3487 -16.3394 -16.3394 -13.6984 -13.6984 -13.6664 -13.6664 -2.8481 -2.8481 -2.6324 -2.6324 -1.8663 -1.8663 -1.7836 -1.7836 -1.4223 -1.4223 -1.3955 -1.3955 -1.2256 -1.2256 -1.0470 -1.0470 -0.6316 -0.6316 0.1304 0.1304 0.2845 0.2845 0.5486 0.5486 1.6711 1.6711 2.4102 2.4102 2.5196 2.5196 2.5710 2.5710 2.6325 2.6325 2.6681 2.6681 2.8809 2.8809 2.9556 2.9556 3.2204 3.2204 4.7576 4.7576 4.8906 4.8906 9.5144 9.5144 9.9179 9.9179 10.7861 10.7861 10.8063 10.8063 11.5693 11.5693 12.2399 12.2399 k = 0.0000 0.0000 1.2172 ( 12646 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6984 -13.6984 -13.6663 -13.6663 -2.8484 -2.8484 -2.6327 -2.6327 -1.8669 -1.8669 -1.7844 -1.7844 -1.4223 -1.4223 -1.3969 -1.3969 -1.2264 -1.2264 -1.0474 -1.0474 -0.6324 -0.6324 0.1307 0.1307 0.2845 0.2845 0.5486 0.5486 1.6715 1.6715 2.4104 2.4104 2.5209 2.5209 2.5711 2.5711 2.6326 2.6326 2.6685 2.6685 2.8813 2.8813 2.9562 2.9562 3.2209 3.2209 4.7582 4.7582 4.8931 4.8931 9.5205 9.5205 9.9111 9.9111 10.7862 10.7862 10.8032 10.8032 11.5674 11.5674 12.2392 12.2392 k = 0.0000 0.0000 1.2172 ( 12646 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6984 -13.6984 -13.6663 -13.6663 -2.8484 -2.8484 -2.6327 -2.6327 -1.8669 -1.8669 -1.7844 -1.7844 -1.4223 -1.4223 -1.3969 -1.3969 -1.2264 -1.2264 -1.0474 -1.0474 -0.6324 -0.6324 0.1307 0.1307 0.2845 0.2845 0.5486 0.5486 1.6715 1.6715 2.4104 2.4104 2.5209 2.5209 2.5711 2.5711 2.6326 2.6326 2.6685 2.6685 2.8813 2.8813 2.9562 2.9562 3.2209 3.2209 4.7582 4.7582 4.8931 4.8931 9.5205 9.5205 9.9111 9.9111 10.7862 10.7862 10.8032 10.8032 11.5674 11.5674 12.2392 12.2392 k =-0.0101 0.0225 1.2172 ( 12650 PWs) bands (ev): -16.4628 -16.4628 -16.3818 -16.3818 -16.3487 -16.3487 -16.3394 -16.3394 -13.6984 -13.6984 -13.6664 -13.6664 -2.8477 -2.8477 -2.6326 -2.6326 -1.8659 -1.8659 -1.7837 -1.7837 -1.4216 -1.4216 -1.3967 -1.3967 -1.2253 -1.2253 -1.0477 -1.0477 -0.6317 -0.6317 0.1309 0.1309 0.2843 0.2843 0.5489 0.5489 1.6716 1.6716 2.4092 2.4092 2.5205 2.5205 2.5708 2.5708 2.6324 2.6324 2.6681 2.6681 2.8809 2.8809 2.9557 2.9557 3.2203 3.2203 4.7575 4.7575 4.8906 4.8906 9.5186 9.5186 9.9129 9.9129 10.7858 10.7858 10.8059 10.8059 11.5592 11.5592 12.2516 12.2516 k =-0.0203 0.0451 1.2172 ( 12646 PWs) bands (ev): -16.4630 -16.4630 -16.3819 -16.3819 -16.3488 -16.3488 -16.3395 -16.3395 -13.6984 -13.6984 -13.6666 -13.6666 -2.8458 -2.8458 -2.6324 -2.6324 -1.8630 -1.8630 -1.7816 -1.7816 -1.4196 -1.4196 -1.3961 -1.3961 -1.2220 -1.2220 -1.0489 -1.0489 -0.6298 -0.6298 0.1315 0.1315 0.2838 0.2838 0.5496 0.5496 1.6717 1.6717 2.4056 2.4056 2.5195 2.5195 2.5700 2.5700 2.6320 2.6320 2.6670 2.6670 2.8796 2.8796 2.9541 2.9541 3.2186 3.2186 4.7553 4.7553 4.8830 4.8830 9.5129 9.5129 9.9183 9.9183 10.7852 10.7852 10.8132 10.8132 11.5367 11.5367 12.2867 12.2867 k =-0.0304 0.0676 1.2172 ( 12658 PWs) bands (ev): -16.4634 -16.4634 -16.3820 -16.3820 -16.3490 -16.3490 -16.3398 -16.3398 -13.6983 -13.6983 -13.6670 -13.6670 -2.8425 -2.8425 -2.6320 -2.6320 -1.8581 -1.8581 -1.7781 -1.7781 -1.4164 -1.4164 -1.3950 -1.3950 -1.2166 -1.2166 -1.0507 -1.0507 -0.6266 -0.6266 0.1325 0.1325 0.2829 0.2829 0.5508 0.5508 1.6720 1.6720 2.3998 2.3998 2.5178 2.5178 2.5687 2.5687 2.6313 2.6313 2.6653 2.6653 2.8774 2.8774 2.9514 2.9514 3.2158 3.2158 4.7515 4.7515 4.8705 4.8705 9.5034 9.5034 9.9272 9.9272 10.7849 10.7849 10.8246 10.8246 11.5043 11.5043 12.3396 12.3396 k =-0.0406 0.0901 1.2172 ( 12656 PWs) bands (ev): -16.4639 -16.4639 -16.3822 -16.3822 -16.3493 -16.3493 -16.3401 -16.3401 -13.6982 -13.6982 -13.6675 -13.6675 -2.8380 -2.8380 -2.6314 -2.6314 -1.8514 -1.8514 -1.7731 -1.7731 -1.4122 -1.4122 -1.3932 -1.3932 -1.2091 -1.2091 -1.0532 -1.0532 -0.6221 -0.6221 0.1338 0.1338 0.2817 0.2817 0.5525 0.5525 1.6723 1.6723 2.3917 2.3917 2.5155 2.5155 2.5670 2.5670 2.6302 2.6302 2.6628 2.6628 2.8743 2.8743 2.9477 2.9477 3.2119 3.2119 4.7463 4.7463 4.8531 4.8531 9.4898 9.4898 9.9395 9.9395 10.7850 10.7850 10.8397 10.8397 11.4672 11.4672 12.4048 12.4048 k =-0.0507 0.1126 1.2172 ( 12656 PWs) bands (ev): -16.4645 -16.4645 -16.3824 -16.3824 -16.3497 -16.3497 -16.3404 -16.3404 -13.6980 -13.6980 -13.6681 -13.6681 -2.8322 -2.8322 -2.6307 -2.6307 -1.8429 -1.8429 -1.7666 -1.7666 -1.4075 -1.4075 -1.3901 -1.3901 -1.1997 -1.1997 -1.0563 -1.0563 -0.6163 -0.6163 0.1355 0.1355 0.2802 0.2802 0.5548 0.5548 1.6728 1.6728 2.3815 2.3815 2.5127 2.5127 2.5647 2.5647 2.6289 2.6289 2.6596 2.6596 2.8702 2.8702 2.9430 2.9430 3.2069 3.2069 4.7395 4.7395 4.8309 4.8309 9.4720 9.4720 9.9551 9.9551 10.7854 10.7854 10.8587 10.8587 11.4291 11.4291 12.4775 12.4775 k =-0.0507 0.1126 1.2172 ( 12656 PWs) bands (ev): -16.4645 -16.4645 -16.3824 -16.3824 -16.3497 -16.3497 -16.3404 -16.3404 -13.6980 -13.6980 -13.6681 -13.6681 -2.8322 -2.8322 -2.6307 -2.6307 -1.8429 -1.8429 -1.7666 -1.7666 -1.4075 -1.4075 -1.3901 -1.3901 -1.1997 -1.1997 -1.0563 -1.0563 -0.6163 -0.6163 0.1355 0.1355 0.2802 0.2802 0.5548 0.5548 1.6728 1.6728 2.3815 2.3815 2.5127 2.5127 2.5647 2.5647 2.6289 2.6289 2.6596 2.6596 2.8702 2.8702 2.9430 2.9430 3.2069 3.2069 4.7395 4.7395 4.8309 4.8309 9.4720 9.4720 9.9551 9.9551 10.7854 10.7854 10.8587 10.8587 11.4291 11.4291 12.4775 12.4775 k =-0.0580 0.1287 1.1996 ( 12658 PWs) bands (ev): -16.4652 -16.4652 -16.3825 -16.3825 -16.3501 -16.3501 -16.3407 -16.3407 -13.6979 -13.6979 -13.6687 -13.6687 -2.8273 -2.8273 -2.6299 -2.6299 -1.8356 -1.8356 -1.7606 -1.7606 -1.4046 -1.4046 -1.3858 -1.3858 -1.1915 -1.1915 -1.0587 -1.0587 -0.6108 -0.6108 0.1368 0.1368 0.2788 0.2788 0.5566 0.5566 1.6729 1.6729 2.3729 2.3729 2.5098 2.5098 2.5627 2.5627 2.6278 2.6278 2.6567 2.6567 2.8666 2.8666 2.9387 2.9387 3.2025 3.2025 4.7319 4.7319 4.8124 4.8124 9.4543 9.4543 9.9710 9.9710 10.7860 10.7860 10.8757 10.8757 11.4037 11.4037 12.5312 12.5312 k =-0.0652 0.1448 1.1820 ( 12648 PWs) bands (ev): -16.4660 -16.4660 -16.3827 -16.3827 -16.3505 -16.3505 -16.3410 -16.3410 -13.6978 -13.6978 -13.6694 -13.6694 -2.8215 -2.8215 -2.6288 -2.6288 -1.8269 -1.8269 -1.7530 -1.7530 -1.4026 -1.4026 -1.3789 -1.3789 -1.1813 -1.1813 -1.0609 -1.0609 -0.6037 -0.6037 0.1379 0.1379 0.2774 0.2774 0.5588 0.5588 1.6728 1.6728 2.3632 2.3632 2.5055 2.5055 2.5601 2.5601 2.6266 2.6266 2.6530 2.6530 2.8620 2.8620 2.9333 2.9333 3.1971 3.1971 4.7174 4.7174 4.7945 4.7945 9.4307 9.4307 9.9935 9.9935 10.7870 10.7870 10.8971 10.8971 11.3814 11.3814 12.5832 12.5832 k =-0.0725 0.1609 1.1643 ( 12646 PWs) bands (ev): -16.4671 -16.4671 -16.3829 -16.3829 -16.3510 -16.3510 -16.3413 -16.3413 -13.6977 -13.6977 -13.6701 -13.6701 -2.8150 -2.8150 -2.6272 -2.6272 -1.8171 -1.8171 -1.7439 -1.7439 -1.4007 -1.4007 -1.3703 -1.3703 -1.1692 -1.1692 -1.0628 -1.0628 -0.5948 -0.5948 0.1388 0.1388 0.2758 0.2758 0.5611 0.5611 1.6723 1.6723 2.3525 2.3525 2.4998 2.4998 2.5569 2.5569 2.6255 2.6255 2.6486 2.6486 2.8567 2.8567 2.9269 2.9269 3.1909 3.1909 4.6918 4.6918 4.7814 4.7814 9.4023 9.4023 10.0215 10.0215 10.7883 10.7883 10.9228 10.9228 11.3626 11.3626 12.6283 12.6283 k =-0.0797 0.1770 1.1467 ( 12650 PWs) bands (ev): -16.4684 -16.4684 -16.3831 -16.3831 -16.3516 -16.3516 -16.3417 -16.3417 -13.6976 -13.6976 -13.6710 -13.6710 -2.8077 -2.8077 -2.6253 -2.6253 -1.8061 -1.8061 -1.7332 -1.7332 -1.3987 -1.3987 -1.3607 -1.3607 -1.1552 -1.1552 -1.0643 -1.0643 -0.5838 -0.5838 0.1396 0.1396 0.2742 0.2742 0.5638 0.5638 1.6714 1.6714 2.3408 2.3408 2.4928 2.4928 2.5531 2.5531 2.6243 2.6243 2.6437 2.6437 2.8506 2.8506 2.9193 2.9193 3.1837 3.1837 4.6549 4.6549 4.7735 4.7735 9.3702 9.3702 10.0543 10.0543 10.7898 10.7898 10.9526 10.9526 11.3475 11.3475 12.6566 12.6566 k =-0.0870 0.1930 1.1290 ( 12649 PWs) bands (ev): -16.4698 -16.4698 -16.3833 -16.3833 -16.3522 -16.3522 -16.3421 -16.3421 -13.6975 -13.6975 -13.6719 -13.6719 -2.7998 -2.7998 -2.6230 -2.6230 -1.7942 -1.7942 -1.7212 -1.7212 -1.3963 -1.3963 -1.3505 -1.3505 -1.1397 -1.1397 -1.0652 -1.0652 -0.5708 -0.5708 0.1402 0.1402 0.2724 0.2724 0.5666 0.5666 1.6702 1.6702 2.3283 2.3283 2.4847 2.4847 2.5486 2.5486 2.6224 2.6224 2.6387 2.6387 2.8437 2.8437 2.9107 2.9107 3.1759 3.1759 4.6085 4.6085 4.7690 4.7690 9.3356 9.3356 10.0909 10.0909 10.7913 10.7913 10.9862 10.9862 11.3362 11.3362 12.6533 12.6533 k =-0.0942 0.2091 1.1114 ( 12643 PWs) bands (ev): -16.4714 -16.4714 -16.3835 -16.3835 -16.3529 -16.3529 -16.3426 -16.3426 -13.6974 -13.6974 -13.6729 -13.6729 -2.7913 -2.7913 -2.6204 -2.6204 -1.7814 -1.7814 -1.7077 -1.7077 -1.3934 -1.3934 -1.3400 -1.3400 -1.1231 -1.1231 -1.0651 -1.0651 -0.5552 -0.5552 0.1405 0.1405 0.2707 0.2707 0.5697 0.5697 1.6687 1.6687 2.3151 2.3151 2.4754 2.4754 2.5435 2.5435 2.6189 2.6189 2.6349 2.6349 2.8362 2.8362 2.9011 2.9011 3.1673 3.1673 4.5545 4.5545 4.7662 4.7662 9.2993 9.2993 10.1308 10.1308 10.7929 10.7929 11.0233 11.0233 11.3287 11.3287 12.6151 12.6151 k =-0.1015 0.2252 1.0938 ( 12649 PWs) bands (ev): -16.4732 -16.4732 -16.3837 -16.3837 -16.3536 -16.3536 -16.3430 -16.3430 -13.6973 -13.6973 -13.6740 -13.6740 -2.7822 -2.7822 -2.6176 -2.6176 -1.7678 -1.7678 -1.6929 -1.6929 -1.3900 -1.3900 -1.3295 -1.3295 -1.1068 -1.1068 -1.0628 -1.0628 -0.5370 -0.5370 0.1405 0.1405 0.2691 0.2691 0.5731 0.5731 1.6669 1.6669 2.3012 2.3012 2.4650 2.4650 2.5379 2.5379 2.6126 2.6126 2.6332 2.6332 2.8281 2.8281 2.8907 2.8907 3.1580 3.1580 4.4939 4.4939 4.7643 4.7643 9.2619 9.2619 10.1734 10.1734 10.7943 10.7943 11.0634 11.0634 11.3254 11.3254 12.5556 12.5556 k =-0.1087 0.2413 1.0761 ( 12653 PWs) bands (ev): -16.4752 -16.4752 -16.3839 -16.3839 -16.3544 -16.3544 -16.3435 -16.3435 -13.6972 -13.6972 -13.6751 -13.6751 -2.7727 -2.7727 -2.6144 -2.6144 -1.7537 -1.7537 -1.6770 -1.6770 -1.3861 -1.3861 -1.3190 -1.3190 -1.0937 -1.0937 -1.0560 -1.0560 -0.5157 -0.5157 0.1402 0.1402 0.2677 0.2677 0.5767 0.5767 1.6648 1.6648 2.2868 2.2868 2.4538 2.4538 2.5319 2.5319 2.6042 2.6042 2.6332 2.6332 2.8193 2.8193 2.8793 2.8793 3.1483 3.1483 4.4272 4.4272 4.7630 4.7630 9.2241 9.2241 10.2180 10.2180 10.7955 10.7955 11.1053 11.1053 11.3269 11.3269 12.4862 12.4862 k =-0.1160 0.2574 1.0585 ( 12645 PWs) bands (ev): -16.4773 -16.4773 -16.3841 -16.3841 -16.3552 -16.3552 -16.3440 -16.3440 -13.6972 -13.6972 -13.6763 -13.6763 -2.7627 -2.7627 -2.6111 -2.6111 -1.7391 -1.7391 -1.6598 -1.6598 -1.3818 -1.3818 -1.3086 -1.3086 -1.0862 -1.0862 -1.0424 -1.0424 -0.4913 -0.4913 0.1395 0.1395 0.2667 0.2667 0.5806 0.5806 1.6624 1.6624 2.2719 2.2719 2.4416 2.4416 2.5256 2.5256 2.5943 2.5943 2.6341 2.6341 2.8099 2.8099 2.8672 2.8672 3.1380 3.1380 4.3549 4.3549 4.7621 4.7621 9.1864 9.1864 10.2643 10.2643 10.7965 10.7965 11.1473 11.1473 11.3345 11.3345 12.4130 12.4130 k =-0.1232 0.2735 1.0408 ( 12641 PWs) bands (ev): -16.4795 -16.4795 -16.3843 -16.3843 -16.3560 -16.3560 -16.3445 -16.3445 -13.6971 -13.6971 -13.6776 -13.6776 -2.7525 -2.7525 -2.6076 -2.6076 -1.7242 -1.7242 -1.6417 -1.6417 -1.3771 -1.3771 -1.2982 -1.2982 -1.0829 -1.0829 -1.0240 -1.0240 -0.4635 -0.4635 0.1383 0.1383 0.2664 0.2664 0.5848 0.5848 1.6597 1.6597 2.2566 2.2566 2.4286 2.4286 2.5192 2.5192 2.5833 2.5833 2.6355 2.6355 2.8000 2.8000 2.8543 2.8543 3.1274 3.1274 4.2773 4.2773 4.7613 4.7613 9.1492 9.1492 10.3114 10.3114 10.7971 10.7971 11.1866 11.1866 11.3507 11.3507 12.3394 12.3394 k =-0.1305 0.2896 1.0232 ( 12641 PWs) bands (ev): -16.4818 -16.4818 -16.3845 -16.3845 -16.3568 -16.3568 -16.3451 -16.3451 -13.6970 -13.6970 -13.6788 -13.6788 -2.7419 -2.7419 -2.6039 -2.6039 -1.7090 -1.7090 -1.6228 -1.6228 -1.3720 -1.3720 -1.2879 -1.2879 -1.0812 -1.0812 -1.0040 -1.0040 -0.4322 -0.4322 0.1366 0.1366 0.2673 0.2673 0.5892 0.5892 1.6568 1.6568 2.2412 2.2412 2.4149 2.4149 2.5129 2.5129 2.5716 2.5716 2.6373 2.6373 2.7895 2.7895 2.8409 2.8409 3.1165 3.1165 4.1950 4.1950 4.7607 4.7607 9.1129 9.1129 10.3586 10.3586 10.7972 10.7972 11.2194 11.2194 11.3787 11.3787 12.2677 12.2677 k =-0.1377 0.3056 1.0056 ( 12637 PWs) bands (ev): -16.4841 -16.4841 -16.3848 -16.3848 -16.3576 -16.3576 -16.3456 -16.3456 -13.6970 -13.6970 -13.6801 -13.6801 -2.7313 -2.7313 -2.6001 -2.6001 -1.6938 -1.6938 -1.6032 -1.6032 -1.3665 -1.3665 -1.2774 -1.2774 -1.0801 -1.0801 -0.9838 -0.9838 -0.3977 -0.3977 0.1342 0.1342 0.2697 0.2697 0.5939 0.5939 1.6537 1.6537 2.2256 2.2256 2.4005 2.4005 2.5067 2.5067 2.5592 2.5592 2.6394 2.6394 2.7785 2.7785 2.8269 2.8269 3.1053 3.1053 4.1082 4.1082 4.7602 4.7602 9.0776 9.0776 10.4050 10.4050 10.7967 10.7967 11.2444 11.2444 11.4201 11.4201 12.1996 12.1996 k =-0.1449 0.3217 0.9879 ( 12649 PWs) bands (ev): -16.4866 -16.4866 -16.3850 -16.3850 -16.3584 -16.3584 -16.3461 -16.3461 -13.6969 -13.6969 -13.6814 -13.6814 -2.7205 -2.7205 -2.5963 -2.5963 -1.6786 -1.6786 -1.5832 -1.5832 -1.3608 -1.3608 -1.2667 -1.2667 -1.0792 -1.0792 -0.9643 -0.9643 -0.3604 -0.3604 0.1310 0.1310 0.2746 0.2746 0.5989 0.5989 1.6504 1.6504 2.2100 2.2100 2.3855 2.3855 2.5008 2.5008 2.5464 2.5464 2.6415 2.6415 2.7669 2.7669 2.8124 2.8124 3.0941 3.0941 4.0175 4.0175 4.7598 4.7598 9.0438 9.0438 10.4493 10.4493 10.7956 10.7956 11.2638 11.2638 11.4726 11.4726 12.1367 12.1367 k =-0.1522 0.3378 0.9703 ( 12644 PWs) bands (ev): -16.4890 -16.4890 -16.3852 -16.3852 -16.3591 -16.3591 -16.3467 -16.3467 -13.6969 -13.6969 -13.6827 -13.6827 -2.7097 -2.7097 -2.5924 -2.5924 -1.6636 -1.6636 -1.5629 -1.5629 -1.3548 -1.3548 -1.2557 -1.2557 -1.0783 -1.0783 -0.9458 -0.9458 -0.3209 -0.3209 0.1268 0.1268 0.2826 0.2826 0.6041 0.6041 1.6470 1.6470 2.1944 2.1944 2.3699 2.3699 2.4952 2.4952 2.5334 2.5334 2.6436 2.6436 2.7549 2.7549 2.7975 2.7975 3.0829 3.0829 3.9234 3.9234 4.7595 4.7595 9.0114 9.0114 10.4902 10.4902 10.7938 10.7938 11.2812 11.2812 11.5330 11.5330 12.0799 12.0799 k =-0.1594 0.3539 0.9526 ( 12646 PWs) bands (ev): -16.4915 -16.4915 -16.3854 -16.3854 -16.3599 -16.3599 -16.3472 -16.3472 -13.6968 -13.6968 -13.6840 -13.6840 -2.6989 -2.6989 -2.5886 -2.5886 -1.6488 -1.6488 -1.5428 -1.5428 -1.3485 -1.3485 -1.2441 -1.2441 -1.0774 -1.0774 -0.9286 -0.9286 -0.2804 -0.2804 0.1217 0.1217 0.2949 0.2949 0.6095 0.6095 1.6435 1.6435 2.1791 2.1791 2.3538 2.3538 2.4901 2.4901 2.5204 2.5204 2.6456 2.6456 2.7423 2.7423 2.7824 2.7824 3.0718 3.0718 3.8264 3.8264 4.7592 4.7592 8.9808 8.9808 10.5260 10.5260 10.7913 10.7913 11.3000 11.3000 11.5989 11.5989 12.0301 12.0301 k =-0.1667 0.3700 0.9350 ( 12632 PWs) bands (ev): -16.4940 -16.4940 -16.3856 -16.3856 -16.3606 -16.3606 -16.3477 -16.3477 -13.6968 -13.6968 -13.6853 -13.6853 -2.6883 -2.6883 -2.5849 -2.5849 -1.6343 -1.6343 -1.5229 -1.5229 -1.3420 -1.3420 -1.2320 -1.2320 -1.0765 -1.0765 -0.9129 -0.9129 -0.2401 -0.2401 0.1156 0.1156 0.3126 0.3126 0.6152 0.6152 1.6400 1.6400 2.1640 2.1640 2.3373 2.3373 2.4856 2.4856 2.5075 2.5075 2.6473 2.6473 2.7292 2.7292 2.7671 2.7671 3.0608 3.0608 3.7271 3.7271 4.7589 4.7589 8.9520 8.9520 10.5551 10.5551 10.7881 10.7881 11.3226 11.3226 11.6687 11.6687 11.9877 11.9877 k =-0.1739 0.3861 0.9174 ( 12642 PWs) bands (ev): -16.4964 -16.4964 -16.3858 -16.3858 -16.3614 -16.3614 -16.3482 -16.3482 -13.6967 -13.6967 -13.6866 -13.6866 -2.6779 -2.6779 -2.5812 -2.5812 -1.6204 -1.6204 -1.5037 -1.5037 -1.3352 -1.3352 -1.2192 -1.2192 -1.0756 -1.0756 -0.8986 -0.8986 -0.2018 -0.2018 0.1085 0.1085 0.3371 0.3371 0.6212 0.6212 1.6364 1.6364 2.1494 2.1494 2.3204 2.3204 2.4816 2.4816 2.4949 2.4949 2.6485 2.6485 2.7155 2.7155 2.7518 2.7518 3.0500 3.0500 3.6263 3.6263 4.7587 4.7587 8.9250 8.9250 10.5763 10.5763 10.7840 10.7840 11.3512 11.3512 11.7412 11.7412 11.9529 11.9529 k =-0.1812 0.4021 0.8997 ( 12634 PWs) bands (ev): -16.4988 -16.4988 -16.3860 -16.3860 -16.3620 -16.3620 -16.3487 -16.3487 -13.6967 -13.6967 -13.6878 -13.6878 -2.6678 -2.6678 -2.5777 -2.5777 -1.6070 -1.6070 -1.4854 -1.4854 -1.3281 -1.3281 -1.2058 -1.2058 -1.0748 -1.0748 -0.8857 -0.8857 -0.1669 -0.1669 0.1007 0.1007 0.3694 0.3694 0.6274 0.6274 1.6329 1.6329 2.1352 2.1352 2.3032 2.3032 2.4780 2.4780 2.4831 2.4831 2.6488 2.6488 2.7013 2.7013 2.7367 2.7367 3.0396 3.0396 3.5250 3.5250 4.7585 4.7585 8.8999 8.8999 10.5888 10.5888 10.7793 10.7793 11.3872 11.3872 11.8146 11.8146 11.9261 11.9261 k =-0.1884 0.4182 0.8821 ( 12637 PWs) bands (ev): -16.5011 -16.5011 -16.3862 -16.3862 -16.3627 -16.3627 -16.3492 -16.3492 -13.6967 -13.6967 -13.6890 -13.6890 -2.6580 -2.6580 -2.5744 -2.5744 -1.5943 -1.5943 -1.4684 -1.4684 -1.3207 -1.3207 -1.1918 -1.1918 -1.0741 -1.0741 -0.8741 -0.8741 -0.1367 -0.1367 0.0922 0.0922 0.4101 0.4101 0.6340 0.6340 1.6295 1.6295 2.1215 2.1215 2.2856 2.2856 2.4705 2.4705 2.4765 2.4765 2.6472 2.6472 2.6865 2.6865 2.7225 2.7225 3.0295 3.0295 3.4242 3.4242 4.7583 4.7583 8.8768 8.8768 10.5928 10.5928 10.7738 10.7738 11.4310 11.4310 11.8773 11.8773 11.9181 11.9181 k =-0.1957 0.4343 0.8644 ( 12639 PWs) bands (ev): -16.5033 -16.5033 -16.3864 -16.3864 -16.3633 -16.3633 -16.3496 -16.3496 -13.6966 -13.6966 -13.6901 -13.6901 -2.6486 -2.6486 -2.5713 -2.5713 -1.5824 -1.5824 -1.4528 -1.4528 -1.3128 -1.3128 -1.1774 -1.1774 -1.0735 -1.0735 -0.8638 -0.8638 -0.1119 -0.1119 0.0833 0.0833 0.4590 0.4590 0.6414 0.6414 1.6263 1.6263 2.1085 2.1085 2.2678 2.2678 2.4598 2.4598 2.4742 2.4742 2.6420 2.6420 2.6717 2.6717 2.7101 2.7101 3.0198 3.0198 3.3255 3.3255 4.7582 4.7582 8.8556 8.8556 10.5892 10.5892 10.7679 10.7679 11.4826 11.4826 11.8790 11.8790 11.9775 11.9775 k =-0.2029 0.4504 0.8468 ( 12645 PWs) bands (ev): -16.5054 -16.5054 -16.3866 -16.3866 -16.3639 -16.3639 -16.3500 -16.3500 -13.6966 -13.6966 -13.6911 -13.6911 -2.6398 -2.6398 -2.5685 -2.5685 -1.5713 -1.5713 -1.4389 -1.4389 -1.3045 -1.3045 -1.1629 -1.1629 -1.0729 -1.0729 -0.8547 -0.8547 -0.0926 -0.0926 0.0744 0.0744 0.5143 0.5143 0.6505 0.6505 1.6233 1.6233 2.0962 2.0962 2.2497 2.2497 2.4497 2.4497 2.4727 2.4727 2.6296 2.6296 2.6589 2.6589 2.7004 2.7004 3.0104 3.0104 3.2307 3.2307 4.7581 4.7581 8.8363 8.8363 10.5795 10.5795 10.7616 10.7616 11.5407 11.5407 11.8694 11.8694 12.0534 12.0534 k =-0.2102 0.4665 0.8292 ( 12645 PWs) bands (ev): -16.5074 -16.5074 -16.3868 -16.3868 -16.3644 -16.3644 -16.3504 -16.3504 -13.6966 -13.6966 -13.6921 -13.6921 -2.6315 -2.6315 -2.5659 -2.5659 -1.5612 -1.5612 -1.4267 -1.4267 -1.2958 -1.2958 -1.1487 -1.1487 -1.0721 -1.0721 -0.8467 -0.8467 -0.0783 -0.0783 0.0656 0.0656 0.5713 0.5713 0.6650 0.6650 1.6205 1.6205 2.0845 2.0845 2.2312 2.2312 2.4404 2.4404 2.4714 2.4714 2.6084 2.6084 2.6485 2.6485 2.6939 2.6939 3.0007 3.0007 3.1425 3.1425 4.7579 4.7579 8.8190 8.8190 10.5655 10.5655 10.7551 10.7551 11.6039 11.6039 11.8631 11.8631 12.1302 12.1302 k =-0.2174 0.4826 0.8115 ( 12647 PWs) bands (ev): -16.5092 -16.5092 -16.3869 -16.3869 -16.3648 -16.3648 -16.3507 -16.3507 -13.6966 -13.6966 -13.6930 -13.6930 -2.6238 -2.6238 -2.5636 -2.5636 -1.5520 -1.5520 -1.4163 -1.4163 -1.2868 -1.2868 -1.1356 -1.1356 -1.0708 -1.0708 -0.8397 -0.8397 -0.0685 -0.0685 0.0573 0.0573 0.6159 0.6159 0.6973 0.6973 1.6181 1.6181 2.0733 2.0733 2.2122 2.2122 2.4319 2.4319 2.4699 2.4699 2.5803 2.5803 2.6388 2.6388 2.6903 2.6903 2.9891 2.9891 3.0654 3.0654 4.7578 4.7578 8.8036 8.8036 10.5489 10.5489 10.7486 10.7486 11.6693 11.6693 11.8619 11.8619 12.2058 12.2058 k =-0.2246 0.4986 0.7939 ( 12651 PWs) bands (ev): -16.5108 -16.5108 -16.3870 -16.3870 -16.3653 -16.3653 -16.3511 -16.3511 -13.6965 -13.6965 -13.6938 -13.6938 -2.6168 -2.6168 -2.5617 -2.5617 -1.5438 -1.5438 -1.4075 -1.4075 -1.2776 -1.2776 -1.1244 -1.1244 -1.0685 -1.0685 -0.8337 -0.8337 -0.0623 -0.0623 0.0497 0.0497 0.6372 0.6372 0.7561 0.7561 1.6162 1.6162 2.0626 2.0626 2.1924 2.1924 2.4241 2.4241 2.4663 2.4663 2.5481 2.5481 2.6290 2.6290 2.6886 2.6886 2.9645 2.9645 3.0128 3.0128 4.7578 4.7578 8.7901 8.7901 10.5311 10.5311 10.7423 10.7423 11.7317 11.7317 11.8694 11.8694 12.2792 12.2792 k =-0.2319 0.5147 0.7762 ( 12662 PWs) bands (ev): -16.5123 -16.5123 -16.3872 -16.3872 -16.3656 -16.3656 -16.3513 -16.3513 -13.6965 -13.6965 -13.6945 -13.6945 -2.6105 -2.6105 -2.5600 -2.5600 -1.5367 -1.5367 -1.4004 -1.4004 -1.2685 -1.2685 -1.1160 -1.1160 -1.0645 -1.0645 -0.8286 -0.8286 -0.0589 -0.0589 0.0432 0.0432 0.6474 0.6474 0.8275 0.8275 1.6147 1.6147 2.0519 2.0519 2.1716 2.1716 2.4168 2.4168 2.4556 2.4556 2.5184 2.5184 2.6195 2.6195 2.6880 2.6880 2.9195 2.9195 2.9939 2.9939 4.7577 4.7577 8.7784 8.7784 10.5134 10.5134 10.7364 10.7364 11.7788 11.7788 11.8963 11.8963 12.3488 12.3488 k =-0.2391 0.5308 0.7586 ( 12660 PWs) bands (ev): -16.5135 -16.5135 -16.3873 -16.3873 -16.3659 -16.3659 -16.3516 -16.3516 -13.6965 -13.6965 -13.6951 -13.6951 -2.6050 -2.6050 -2.5587 -2.5587 -1.5307 -1.5307 -1.3947 -1.3947 -1.2599 -1.2599 -1.1108 -1.1108 -1.0589 -1.0589 -0.8244 -0.8244 -0.0576 -0.0576 0.0378 0.0378 0.6538 0.6538 0.9015 0.9015 1.6139 1.6139 2.0403 2.0403 2.1496 2.1496 2.4076 2.4076 2.4323 2.4323 2.5022 2.5022 2.6107 2.6107 2.6879 2.6879 2.8775 2.8775 2.9857 2.9857 4.7576 4.7576 8.7686 8.7686 10.4969 10.4969 10.7311 10.7311 11.8015 11.8015 11.9497 11.9497 12.4131 12.4131 k =-0.2464 0.5469 0.7410 ( 12662 PWs) bands (ev): -16.5146 -16.5146 -16.3874 -16.3874 -16.3662 -16.3662 -16.3518 -16.3518 -13.6965 -13.6965 -13.6956 -13.6956 -2.6004 -2.6004 -2.5576 -2.5576 -1.5257 -1.5257 -1.3903 -1.3903 -1.2520 -1.2520 -1.1084 -1.1084 -1.0522 -1.0522 -0.8210 -0.8210 -0.0578 -0.0578 0.0336 0.0336 0.6583 0.6583 0.9730 0.9730 1.6138 1.6138 2.0265 2.0265 2.1273 2.1273 2.3851 2.3851 2.4146 2.4146 2.4974 2.4974 2.6028 2.6028 2.6880 2.6880 2.8451 2.8451 2.9804 2.9804 4.7576 4.7576 8.7606 8.7606 10.4825 10.4825 10.7265 10.7265 11.8102 11.8102 12.0176 12.0176 12.4693 12.4693 k =-0.2536 0.5630 0.7233 ( 12661 PWs) bands (ev): -16.5154 -16.5154 -16.3874 -16.3874 -16.3664 -16.3664 -16.3519 -16.3519 -13.6965 -13.6965 -13.6960 -13.6960 -2.5967 -2.5967 -2.5569 -2.5569 -1.5219 -1.5219 -1.3870 -1.3870 -1.2453 -1.2453 -1.1078 -1.1078 -1.0458 -1.0458 -0.8185 -0.8185 -0.0587 -0.0587 0.0305 0.0305 0.6616 0.6616 1.0377 1.0377 1.6145 1.6145 2.0089 2.0089 2.1073 2.1073 2.3547 2.3547 2.4086 2.4086 2.4968 2.4968 2.5962 2.5962 2.6883 2.6883 2.8219 2.8219 2.9766 2.9766 4.7575 4.7575 8.7544 8.7544 10.4706 10.4706 10.7228 10.7228 11.8137 11.8137 12.0888 12.0888 12.5063 12.5063 k =-0.2609 0.5791 0.7057 ( 12644 PWs) bands (ev): -16.5160 -16.5160 -16.3875 -16.3875 -16.3666 -16.3666 -16.3520 -16.3520 -13.6965 -13.6965 -13.6963 -13.6963 -2.5941 -2.5941 -2.5564 -2.5564 -1.5192 -1.5192 -1.3847 -1.3847 -1.2401 -1.2401 -1.1079 -1.1079 -1.0405 -1.0405 -0.8166 -0.8166 -0.0598 -0.0598 0.0284 0.0284 0.6640 0.6640 1.0903 1.0903 1.6158 1.6158 1.9884 1.9884 2.0927 2.0927 2.3308 2.3308 2.4054 2.4054 2.4973 2.4973 2.5912 2.5912 2.6885 2.6885 2.8064 2.8064 2.9739 2.9739 4.7575 4.7575 8.7500 8.7500 10.4619 10.4619 10.7200 10.7200 11.8154 11.8154 12.1564 12.1564 12.4857 12.4857 k =-0.2681 0.5951 0.6880 ( 12638 PWs) bands (ev): -16.5163 -16.5163 -16.3875 -16.3875 -16.3666 -16.3666 -16.3521 -16.3521 -13.6965 -13.6965 -13.6965 -13.6965 -2.5924 -2.5924 -2.5561 -2.5561 -1.5175 -1.5175 -1.3834 -1.3834 -1.2369 -1.2369 -1.1083 -1.1083 -1.0371 -1.0371 -0.8156 -0.8156 -0.0606 -0.0606 0.0272 0.0272 0.6653 0.6653 1.1253 1.1253 1.6172 1.6172 1.9710 1.9710 2.0844 2.0844 2.3164 2.3164 2.4036 2.4036 2.4980 2.4980 2.5880 2.5880 2.6886 2.6886 2.7975 2.7975 2.9724 2.9724 4.7575 4.7575 8.7473 8.7473 10.4565 10.4565 10.7183 10.7183 11.8161 11.8161 12.2117 12.2117 12.4492 12.4492 k =-0.2754 0.6112 0.6704 ( 12630 PWs) bands (ev): -16.5164 -16.5164 -16.3875 -16.3875 -16.3667 -16.3667 -16.3521 -16.3521 -13.6966 -13.6966 -13.6965 -13.6965 -2.5919 -2.5919 -2.5560 -2.5560 -1.5170 -1.5170 -1.3829 -1.3829 -1.2358 -1.2358 -1.1085 -1.1085 -1.0360 -1.0360 -0.8152 -0.8152 -0.0609 -0.0609 0.0268 0.0268 0.6658 0.6658 1.1376 1.1376 1.6178 1.6178 1.9640 1.9640 2.0818 2.0818 2.3116 2.3116 2.4031 2.4031 2.4983 2.4983 2.5869 2.5869 2.6887 2.6887 2.7947 2.7947 2.9719 2.9719 4.7575 4.7575 8.7464 8.7464 10.4547 10.4547 10.7178 10.7178 11.8163 11.8163 12.2357 12.2357 12.4312 12.4312 k =-0.2754 0.6112 0.6704 ( 12630 PWs) bands (ev): -16.5164 -16.5164 -16.3875 -16.3875 -16.3667 -16.3667 -16.3521 -16.3521 -13.6966 -13.6966 -13.6965 -13.6965 -2.5919 -2.5919 -2.5560 -2.5560 -1.5170 -1.5170 -1.3829 -1.3829 -1.2358 -1.2358 -1.1085 -1.1085 -1.0360 -1.0360 -0.8152 -0.8152 -0.0609 -0.0609 0.0268 0.0268 0.6658 0.6658 1.1376 1.1376 1.6178 1.6178 1.9640 1.9640 2.0818 2.0818 2.3116 2.3116 2.4031 2.4031 2.4983 2.4983 2.5869 2.5869 2.6887 2.6887 2.7947 2.7947 2.9719 2.9719 4.7575 4.7575 8.7464 8.7464 10.4547 10.4547 10.7178 10.7178 11.8163 11.8163 12.2357 12.2357 12.4312 12.4312 k =-0.2681 0.5951 0.6527 ( 12634 PWs) bands (ev): -16.5161 -16.5161 -16.3866 -16.3866 -16.3656 -16.3656 -16.3532 -16.3532 -13.6975 -13.6975 -13.6959 -13.6959 -2.6009 -2.6009 -2.5504 -2.5504 -1.5213 -1.5213 -1.3947 -1.3947 -1.2323 -1.2323 -1.1012 -1.1012 -1.0374 -1.0374 -0.8193 -0.8193 -0.0638 -0.0638 0.0305 0.0305 0.6644 0.6644 1.1355 1.1355 1.6078 1.6078 1.9622 1.9622 2.0765 2.0765 2.3087 2.3087 2.4062 2.4062 2.4967 2.4967 2.5884 2.5884 2.6952 2.6952 2.7964 2.7964 2.9762 2.9762 4.7717 4.7717 8.7697 8.7697 10.4372 10.4372 10.7221 10.7221 11.8530 11.8530 12.2561 12.2561 12.4365 12.4365 k =-0.2609 0.5791 0.6351 ( 12634 PWs) bands (ev): -16.5162 -16.5162 -16.3857 -16.3857 -16.3644 -16.3644 -16.3542 -16.3542 -13.6985 -13.6985 -13.6952 -13.6952 -2.6096 -2.6096 -2.5446 -2.5446 -1.5247 -1.5247 -1.4044 -1.4044 -1.2281 -1.2281 -1.0942 -1.0942 -1.0389 -1.0389 -0.8227 -0.8227 -0.0650 -0.0650 0.0351 0.0351 0.6641 0.6641 1.1337 1.1337 1.5976 1.5976 1.9601 1.9601 2.0726 2.0726 2.3063 2.3063 2.4089 2.4089 2.4939 2.4939 2.5905 2.5905 2.7014 2.7014 2.7980 2.7980 2.9793 2.9793 4.7814 4.7814 8.7837 8.7837 10.4192 10.4192 10.7234 10.7234 11.8883 11.8883 12.2821 12.2821 12.4420 12.4420 k =-0.2536 0.5630 0.6175 ( 12638 PWs) bands (ev): -16.5168 -16.5168 -16.3848 -16.3848 -16.3632 -16.3632 -16.3552 -16.3552 -13.6994 -13.6994 -13.6945 -13.6945 -2.6180 -2.6180 -2.5386 -2.5386 -1.5273 -1.5273 -1.4117 -1.4117 -1.2233 -1.2233 -1.0877 -1.0877 -1.0405 -1.0405 -0.8256 -0.8256 -0.0643 -0.0643 0.0404 0.0404 0.6649 0.6649 1.1321 1.1321 1.5874 1.5874 1.9578 1.9578 2.0700 2.0700 2.3045 2.3045 2.4110 2.4110 2.4902 2.4902 2.5930 2.5930 2.7072 2.7072 2.7994 2.7994 2.9812 2.9812 4.7868 4.7868 8.7877 8.7877 10.4017 10.4017 10.7218 10.7218 11.9216 11.9216 12.3126 12.3126 12.4490 12.4490 k =-0.2464 0.5469 0.5998 ( 12622 PWs) bands (ev): -16.5179 -16.5179 -16.3839 -16.3839 -16.3619 -16.3619 -16.3561 -16.3561 -13.7002 -13.7002 -13.6938 -13.6938 -2.6260 -2.6260 -2.5326 -2.5326 -1.5292 -1.5292 -1.4162 -1.4162 -1.2181 -1.2181 -1.0816 -1.0816 -1.0421 -1.0421 -0.8277 -0.8277 -0.0619 -0.0619 0.0463 0.0463 0.6668 0.6668 1.1309 1.1309 1.5772 1.5772 1.9552 1.9552 2.0689 2.0689 2.3032 2.3032 2.4126 2.4126 2.4858 2.4858 2.5955 2.5955 2.7127 2.7127 2.8005 2.8005 2.9818 2.9818 4.7878 4.7878 8.7814 8.7814 10.3859 10.3859 10.7176 10.7176 11.9522 11.9522 12.3450 12.3450 12.4599 12.4599 k =-0.2391 0.5308 0.5822 ( 12628 PWs) bands (ev): -16.5195 -16.5195 -16.3831 -16.3831 -16.3607 -16.3607 -16.3568 -16.3568 -13.7009 -13.7009 -13.6931 -13.6931 -2.6337 -2.6337 -2.5264 -2.5264 -1.5306 -1.5306 -1.4176 -1.4176 -1.2125 -1.2125 -1.0763 -1.0763 -1.0435 -1.0435 -0.8290 -0.8290 -0.0578 -0.0578 0.0528 0.0528 0.6698 0.6698 1.1300 1.1300 1.5669 1.5669 1.9526 1.9526 2.0691 2.0691 2.3026 2.3026 2.4138 2.4138 2.4810 2.4810 2.5980 2.5980 2.7179 2.7179 2.8015 2.8015 2.9812 2.9812 4.7844 4.7844 8.7644 8.7644 10.3729 10.3729 10.7109 10.7109 11.9797 11.9797 12.3742 12.3742 12.4782 12.4782 k =-0.2319 0.5147 0.5645 ( 12626 PWs) bands (ev): -16.5215 -16.5215 -16.3824 -16.3824 -16.3600 -16.3600 -16.3571 -16.3571 -13.7015 -13.7015 -13.6924 -13.6924 -2.6410 -2.6410 -2.5202 -2.5202 -1.5319 -1.5319 -1.4157 -1.4157 -1.2067 -1.2067 -1.0722 -1.0722 -1.0442 -1.0442 -0.8296 -0.8296 -0.0520 -0.0520 0.0600 0.0600 0.6738 0.6738 1.1295 1.1295 1.5567 1.5567 1.9500 1.9500 2.0704 2.0704 2.3025 2.3025 2.4145 2.4145 2.4758 2.4758 2.6002 2.6002 2.7227 2.7227 2.8023 2.8023 2.9793 2.9793 4.7767 4.7767 8.7369 8.7369 10.3632 10.3632 10.7021 10.7021 12.0039 12.0039 12.3953 12.3953 12.4928 12.4928 k =-0.2246 0.4986 0.5469 ( 12634 PWs) bands (ev): -16.5239 -16.5239 -16.3816 -16.3816 -16.3601 -16.3601 -16.3564 -16.3564 -13.7020 -13.7020 -13.6917 -13.6917 -2.6479 -2.6479 -2.5138 -2.5138 -1.5333 -1.5333 -1.4101 -1.4101 -1.2008 -1.2008 -1.0701 -1.0701 -1.0433 -1.0433 -0.8294 -0.8294 -0.0445 -0.0445 0.0677 0.0677 0.6789 0.6789 1.1294 1.1294 1.5465 1.5465 1.9474 1.9474 2.0730 2.0730 2.3030 2.3030 2.4147 2.4147 2.4705 2.4705 2.6020 2.6020 2.7269 2.7269 2.8030 2.8030 2.9764 2.9764 4.7646 4.7646 8.6993 8.6993 10.3573 10.3573 10.6912 10.6912 12.0246 12.0246 12.4083 12.4083 12.4792 12.4792 k =-0.2174 0.4825 0.5293 ( 12659 PWs) bands (ev): -16.5268 -16.5268 -16.3810 -16.3810 -16.3608 -16.3608 -16.3551 -16.3551 -13.7025 -13.7025 -13.6910 -13.6910 -2.6544 -2.6544 -2.5073 -2.5073 -1.5349 -1.5349 -1.4010 -1.4010 -1.1948 -1.1948 -1.0704 -1.0704 -1.0404 -1.0404 -0.8284 -0.8284 -0.0353 -0.0353 0.0759 0.0759 0.6848 0.6848 1.1296 1.1296 1.5364 1.5364 1.9450 1.9450 2.0766 2.0766 2.3041 2.3041 2.4145 2.4145 2.4650 2.4650 2.6034 2.6034 2.7306 2.7306 2.8035 2.8035 2.9723 2.9723 4.7482 4.7482 8.6522 8.6522 10.3553 10.3553 10.6784 10.6784 12.0419 12.0419 12.4168 12.4168 12.4632 12.4632 k =-0.2102 0.4665 0.5116 ( 12669 PWs) bands (ev): -16.5300 -16.5300 -16.3804 -16.3804 -16.3616 -16.3616 -16.3537 -16.3537 -13.7028 -13.7028 -13.6903 -13.6903 -2.6605 -2.6605 -2.5008 -2.5008 -1.5367 -1.5367 -1.3886 -1.3886 -1.1888 -1.1888 -1.0725 -1.0725 -1.0358 -1.0358 -0.8266 -0.8266 -0.0245 -0.0245 0.0846 0.0846 0.6918 0.6918 1.1301 1.1301 1.5264 1.5264 1.9428 1.9428 2.0813 2.0813 2.3057 2.3057 2.4139 2.4139 2.4594 2.4594 2.6042 2.6042 2.7337 2.7337 2.8039 2.8039 2.9675 2.9675 4.7274 4.7274 8.5968 8.5968 10.3571 10.3571 10.6640 10.6640 12.0558 12.0558 12.4233 12.4233 12.4470 12.4470 k =-0.2029 0.4504 0.4940 ( 12659 PWs) bands (ev): -16.5335 -16.5335 -16.3798 -16.3798 -16.3624 -16.3624 -16.3522 -16.3522 -13.7031 -13.7031 -13.6896 -13.6896 -2.6661 -2.6661 -2.4942 -2.4942 -1.5386 -1.5386 -1.3731 -1.3731 -1.1829 -1.1829 -1.0755 -1.0755 -1.0300 -1.0300 -0.8241 -0.8241 -0.0121 -0.0121 0.0938 0.0938 0.6996 0.6996 1.1309 1.1309 1.5166 1.5166 1.9408 1.9408 2.0870 2.0870 2.3079 2.3079 2.4130 2.4130 2.4538 2.4538 2.6044 2.6044 2.7362 2.7362 2.8041 2.8041 2.9619 2.9619 4.7022 4.7022 8.5340 8.5340 10.3623 10.3623 10.6482 10.6482 12.0664 12.0664 12.4278 12.4278 12.4321 12.4321 k =-0.1957 0.4343 0.4763 ( 12665 PWs) bands (ev): -16.5373 -16.5373 -16.3793 -16.3793 -16.3632 -16.3632 -16.3508 -16.3508 -13.7033 -13.7033 -13.6889 -13.6889 -2.6714 -2.6714 -2.4877 -2.4877 -1.5405 -1.5405 -1.3550 -1.3550 -1.1771 -1.1771 -1.0788 -1.0788 -1.0235 -1.0235 -0.8209 -0.8209 0.0020 0.0020 0.1034 0.1034 0.7083 0.7083 1.1320 1.1320 1.5068 1.5068 1.9390 1.9390 2.0936 2.0936 2.3106 2.3106 2.4118 2.4118 2.4482 2.4482 2.6040 2.6040 2.7380 2.7380 2.8039 2.8039 2.9560 2.9560 4.6726 4.6726 8.4652 8.4652 10.3704 10.3704 10.6310 10.6310 12.0738 12.0738 12.4137 12.4137 12.4354 12.4354 k =-0.1884 0.4182 0.4587 ( 12667 PWs) bands (ev): -16.5414 -16.5414 -16.3789 -16.3789 -16.3641 -16.3641 -16.3493 -16.3493 -13.7034 -13.7034 -13.6882 -13.6882 -2.6762 -2.6762 -2.4811 -2.4811 -1.5423 -1.5423 -1.3350 -1.3350 -1.1718 -1.1718 -1.0816 -1.0816 -1.0163 -1.0163 -0.8170 -0.8170 0.0177 0.0177 0.1135 0.1135 0.7178 0.7178 1.1334 1.1334 1.4972 1.4972 1.9374 1.9374 2.1012 2.1012 2.3138 2.3138 2.4103 2.4103 2.4425 2.4425 2.6029 2.6029 2.7392 2.7392 2.8030 2.8030 2.9501 2.9501 4.6387 4.6387 8.3914 8.3914 10.3809 10.3809 10.6126 10.6126 12.0780 12.0780 12.3965 12.3965 12.4408 12.4408 k =-0.1812 0.4021 0.4410 ( 12669 PWs) bands (ev): -16.5456 -16.5456 -16.3785 -16.3785 -16.3649 -16.3649 -16.3479 -16.3479 -13.7034 -13.7034 -13.6875 -13.6875 -2.6807 -2.6807 -2.4745 -2.4745 -1.5439 -1.5439 -1.3136 -1.3136 -1.1670 -1.1670 -1.0835 -1.0835 -1.0085 -1.0085 -0.8124 -0.8124 0.0351 0.0351 0.1240 0.1240 0.7281 0.7281 1.1349 1.1349 1.4879 1.4879 1.9360 1.9360 2.1096 2.1096 2.3173 2.3173 2.4086 2.4086 2.4368 2.4368 2.6011 2.6011 2.7398 2.7398 2.8012 2.8012 2.9445 2.9445 4.6004 4.6004 8.3139 8.3139 10.3933 10.3933 10.5932 10.5932 12.0792 12.0792 12.3764 12.3764 12.4333 12.4333 k =-0.1739 0.3860 0.4234 ( 12661 PWs) bands (ev): -16.5501 -16.5501 -16.3782 -16.3782 -16.3657 -16.3657 -16.3466 -16.3466 -13.7034 -13.7034 -13.6869 -13.6869 -2.6848 -2.6848 -2.4680 -2.4680 -1.5454 -1.5454 -1.2917 -1.2917 -1.1629 -1.1629 -1.0840 -1.0840 -1.0000 -1.0000 -0.8070 -0.8070 0.0541 0.0541 0.1350 0.1350 0.7391 0.7391 1.1366 1.1366 1.4787 1.4787 1.9346 1.9346 2.1190 2.1190 2.3213 2.3213 2.4066 2.4066 2.4309 2.4309 2.5986 2.5986 2.7400 2.7400 2.7981 2.7981 2.9397 2.9397 4.5577 4.5577 8.2338 8.2338 10.4070 10.4070 10.5729 10.5729 12.0773 12.0773 12.3459 12.3459 12.3978 12.3978 k =-0.1667 0.3700 0.4058 ( 12693 PWs) bands (ev): -16.5547 -16.5547 -16.3780 -16.3780 -16.3664 -16.3664 -16.3453 -16.3453 -13.7033 -13.7033 -13.6862 -13.6862 -2.6885 -2.6885 -2.4615 -2.4615 -1.5467 -1.5467 -1.2704 -1.2704 -1.1592 -1.1592 -1.0826 -1.0826 -0.9907 -0.9907 -0.8005 -0.8005 0.0747 0.0747 0.1467 0.1467 0.7509 0.7509 1.1383 1.1383 1.4697 1.4697 1.9333 1.9333 2.1292 2.1292 2.3254 2.3254 2.4045 2.4045 2.4251 2.4251 2.5955 2.5955 2.7397 2.7397 2.7934 2.7934 2.9361 2.9361 4.5108 4.5108 8.1521 8.1521 10.4215 10.4215 10.5518 10.5518 12.0723 12.0723 12.2952 12.2952 12.3723 12.3723 k =-0.1594 0.3539 0.3881 ( 12681 PWs) bands (ev): -16.5594 -16.5594 -16.3778 -16.3778 -16.3672 -16.3672 -16.3441 -16.3441 -13.7031 -13.7031 -13.6856 -13.6856 -2.6919 -2.6919 -2.4552 -2.4552 -1.5477 -1.5477 -1.2508 -1.2508 -1.1557 -1.1557 -1.0793 -1.0793 -0.9805 -0.9805 -0.7929 -0.7929 0.0966 0.0966 0.1592 0.1592 0.7632 0.7632 1.1401 1.1401 1.4609 1.4609 1.9320 1.9320 2.1402 2.1402 2.3297 2.3297 2.4024 2.4024 2.4191 2.4191 2.5918 2.5918 2.7391 2.7391 2.7870 2.7870 2.9338 2.9338 4.4597 4.4597 8.0696 8.0696 10.4362 10.4362 10.5301 10.5301 12.0639 12.0639 12.2289 12.2289 12.3545 12.3545 k =-0.1522 0.3378 0.3705 ( 12677 PWs) bands (ev): -16.5641 -16.5641 -16.3776 -16.3776 -16.3679 -16.3679 -16.3429 -16.3429 -13.7029 -13.7029 -13.6849 -13.6849 -2.6949 -2.6949 -2.4490 -2.4490 -1.5486 -1.5486 -1.2344 -1.2344 -1.1512 -1.1512 -1.0743 -1.0743 -0.9694 -0.9694 -0.7836 -0.7836 0.1194 0.1194 0.1731 0.1731 0.7762 0.7762 1.1419 1.1419 1.4523 1.4523 1.9305 1.9305 2.1520 2.1520 2.3340 2.3340 2.4002 2.4002 2.4129 2.4129 2.5876 2.5876 2.7379 2.7379 2.7790 2.7790 2.9330 2.9330 4.4045 4.4045 7.9873 7.9873 10.4507 10.4507 10.5079 10.5079 12.0514 12.0514 12.1531 12.1531 12.3396 12.3396 k =-0.1449 0.3217 0.3528 ( 12691 PWs) bands (ev): -16.5689 -16.5689 -16.3775 -16.3775 -16.3687 -16.3687 -16.3419 -16.3419 -13.7026 -13.7026 -13.6843 -13.6843 -2.6976 -2.6976 -2.4429 -2.4429 -1.5493 -1.5493 -1.2225 -1.2225 -1.1450 -1.1450 -1.0680 -1.0680 -0.9576 -0.9576 -0.7724 -0.7724 0.1420 0.1420 0.1898 0.1898 0.7897 0.7897 1.1435 1.1435 1.4440 1.4440 1.9288 1.9288 2.1644 2.1644 2.3381 2.3381 2.3981 2.3981 2.4067 2.4067 2.5830 2.5830 2.7360 2.7360 2.7700 2.7700 2.9336 2.9336 4.3454 4.3454 7.9059 7.9059 10.4636 10.4636 10.4862 10.4862 12.0334 12.0334 12.0717 12.0717 12.3260 12.3260 k =-0.1377 0.3056 0.3352 ( 12687 PWs) bands (ev): -16.5737 -16.5737 -16.3774 -16.3774 -16.3694 -16.3694 -16.3409 -16.3409 -13.7023 -13.7023 -13.6837 -13.6837 -2.7000 -2.7000 -2.4370 -2.4370 -1.5498 -1.5498 -1.2153 -1.2153 -1.1366 -1.1366 -1.0609 -1.0609 -0.9452 -0.9452 -0.7585 -0.7585 0.1626 0.1626 0.2110 0.2110 0.8036 0.8036 1.1451 1.1451 1.4359 1.4359 1.9268 1.9268 2.1775 2.1775 2.3418 2.3418 2.3962 2.3962 2.4004 2.4004 2.5781 2.5781 2.7325 2.7325 2.7608 2.7608 2.9353 2.9353 4.2827 4.2827 7.8259 7.8259 10.4587 10.4587 10.4809 10.4809 11.9831 11.9831 12.0126 12.0126 12.3128 12.3129 k =-0.1304 0.2895 0.3176 ( 12699 PWs) bands (ev): -16.5785 -16.5785 -16.3774 -16.3774 -16.3700 -16.3700 -16.3400 -16.3400 -13.7020 -13.7020 -13.6832 -13.6832 -2.7021 -2.7021 -2.4312 -2.4312 -1.5503 -1.5503 -1.2120 -1.2120 -1.1267 -1.1267 -1.0537 -1.0537 -0.9331 -0.9331 -0.7417 -0.7417 0.1800 0.1800 0.2382 0.2382 0.8180 0.8180 1.1465 1.1465 1.4280 1.4280 1.9243 1.9243 2.1912 2.1912 2.3448 2.3448 2.3930 2.3930 2.3958 2.3958 2.5730 2.5730 2.7265 2.7265 2.7531 2.7531 2.9380 2.9380 4.2167 4.2167 7.7480 7.7480 10.4363 10.4363 10.4916 10.4916 11.8974 11.8974 11.9783 11.9783 12.2612 12.2612 k =-0.1232 0.2734 0.2999 ( 12703 PWs) bands (ev): -16.5832 -16.5832 -16.3774 -16.3774 -16.3707 -16.3707 -16.3392 -16.3392 -13.7016 -13.7016 -13.6826 -13.6826 -2.7039 -2.7039 -2.4257 -2.4257 -1.5506 -1.5506 -1.2111 -1.2111 -1.1162 -1.1162 -1.0466 -1.0466 -0.9219 -0.9219 -0.7215 -0.7215 0.1946 0.1946 0.2708 0.2708 0.8328 0.8328 1.1478 1.1478 1.4203 1.4203 1.9211 1.9211 2.2052 2.2052 2.3465 2.3465 2.3870 2.3870 2.3947 2.3947 2.5678 2.5678 2.7172 2.7172 2.7478 2.7478 2.9414 2.9414 4.1477 4.1477 7.6727 7.6727 10.4127 10.4127 10.5017 10.5017 11.8114 11.8114 11.9331 11.9331 12.2020 12.2020 k =-0.1159 0.2574 0.2823 ( 12691 PWs) bands (ev): -16.5878 -16.5878 -16.3774 -16.3774 -16.3713 -16.3713 -16.3385 -16.3385 -13.7012 -13.7012 -13.6821 -13.6821 -2.7056 -2.7056 -2.4205 -2.4205 -1.5510 -1.5510 -1.2116 -1.2116 -1.1058 -1.1058 -1.0401 -1.0401 -0.9122 -0.9122 -0.6982 -0.6982 0.2077 0.2077 0.3081 0.3081 0.8478 0.8478 1.1488 1.1488 1.4129 1.4129 1.9170 1.9170 2.2194 2.2194 2.3468 2.3468 2.3809 2.3809 2.3949 2.3949 2.5626 2.5626 2.7058 2.7058 2.7443 2.7443 2.9453 2.9453 4.0761 4.0761 7.6002 7.6002 10.3888 10.3888 10.5100 10.5100 11.7274 11.7274 11.8766 11.8766 12.1568 12.1568 k =-0.1087 0.2413 0.2646 ( 12705 PWs) bands (ev): -16.5923 -16.5923 -16.3775 -16.3775 -16.3720 -16.3720 -16.3378 -16.3378 -13.7007 -13.7007 -13.6816 -13.6816 -2.7070 -2.7070 -2.4154 -2.4154 -1.5513 -1.5513 -1.2128 -1.2128 -1.0959 -1.0959 -1.0341 -1.0341 -0.9043 -0.9043 -0.6722 -0.6722 0.2197 0.2197 0.3494 0.3494 0.8630 0.8630 1.1497 1.1497 1.4056 1.4056 1.9120 1.9120 2.2337 2.2337 2.3451 2.3451 2.3753 2.3753 2.3959 2.3959 2.5575 2.5575 2.6936 2.6936 2.7414 2.7414 2.9496 2.9496 4.0026 4.0026 7.5311 7.5311 10.3648 10.3648 10.5163 10.5163 11.6465 11.6465 11.8124 11.8124 12.1233 12.1233 k =-0.1015 0.2252 0.2470 ( 12697 PWs) bands (ev): -16.5967 -16.5967 -16.3775 -16.3775 -16.3725 -16.3725 -16.3372 -16.3372 -13.7003 -13.7003 -13.6812 -13.6812 -2.7082 -2.7082 -2.4106 -2.4106 -1.5517 -1.5517 -1.2141 -1.2141 -1.0864 -1.0864 -1.0287 -1.0287 -0.8982 -0.8982 -0.6443 -0.6443 0.2311 0.2311 0.3944 0.3944 0.8784 0.8784 1.1504 1.1504 1.3986 1.3986 1.9056 1.9056 2.2478 2.2478 2.3415 2.3415 2.3705 2.3705 2.3976 2.3976 2.5524 2.5524 2.6816 2.6816 2.7387 2.7387 2.9539 2.9539 3.9276 3.9276 7.4656 7.4656 10.3409 10.3409 10.5204 10.5204 11.5695 11.5695 11.7451 11.7451 12.0979 12.0979 k =-0.0942 0.2091 0.2293 ( 12699 PWs) bands (ev): -16.6008 -16.6008 -16.3776 -16.3776 -16.3731 -16.3731 -16.3367 -16.3367 -13.6999 -13.6999 -13.6807 -13.6807 -2.7092 -2.7092 -2.4062 -2.4062 -1.5521 -1.5521 -1.2154 -1.2154 -1.0776 -1.0776 -1.0238 -1.0238 -0.8939 -0.8939 -0.6153 -0.6153 0.2419 0.2419 0.4430 0.4430 0.8937 0.8937 1.1510 1.1510 1.3917 1.3917 1.8976 1.8976 2.2614 2.2614 2.3363 2.3363 2.3665 2.3665 2.3998 2.3998 2.5476 2.5476 2.6703 2.6703 2.7356 2.7356 2.9584 2.9584 3.8520 3.8520 7.4038 7.4038 10.3172 10.3172 10.5221 10.5221 11.4971 11.4971 11.6787 11.6787 12.0775 12.0775 k =-0.0870 0.1930 0.2117 ( 12691 PWs) bands (ev): -16.6048 -16.6048 -16.3777 -16.3777 -16.3737 -16.3737 -16.3363 -16.3363 -13.6994 -13.6994 -13.6803 -13.6803 -2.7100 -2.7100 -2.4020 -2.4020 -1.5525 -1.5525 -1.2165 -1.2165 -1.0693 -1.0693 -1.0192 -1.0192 -0.8910 -0.8910 -0.5863 -0.5863 0.2522 0.2522 0.4950 0.4950 0.9090 0.9090 1.1516 1.1516 1.3851 1.3851 1.8877 1.8877 2.2740 2.2740 2.3298 2.3298 2.3631 2.3631 2.4023 2.4023 2.5432 2.5432 2.6602 2.6602 2.7321 2.7321 2.9627 2.9627 3.7764 3.7764 7.3461 7.3461 10.2940 10.2940 10.5213 10.5213 11.4296 11.4296 11.6154 11.6154 12.0605 12.0605 k =-0.0797 0.1769 0.1941 ( 12697 PWs) bands (ev): -16.6085 -16.6085 -16.3778 -16.3778 -16.3742 -16.3742 -16.3359 -16.3359 -13.6990 -13.6990 -13.6799 -13.6799 -2.7108 -2.7108 -2.3981 -2.3981 -1.5530 -1.5530 -1.2173 -1.2173 -1.0617 -1.0617 -1.0150 -1.0150 -0.8893 -0.8893 -0.5579 -0.5579 0.2620 0.2620 0.5501 0.5501 0.9241 0.9241 1.1524 1.1524 1.3787 1.3787 1.8755 1.8755 2.2853 2.2853 2.3226 2.3226 2.3602 2.3602 2.4051 2.4051 2.5394 2.5394 2.6516 2.6516 2.7279 2.7279 2.9669 2.9669 3.7019 3.7019 7.2926 7.2926 10.2714 10.2714 10.5183 10.5183 11.3674 11.3674 11.5568 11.5568 12.0458 12.0458 k =-0.0725 0.1608 0.1764 ( 12697 PWs) bands (ev): -16.6120 -16.6120 -16.3779 -16.3779 -16.3747 -16.3747 -16.3355 -16.3355 -13.6986 -13.6986 -13.6796 -13.6796 -2.7113 -2.7113 -2.3945 -2.3945 -1.5535 -1.5535 -1.2178 -1.2178 -1.0549 -1.0549 -1.0108 -1.0108 -0.8887 -0.8887 -0.5307 -0.5307 0.2713 0.2713 0.6078 0.6078 0.9390 0.9390 1.1535 1.1535 1.3725 1.3725 1.8607 1.8607 2.2946 2.2946 2.3153 2.3153 2.3575 2.3575 2.4082 2.4082 2.5367 2.5367 2.6445 2.6445 2.7228 2.7228 2.9709 2.9709 3.6293 3.6293 7.2433 7.2433 10.2495 10.2495 10.5131 10.5131 11.3107 11.3107 11.5036 11.5036 12.0328 12.0328 k =-0.0652 0.1448 0.1588 ( 12677 PWs) bands (ev): -16.6152 -16.6152 -16.3779 -16.3779 -16.3751 -16.3751 -16.3352 -16.3352 -13.6982 -13.6982 -13.6792 -13.6792 -2.7118 -2.7118 -2.3912 -2.3912 -1.5541 -1.5541 -1.2180 -1.2180 -1.0487 -1.0487 -1.0067 -1.0067 -0.8890 -0.8890 -0.5054 -0.5054 0.2799 0.2799 0.6674 0.6674 0.9534 0.9534 1.1553 1.1553 1.3665 1.3665 1.8427 1.8427 2.3009 2.3009 2.3088 2.3088 2.3546 2.3546 2.4121 2.4121 2.5352 2.5352 2.6390 2.6390 2.7168 2.7168 2.9746 2.9746 3.5597 3.5597 7.1985 7.1985 10.2288 10.2288 10.5061 10.5061 11.2596 11.2596 11.4563 11.4563 12.0213 12.0213 k =-0.0580 0.1287 0.1411 ( 12669 PWs) bands (ev): -16.6181 -16.6181 -16.3780 -16.3780 -16.3755 -16.3755 -16.3350 -16.3350 -13.6978 -13.6978 -13.6790 -13.6790 -2.7122 -2.7122 -2.3883 -2.3883 -1.5547 -1.5547 -1.2180 -1.2180 -1.0435 -1.0435 -1.0025 -1.0025 -0.8900 -0.8900 -0.4821 -0.4821 0.2879 0.2879 0.7281 0.7281 0.9673 0.9673 1.1583 1.1583 1.3608 1.3608 1.8211 1.8211 2.2990 2.2990 2.3085 2.3085 2.3513 2.3513 2.4171 2.4171 2.5354 2.5354 2.6348 2.6348 2.7097 2.7097 2.9780 2.9780 3.4942 3.4942 7.1582 7.1582 10.2093 10.2093 10.4977 10.4977 11.2141 11.2141 11.4150 11.4150 12.0112 12.0112 k =-0.0507 0.1126 0.1235 ( 12669 PWs) bands (ev): -16.6207 -16.6207 -16.3781 -16.3781 -16.3759 -16.3759 -16.3348 -16.3348 -13.6975 -13.6975 -13.6787 -13.6787 -2.7125 -2.7125 -2.3856 -2.3856 -1.5553 -1.5553 -1.2177 -1.2177 -1.0391 -1.0391 -0.9983 -0.9983 -0.8914 -0.8914 -0.4613 -0.4613 0.2951 0.2951 0.7883 0.7883 0.9805 0.9805 1.1631 1.1631 1.3555 1.3555 1.7958 1.7958 2.2927 2.2927 2.3108 2.3108 2.3474 2.3474 2.4230 2.4230 2.5373 2.5373 2.6317 2.6317 2.7014 2.7014 2.9810 2.9810 3.4339 3.4339 7.1225 7.1225 10.1913 10.1913 10.4884 10.4884 11.1742 11.1742 11.3795 11.3795 12.0022 12.0022 k =-0.0435 0.0965 0.1059 ( 12669 PWs) bands (ev): -16.6230 -16.6230 -16.3781 -16.3781 -16.3763 -16.3763 -16.3346 -16.3346 -13.6972 -13.6972 -13.6785 -13.6785 -2.7128 -2.7128 -2.3834 -2.3834 -1.5559 -1.5559 -1.2174 -1.2174 -1.0356 -1.0356 -0.9940 -0.9940 -0.8933 -0.8933 -0.4431 -0.4431 0.3015 0.3015 0.8458 0.8458 0.9931 0.9931 1.1710 1.1710 1.3506 1.3506 1.7664 1.7664 2.2866 2.2866 2.3119 2.3119 2.3432 2.3432 2.4297 2.4297 2.5410 2.5410 2.6297 2.6297 2.6919 2.6919 2.9836 2.9836 3.3798 3.3798 7.0914 7.0914 10.1752 10.1752 10.4788 10.4788 11.1398 11.1398 11.3497 11.3497 11.9945 11.9945 k =-0.0362 0.0804 0.0882 ( 12685 PWs) bands (ev): -16.6250 -16.6250 -16.3781 -16.3781 -16.3766 -16.3766 -16.3345 -16.3345 -13.6969 -13.6969 -13.6783 -13.6783 -2.7130 -2.7130 -2.3814 -2.3814 -1.5564 -1.5564 -1.2169 -1.2169 -1.0328 -1.0328 -0.9897 -0.9897 -0.8954 -0.8954 -0.4275 -0.4275 0.3071 0.3071 0.8978 0.8978 1.0051 1.0051 1.1835 1.1835 1.3462 1.3462 1.7332 1.7332 2.2811 2.2811 2.3116 2.3116 2.3391 2.3391 2.4365 2.4365 2.5466 2.5466 2.6283 2.6283 2.6812 2.6812 2.9857 2.9857 3.3328 3.3328 7.0650 7.0650 10.1610 10.1610 10.4694 10.4694 11.1110 11.1110 11.3253 11.3253 11.9879 11.9879 k =-0.0290 0.0643 0.0706 ( 12697 PWs) bands (ev): -16.6266 -16.6266 -16.3782 -16.3782 -16.3769 -16.3769 -16.3344 -16.3344 -13.6967 -13.6967 -13.6781 -13.6781 -2.7131 -2.7131 -2.3799 -2.3799 -1.5569 -1.5569 -1.2164 -1.2164 -1.0307 -1.0307 -0.9858 -0.9858 -0.8975 -0.8975 -0.4147 -0.4147 0.3118 0.3118 0.9404 0.9404 1.0165 1.0165 1.2025 1.2025 1.3425 1.3425 1.6970 1.6970 2.2765 2.2765 2.3105 2.3105 2.3355 2.3355 2.4428 2.4428 2.5537 2.5537 2.6276 2.6276 2.6695 2.6695 2.9873 2.9873 3.2937 3.2937 7.0433 7.0433 10.1491 10.1491 10.4609 10.4609 11.0876 11.0876 11.3059 11.3059 11.9825 11.9825 k =-0.0217 0.0483 0.0529 ( 12701 PWs) bands (ev): -16.6279 -16.6279 -16.3781 -16.3781 -16.3771 -16.3771 -16.3343 -16.3343 -13.6965 -13.6965 -13.6780 -13.6780 -2.7132 -2.7132 -2.3786 -2.3786 -1.5573 -1.5573 -1.2160 -1.2160 -1.0292 -1.0292 -0.9824 -0.9824 -0.8995 -0.8995 -0.4048 -0.4048 0.3155 0.3155 0.9709 0.9709 1.0273 1.0273 1.2282 1.2282 1.3397 1.3397 1.6594 1.6594 2.2727 2.2727 2.3089 2.3089 2.3327 2.3327 2.4481 2.4481 2.5622 2.5622 2.6271 2.6271 2.6573 2.6573 2.9886 2.9886 3.2629 3.2629 7.0265 7.0265 10.1396 10.1396 10.4537 10.4537 11.0695 11.0695 11.2912 11.2912 11.9783 11.9783 k =-0.0145 0.0322 0.0353 ( 12703 PWs) bands (ev): -16.6288 -16.6288 -16.3781 -16.3781 -16.3773 -16.3773 -16.3342 -16.3342 -13.6964 -13.6964 -13.6779 -13.6779 -2.7133 -2.7133 -2.3778 -2.3778 -1.5576 -1.5576 -1.2156 -1.2156 -1.0282 -1.0282 -0.9797 -0.9797 -0.9011 -0.9011 -0.3977 -0.3977 0.3182 0.3182 0.9892 0.9892 1.0364 1.0364 1.2572 1.2572 1.3381 1.3381 1.6239 1.6239 2.2700 2.2700 2.3073 2.3073 2.3308 2.3308 2.4520 2.4520 2.5713 2.5713 2.6269 2.6269 2.6455 2.6455 2.9894 2.9894 3.2408 3.2408 7.0144 7.0144 10.1327 10.1327 10.4482 10.4482 11.0566 11.0566 11.2809 11.2809 11.9753 11.9753 k =-0.0072 0.0161 0.0176 ( 12709 PWs) bands (ev): -16.6294 -16.6294 -16.3781 -16.3781 -16.3775 -16.3775 -16.3342 -16.3342 -13.6963 -13.6963 -13.6779 -13.6779 -2.7134 -2.7134 -2.3772 -2.3772 -1.5578 -1.5578 -1.2154 -1.2154 -1.0276 -1.0276 -0.9779 -0.9779 -0.9022 -0.9022 -0.3934 -0.3934 0.3198 0.3198 0.9985 0.9985 1.0424 1.0424 1.2813 1.2813 1.3381 1.3381 1.5964 1.5964 2.2684 2.2684 2.3062 2.3062 2.3297 2.3297 2.4544 2.4544 2.5793 2.5793 2.6269 2.6269 2.6357 2.6357 2.9898 2.9898 3.2276 3.2276 7.0071 7.0071 10.1285 10.1285 10.4448 10.4448 11.0489 11.0489 11.2748 11.2748 11.9735 11.9735 k = 0.0000 0.0000 0.0000 ( 12711 PWs) bands (ev): -16.6296 -16.6296 -16.3781 -16.3781 -16.3775 -16.3775 -16.3342 -16.3342 -13.6963 -13.6963 -13.6778 -13.6778 -2.7134 -2.7134 -2.3771 -2.3771 -1.5578 -1.5578 -1.2153 -1.2153 -1.0274 -1.0274 -0.9773 -0.9773 -0.9026 -0.9026 -0.3920 -0.3920 0.3203 0.3203 1.0013 1.0013 1.0445 1.0445 1.2906 1.2906 1.3386 1.3386 1.5856 1.5856 2.2678 2.2678 2.3058 2.3058 2.3294 2.3294 2.4553 2.4553 2.5828 2.5828 2.6269 2.6269 2.6316 2.6316 2.9900 2.9900 3.2232 3.2232 7.0047 7.0047 10.1271 10.1271 10.4436 10.4436 11.0463 11.0463 11.2728 11.2728 11.9729 11.9729 k = 0.0000 0.0000 0.0000 ( 12711 PWs) bands (ev): -16.6296 -16.6296 -16.3781 -16.3781 -16.3775 -16.3775 -16.3342 -16.3342 -13.6963 -13.6963 -13.6778 -13.6778 -2.7134 -2.7134 -2.3771 -2.3771 -1.5578 -1.5578 -1.2153 -1.2153 -1.0274 -1.0274 -0.9773 -0.9773 -0.9026 -0.9026 -0.3920 -0.3920 0.3203 0.3203 1.0013 1.0013 1.0445 1.0445 1.2906 1.2906 1.3386 1.3386 1.5856 1.5856 2.2678 2.2678 2.3058 2.3058 2.3294 2.3294 2.4553 2.4553 2.5828 2.5828 2.6269 2.6269 2.6316 2.6316 2.9900 2.9900 3.2232 3.2232 7.0047 7.0047 10.1271 10.1271 10.4436 10.4436 11.0463 11.0463 11.2728 11.2728 11.9729 11.9729 k = 0.0227 0.0102-0.0000 ( 12711 PWs) bands (ev): -16.6294 -16.6294 -16.3790 -16.3790 -16.3767 -16.3767 -16.3342 -16.3342 -13.6964 -13.6964 -13.6777 -13.6777 -2.7131 -2.7131 -2.3770 -2.3770 -1.5574 -1.5574 -1.2158 -1.2158 -1.0269 -1.0269 -0.9840 -0.9840 -0.8965 -0.8965 -0.3919 -0.3919 0.3191 0.3191 1.0012 1.0012 1.0446 1.0446 1.2907 1.2907 1.3409 1.3409 1.5856 1.5856 2.2678 2.2678 2.3055 2.3055 2.3292 2.3292 2.4552 2.4552 2.5832 2.5832 2.6248 2.6248 2.6322 2.6322 2.9898 2.9898 3.2227 3.2227 7.0072 7.0072 10.1250 10.1250 10.4377 10.4377 11.0469 11.0469 11.2760 11.2760 11.9808 11.9808 k = 0.0455 0.0205-0.0000 ( 12727 PWs) bands (ev): -16.6290 -16.6290 -16.3803 -16.3803 -16.3759 -16.3759 -16.3342 -16.3342 -13.6968 -13.6968 -13.6773 -13.6773 -2.7121 -2.7121 -2.3770 -2.3770 -1.5562 -1.5562 -1.2173 -1.2173 -1.0253 -1.0253 -1.0000 -1.0000 -0.8825 -0.8825 -0.3917 -0.3917 0.3153 0.3153 1.0006 1.0006 1.0449 1.0449 1.2908 1.2908 1.3477 1.3477 1.5856 1.5856 2.2678 2.2678 2.3048 2.3048 2.3286 2.3286 2.4549 2.4549 2.5843 2.5843 2.6200 2.6200 2.6328 2.6328 2.9894 2.9894 3.2213 3.2213 7.0145 7.0145 10.1186 10.1186 10.4206 10.4206 11.0486 11.0486 11.2854 11.2854 12.0038 12.0038 k = 0.0682 0.0307-0.0000 ( 12707 PWs) bands (ev): -16.6284 -16.6284 -16.3818 -16.3818 -16.3751 -16.3751 -16.3342 -16.3342 -13.6973 -13.6973 -13.6766 -13.6766 -2.7106 -2.7106 -2.3769 -2.3769 -1.5542 -1.5542 -1.2196 -1.2196 -1.0226 -1.0226 -1.0199 -1.0199 -0.8656 -0.8656 -0.3914 -0.3914 0.3093 0.3093 0.9996 0.9996 1.0453 1.0453 1.2910 1.2910 1.3589 1.3589 1.5855 1.5855 2.2679 2.2679 2.3037 2.3037 2.3277 2.3277 2.4544 2.4544 2.5862 2.5862 2.6133 2.6133 2.6328 2.6328 2.9886 2.9886 3.2190 3.2190 7.0266 7.0266 10.1085 10.1085 10.3935 10.3935 11.0512 11.0512 11.3008 11.3008 12.0401 12.0401 k = 0.0909 0.0410-0.0000 ( 12715 PWs) bands (ev): -16.6275 -16.6275 -16.3834 -16.3834 -16.3745 -16.3745 -16.3342 -16.3342 -13.6980 -13.6980 -13.6758 -13.6758 -2.7085 -2.7085 -2.3768 -2.3768 -1.5514 -1.5514 -1.2228 -1.2228 -1.0415 -1.0415 -1.0191 -1.0191 -0.8483 -0.8483 -0.3909 -0.3909 0.3012 0.3012 0.9983 0.9983 1.0459 1.0459 1.2912 1.2912 1.3742 1.3742 1.5855 1.5855 2.2679 2.2679 2.3021 2.3021 2.3264 2.3264 2.4535 2.4535 2.5887 2.5887 2.6051 2.6051 2.6321 2.6321 2.9876 2.9876 3.2157 3.2157 7.0431 7.0431 10.0949 10.0949 10.3583 10.3583 11.0545 11.0545 11.3214 11.3214 12.0846 12.0846 k = 0.1136 0.0512-0.0000 ( 12695 PWs) bands (ev): -16.6264 -16.6264 -16.3852 -16.3852 -16.3740 -16.3740 -16.3342 -16.3342 -13.6988 -13.6988 -13.6748 -13.6748 -2.7059 -2.7059 -2.3766 -2.3766 -1.5478 -1.5478 -1.2265 -1.2265 -1.0638 -1.0638 -1.0149 -1.0149 -0.8315 -0.8315 -0.3903 -0.3903 0.2912 0.2912 0.9967 0.9967 1.0466 1.0466 1.2915 1.2915 1.3933 1.3933 1.5854 1.5854 2.2680 2.2680 2.3001 2.3001 2.3247 2.3247 2.4519 2.4519 2.5920 2.5920 2.5957 2.5957 2.6309 2.6309 2.9863 2.9863 3.2115 3.2115 7.0635 7.0635 10.0784 10.0784 10.3171 10.3171 11.0583 11.0583 11.3468 11.3468 12.1175 12.1175 k = 0.1364 0.0614-0.0000 ( 12683 PWs) bands (ev): -16.6251 -16.6251 -16.3871 -16.3871 -16.3736 -16.3736 -16.3342 -16.3342 -13.6996 -13.6996 -13.6737 -13.6737 -2.7028 -2.7028 -2.3764 -2.3764 -1.5434 -1.5434 -1.2308 -1.2308 -1.0861 -1.0861 -1.0102 -1.0102 -0.8158 -0.8158 -0.3896 -0.3896 0.2797 0.2797 0.9948 0.9948 1.0474 1.0474 1.2919 1.2919 1.4159 1.4159 1.5853 1.5853 2.2681 2.2681 2.2977 2.2977 2.3227 2.3227 2.4492 2.4492 2.5859 2.5859 2.5960 2.5960 2.6292 2.6292 2.9846 2.9846 3.2064 3.2064 7.0873 7.0873 10.0598 10.0598 10.2719 10.2719 11.0625 11.0625 11.3761 11.3761 12.1186 12.1186 k = 0.1591 0.0717-0.0000 ( 12671 PWs) bands (ev): -16.6236 -16.6236 -16.3892 -16.3892 -16.3733 -16.3733 -16.3342 -16.3342 -13.7005 -13.7005 -13.6726 -13.6726 -2.6994 -2.6994 -2.3762 -2.3762 -1.5382 -1.5382 -1.2354 -1.2354 -1.1082 -1.1082 -1.0050 -1.0050 -0.8014 -0.8014 -0.3888 -0.3888 0.2670 0.2670 0.9927 0.9927 1.0481 1.0481 1.2922 1.2922 1.4413 1.4413 1.5852 1.5852 2.2682 2.2682 2.2950 2.2950 2.3205 2.3205 2.4452 2.4452 2.5764 2.5764 2.6007 2.6007 2.6270 2.6270 2.9826 2.9826 3.2003 3.2003 7.1140 7.1140 10.0396 10.0396 10.2245 10.2245 11.0669 11.0669 11.4084 11.4084 12.1083 12.1083 k = 0.1818 0.0819-0.0000 ( 12675 PWs) bands (ev): -16.6219 -16.6219 -16.3913 -16.3913 -16.3731 -16.3731 -16.3342 -16.3342 -13.7014 -13.7014 -13.6714 -13.6714 -2.6957 -2.6957 -2.3759 -2.3759 -1.5321 -1.5321 -1.2402 -1.2402 -1.1299 -1.1299 -0.9995 -0.9995 -0.7885 -0.7885 -0.3879 -0.3879 0.2535 0.2535 0.9904 0.9904 1.0489 1.0489 1.2926 1.2926 1.4692 1.4692 1.5851 1.5851 2.2683 2.2683 2.2921 2.2921 2.3179 2.3179 2.4392 2.4392 2.5680 2.5680 2.6059 2.6059 2.6243 2.6243 2.9803 2.9803 3.1934 3.1934 7.1429 7.1429 10.0183 10.0183 10.1764 10.1764 11.0714 11.0714 11.4431 11.4431 12.0949 12.0949 k = 0.2045 0.0922-0.0000 ( 12699 PWs) bands (ev): -16.6200 -16.6200 -16.3936 -16.3936 -16.3730 -16.3730 -16.3342 -16.3342 -13.7022 -13.7022 -13.6703 -13.6703 -2.6918 -2.6918 -2.3757 -2.3757 -1.5253 -1.5253 -1.2451 -1.2451 -1.1510 -1.1510 -0.9940 -0.9940 -0.7773 -0.7773 -0.3870 -0.3870 0.2394 0.2394 0.9880 0.9880 1.0496 1.0496 1.2930 1.2930 1.4990 1.4990 1.5849 1.5849 2.2683 2.2683 2.2889 2.2889 2.3152 2.3152 2.4310 2.4310 2.5614 2.5614 2.6118 2.6118 2.6212 2.6212 2.9777 2.9777 3.1856 3.1856 7.1732 7.1732 9.9966 9.9966 10.1289 10.1289 11.0759 11.0759 11.4794 11.4794 12.0803 12.0803 k = 0.2273 0.1024-0.0000 ( 12699 PWs) bands (ev): -16.6181 -16.6181 -16.3959 -16.3959 -16.3729 -16.3729 -16.3342 -16.3342 -13.7030 -13.7030 -13.6691 -13.6691 -2.6878 -2.6878 -2.3754 -2.3754 -1.5177 -1.5177 -1.2500 -1.2500 -1.1713 -1.1713 -0.9884 -0.9884 -0.7676 -0.7676 -0.3860 -0.3860 0.2252 0.2252 0.9855 0.9855 1.0504 1.0504 1.2933 1.2933 1.5301 1.5301 1.5848 1.5848 2.2683 2.2683 2.2856 2.2856 2.3124 2.3124 2.4207 2.4207 2.5570 2.5570 2.6177 2.6177 2.6181 2.6181 2.9748 2.9748 3.1772 3.1772 7.2044 7.2044 9.9749 9.9749 10.0831 10.0831 11.0805 11.0805 11.5163 11.5163 12.0652 12.0652 k = 0.2500 0.1126-0.0000 ( 12675 PWs) bands (ev): -16.6160 -16.6160 -16.3982 -16.3982 -16.3729 -16.3729 -16.3342 -16.3342 -13.7038 -13.7038 -13.6680 -13.6680 -2.6837 -2.6837 -2.3751 -2.3751 -1.5093 -1.5093 -1.2548 -1.2548 -1.1908 -1.1908 -0.9830 -0.9830 -0.7596 -0.7596 -0.3849 -0.3849 0.2110 0.2110 0.9830 0.9830 1.0510 1.0510 1.2936 1.2936 1.5620 1.5620 1.5847 1.5847 2.2683 2.2683 2.2821 2.2821 2.3094 2.3094 2.4086 2.4086 2.5547 2.5547 2.6138 2.6138 2.6248 2.6248 2.9716 2.9716 3.1681 3.1681 7.2356 7.2356 9.9536 9.9536 10.0397 10.0397 11.0849 11.0849 11.5534 11.5534 12.0503 12.0503 k = 0.2727 0.1229-0.0000 ( 12675 PWs) bands (ev): -16.6140 -16.6140 -16.4005 -16.4005 -16.3729 -16.3729 -16.3342 -16.3342 -13.7045 -13.7045 -13.6670 -13.6670 -2.6798 -2.6798 -2.3748 -2.3748 -1.5002 -1.5002 -1.2593 -1.2593 -1.2095 -1.2095 -0.9777 -0.9777 -0.7532 -0.7532 -0.3838 -0.3838 0.1972 0.1972 0.9806 0.9806 1.0517 1.0517 1.2938 1.2938 1.5845 1.5845 1.5941 1.5941 2.2683 2.2683 2.2787 2.2787 2.3065 2.3065 2.3953 2.3953 2.5543 2.5543 2.6096 2.6096 2.6318 2.6318 2.9682 2.9682 3.1586 3.1586 7.2662 7.2662 9.9332 9.9332 9.9994 9.9994 11.0892 11.0892 11.5898 11.5898 12.0357 12.0357 k = 0.2955 0.1331-0.0000 ( 12667 PWs) bands (ev): -16.6119 -16.6119 -16.4028 -16.4028 -16.3730 -16.3730 -16.3342 -16.3342 -13.7052 -13.7052 -13.6660 -13.6660 -2.6760 -2.6760 -2.3745 -2.3745 -1.4905 -1.4905 -1.2637 -1.2637 -1.2272 -1.2272 -0.9727 -0.9727 -0.7483 -0.7483 -0.3828 -0.3828 0.1841 0.1841 0.9782 0.9782 1.0522 1.0522 1.2940 1.2940 1.5844 1.5844 1.6257 1.6257 2.2682 2.2682 2.2753 2.2753 2.3037 2.3037 2.3814 2.3814 2.5553 2.5553 2.6051 2.6051 2.6389 2.6389 2.9646 2.9646 3.1488 3.1488 7.2956 7.2956 9.9139 9.9139 9.9627 9.9627 11.0933 11.0933 11.6250 11.6250 12.0219 12.0219 k = 0.3182 0.1433-0.0000 ( 12683 PWs) bands (ev): -16.6099 -16.6099 -16.4051 -16.4051 -16.3730 -16.3730 -16.3342 -16.3342 -13.7058 -13.7058 -13.6651 -13.6651 -2.6724 -2.6724 -2.3743 -2.3743 -1.4801 -1.4801 -1.2677 -1.2677 -1.2441 -1.2441 -0.9681 -0.9681 -0.7448 -0.7448 -0.3817 -0.3817 0.1718 0.1718 0.9759 0.9759 1.0527 1.0527 1.2942 1.2942 1.5843 1.5843 1.6564 1.6564 2.2680 2.2680 2.2721 2.2721 2.3010 2.3010 2.3677 2.3677 2.5574 2.5574 2.6005 2.6005 2.6460 2.6460 2.9609 2.9609 3.1390 3.1390 7.3233 7.3233 9.8959 9.8959 9.9298 9.9298 11.0970 11.0970 11.6583 11.6583 12.0090 12.0090 k = 0.3409 0.1536-0.0000 ( 12675 PWs) bands (ev): -16.6080 -16.6080 -16.4072 -16.4072 -16.3731 -16.3731 -16.3342 -16.3342 -13.7063 -13.7063 -13.6642 -13.6642 -2.6690 -2.6690 -2.3740 -2.3740 -1.4693 -1.4693 -1.2713 -1.2713 -1.2602 -1.2602 -0.9639 -0.9639 -0.7425 -0.7425 -0.3808 -0.3808 0.1605 0.1605 0.9738 0.9738 1.0532 1.0532 1.2943 1.2943 1.5842 1.5842 1.6853 1.6853 2.2678 2.2678 2.2691 2.2691 2.2986 2.2986 2.3546 2.3546 2.5601 2.5601 2.5958 2.5958 2.6529 2.6529 2.9573 2.9573 3.1293 3.1293 7.3486 7.3486 9.8797 9.8797 9.9010 9.9010 11.1004 11.1004 11.6892 11.6892 11.9973 11.9973 k = 0.3636 0.1638-0.0000 ( 12691 PWs) bands (ev): -16.6062 -16.6062 -16.4091 -16.4091 -16.3732 -16.3732 -16.3342 -16.3342 -13.7068 -13.7068 -13.6635 -13.6635 -2.6661 -2.6661 -2.3738 -2.3738 -1.4582 -1.4582 -1.2753 -1.2753 -1.2745 -1.2745 -0.9602 -0.9602 -0.7411 -0.7411 -0.3799 -0.3799 0.1504 0.1504 0.9719 0.9719 1.0536 1.0536 1.2944 1.2944 1.5840 1.5840 1.7121 1.7121 2.2663 2.2663 2.2675 2.2675 2.2964 2.2964 2.3426 2.3426 2.5631 2.5631 2.5912 2.5912 2.6595 2.6595 2.9537 2.9537 3.1201 3.1201 7.3712 7.3712 9.8652 9.8652 9.8764 9.8764 11.1035 11.1035 11.7170 11.7170 11.9868 11.9868 k = 0.3864 0.1741-0.0000 ( 12695 PWs) bands (ev): -16.6045 -16.6045 -16.4108 -16.4108 -16.3733 -16.3733 -16.3342 -16.3342 -13.7072 -13.7072 -13.6629 -13.6629 -2.6635 -2.6635 -2.3736 -2.3736 -1.4469 -1.4469 -1.2896 -1.2896 -1.2773 -1.2773 -0.9569 -0.9569 -0.7405 -0.7405 -0.3790 -0.3790 0.1417 0.1417 0.9702 0.9702 1.0539 1.0539 1.2945 1.2945 1.5840 1.5840 1.7359 1.7359 2.2639 2.2639 2.2672 2.2672 2.2945 2.2945 2.3320 2.3320 2.5661 2.5661 2.5870 2.5870 2.6654 2.6654 2.9503 2.9503 3.1116 3.1116 7.3908 7.3908 9.8527 9.8527 9.8559 9.8559 11.1060 11.1060 11.7415 11.7415 11.9777 11.9777 k = 0.4091 0.1843-0.0000 ( 12703 PWs) bands (ev): -16.6031 -16.6031 -16.4123 -16.4123 -16.3734 -16.3734 -16.3342 -16.3342 -13.7075 -13.7075 -13.6624 -13.6624 -2.6613 -2.6613 -2.3735 -2.3735 -1.4357 -1.4357 -1.3029 -1.3029 -1.2796 -1.2796 -0.9543 -0.9543 -0.7404 -0.7404 -0.3784 -0.3784 0.1344 0.1344 0.9688 0.9688 1.0542 1.0542 1.2945 1.2945 1.5839 1.5839 1.7564 1.7564 2.2618 2.2618 2.2668 2.2668 2.2930 2.2930 2.3230 2.3230 2.5687 2.5687 2.5834 2.5834 2.6707 2.6707 2.9473 2.9473 3.1041 3.1041 7.4071 7.4071 9.8393 9.8393 9.8423 9.8423 11.1082 11.1082 11.7621 11.7621 11.9702 11.9702 k = 0.4318 0.1945-0.0000 ( 12687 PWs) bands (ev): -16.6020 -16.6020 -16.4135 -16.4135 -16.3734 -16.3734 -16.3342 -16.3342 -13.7077 -13.7077 -13.6619 -13.6619 -2.6596 -2.6596 -2.3733 -2.3733 -1.4251 -1.4251 -1.3150 -1.3150 -1.2814 -1.2814 -0.9521 -0.9521 -0.7406 -0.7406 -0.3778 -0.3778 0.1287 0.1287 0.9677 0.9677 1.0544 1.0544 1.2945 1.2945 1.5838 1.5838 1.7729 1.7729 2.2601 2.2601 2.2665 2.2665 2.2918 2.2918 2.3159 2.3159 2.5704 2.5704 2.5808 2.5808 2.6750 2.6750 2.9448 2.9448 3.0980 3.0980 7.4200 7.4200 9.8267 9.8267 9.8342 9.8342 11.1099 11.1099 11.7784 11.7784 11.9642 11.9642 k = 0.4545 0.2048-0.0000 ( 12675 PWs) bands (ev): -16.6012 -16.6012 -16.4144 -16.4144 -16.3735 -16.3735 -16.3342 -16.3342 -13.7079 -13.7079 -13.6617 -13.6617 -2.6584 -2.6584 -2.3733 -2.3733 -1.4157 -1.4157 -1.3252 -1.3252 -1.2827 -1.2827 -0.9506 -0.9506 -0.7409 -0.7409 -0.3774 -0.3774 0.1246 0.1246 0.9669 0.9669 1.0545 1.0545 1.2945 1.2945 1.5838 1.5838 1.7850 1.7850 2.2589 2.2589 2.2662 2.2662 2.2910 2.2910 2.3108 2.3108 2.5710 2.5710 2.5796 2.5796 2.6782 2.6782 2.9429 2.9429 3.0934 3.0934 7.4292 7.4292 9.8178 9.8178 9.8283 9.8283 11.1111 11.1111 11.7903 11.7903 11.9599 11.9599 k = 0.4773 0.2150-0.0000 ( 12684 PWs) bands (ev): -16.6007 -16.6007 -16.4149 -16.4149 -16.3735 -16.3735 -16.3342 -16.3342 -13.7080 -13.7080 -13.6615 -13.6615 -2.6576 -2.6576 -2.3732 -2.3732 -1.4089 -1.4089 -1.3325 -1.3325 -1.2835 -1.2835 -0.9497 -0.9497 -0.7411 -0.7411 -0.3771 -0.3771 0.1221 0.1221 0.9664 0.9664 1.0546 1.0546 1.2945 1.2945 1.5837 1.5837 1.7924 1.7924 2.2581 2.2581 2.2661 2.2661 2.2905 2.2905 2.3077 2.3077 2.5708 2.5708 2.5794 2.5794 2.6802 2.6802 2.9417 2.9417 3.0906 3.0906 7.4348 7.4348 9.8125 9.8125 9.8247 9.8247 11.1118 11.1118 11.7975 11.7975 11.9573 11.9573 k = 0.5000 0.2253-0.0000 ( 12680 PWs) bands (ev): -16.6005 -16.6005 -16.4151 -16.4151 -16.3735 -16.3735 -16.3342 -16.3342 -13.7081 -13.7081 -13.6614 -13.6614 -2.6574 -2.6574 -2.3732 -2.3732 -1.4063 -1.4063 -1.3352 -1.3352 -1.2838 -1.2838 -0.9494 -0.9494 -0.7412 -0.7412 -0.3771 -0.3771 0.1212 0.1212 0.9662 0.9662 1.0546 1.0546 1.2945 1.2945 1.5837 1.5837 1.7949 1.7949 2.2579 2.2579 2.2660 2.2660 2.2904 2.2904 2.3067 2.3067 2.5707 2.5707 2.5795 2.5795 2.6808 2.6808 2.9413 2.9413 3.0896 3.0896 7.4366 7.4366 9.8108 9.8108 9.8235 9.8235 11.1120 11.1120 11.8000 11.8000 11.9565 11.9565 k = 0.5000 0.2253-0.0000 ( 12680 PWs) bands (ev): -16.6005 -16.6005 -16.4151 -16.4151 -16.3735 -16.3735 -16.3342 -16.3342 -13.7081 -13.7081 -13.6614 -13.6614 -2.6574 -2.6574 -2.3732 -2.3732 -1.4063 -1.4063 -1.3352 -1.3352 -1.2838 -1.2838 -0.9494 -0.9494 -0.7412 -0.7412 -0.3771 -0.3771 0.1212 0.1212 0.9662 0.9662 1.0546 1.0546 1.2945 1.2945 1.5837 1.5837 1.7949 1.7949 2.2579 2.2579 2.2660 2.2660 2.2904 2.2904 2.3067 2.3067 2.5707 2.5707 2.5795 2.5795 2.6808 2.6808 2.9413 2.9413 3.0896 3.0896 7.4366 7.4366 9.8108 9.8108 9.8235 9.8235 11.1120 11.1120 11.8000 11.8000 11.9565 11.9565 k = 0.4928 0.2413 0.0176 ( 12676 PWs) bands (ev): -16.6003 -16.6003 -16.4151 -16.4151 -16.3735 -16.3735 -16.3342 -16.3342 -13.7080 -13.7080 -13.6615 -13.6615 -2.6572 -2.6572 -2.3735 -2.3735 -1.4062 -1.4062 -1.3353 -1.3353 -1.2837 -1.2837 -0.9496 -0.9496 -0.7416 -0.7416 -0.3786 -0.3786 0.1208 0.1208 0.9632 0.9632 1.0524 1.0524 1.2848 1.2848 1.5936 1.5936 1.7955 1.7955 2.2586 2.2586 2.2665 2.2665 2.2907 2.2907 2.3073 2.3073 2.5607 2.5607 2.5885 2.5885 2.6812 2.6812 2.9412 2.9412 3.0946 3.0946 7.4385 7.4385 9.8128 9.8128 9.8259 9.8259 11.1137 11.1137 11.8018 11.8018 11.9563 11.9563 k = 0.4855 0.2574 0.0353 ( 12682 PWs) bands (ev): -16.5998 -16.5998 -16.4149 -16.4149 -16.3735 -16.3735 -16.3343 -16.3343 -13.7080 -13.7080 -13.6617 -13.6617 -2.6568 -2.6568 -2.3744 -2.3744 -1.4057 -1.4057 -1.3357 -1.3357 -1.2833 -1.2833 -0.9501 -0.9501 -0.7430 -0.7430 -0.3831 -0.3831 0.1193 0.1193 0.9536 0.9536 1.0453 1.0453 1.2609 1.2609 1.6184 1.6184 1.7975 1.7975 2.2605 2.2605 2.2681 2.2681 2.2918 2.2918 2.3094 2.3094 2.5469 2.5469 2.5994 2.5994 2.6822 2.6822 2.9407 2.9407 3.1097 3.1097 7.4442 7.4442 9.8190 9.8190 9.8330 9.8330 11.1186 11.1186 11.8075 11.8075 11.9558 11.9558 k = 0.4783 0.2735 0.0529 ( 12684 PWs) bands (ev): -16.5990 -16.5990 -16.4147 -16.4147 -16.3735 -16.3735 -16.3343 -16.3343 -13.7079 -13.7079 -13.6620 -13.6620 -2.6561 -2.6561 -2.3759 -2.3759 -1.4048 -1.4048 -1.3363 -1.3363 -1.2827 -1.2827 -0.9511 -0.9511 -0.7452 -0.7452 -0.3905 -0.3905 0.1170 0.1170 0.9358 0.9358 1.0332 1.0332 1.2331 1.2331 1.6496 1.6496 1.8012 1.8012 2.2633 2.2633 2.2708 2.2708 2.2937 2.2937 2.3127 2.3127 2.5328 2.5328 2.6086 2.6086 2.6837 2.6837 2.9399 2.9399 3.1348 3.1348 7.4536 7.4536 9.8293 9.8293 9.8448 9.8448 11.1267 11.1267 11.8168 11.8168 11.9547 11.9547 k = 0.4710 0.2896 0.0706 ( 12678 PWs) bands (ev): -16.5978 -16.5978 -16.4144 -16.4144 -16.3735 -16.3735 -16.3344 -16.3344 -13.7079 -13.7079 -13.6624 -13.6624 -2.6552 -2.6552 -2.3780 -2.3780 -1.4037 -1.4037 -1.3370 -1.3370 -1.2818 -1.2818 -0.9525 -0.9525 -0.7482 -0.7482 -0.4010 -0.4010 0.1137 0.1137 0.9076 0.9076 1.0172 1.0172 1.2093 1.2093 1.6803 1.6803 1.8074 1.8074 2.2664 2.2664 2.2747 2.2747 2.2968 2.2968 2.3173 2.3173 2.5189 2.5189 2.6160 2.6160 2.6856 2.6856 2.9387 2.9387 3.1696 3.1696 7.4667 7.4667 9.8437 9.8437 9.8609 9.8609 11.1380 11.1380 11.8298 11.8298 11.9527 11.9527 k = 0.4638 0.3057 0.0882 ( 12680 PWs) bands (ev): -16.5962 -16.5962 -16.4139 -16.4139 -16.3735 -16.3735 -16.3345 -16.3345 -13.7077 -13.7077 -13.6629 -13.6629 -2.6540 -2.6540 -2.3807 -2.3807 -1.4024 -1.4024 -1.3379 -1.3379 -1.2806 -1.2806 -0.9542 -0.9542 -0.7522 -0.7522 -0.4144 -0.4144 0.1097 0.1097 0.8676 0.8676 0.9996 0.9996 1.1925 1.1925 1.7063 1.7063 1.8172 1.8172 2.2694 2.2694 2.2799 2.2799 2.3013 2.3013 2.3229 2.3229 2.5056 2.5056 2.6216 2.6216 2.6875 2.6875 2.9370 2.9370 3.2138 3.2138 7.4836 7.4836 9.8621 9.8621 9.8812 9.8812 11.1522 11.1522 11.8466 11.8466 11.9498 11.9498 k = 0.4565 0.3218 0.1058 ( 12662 PWs) bands (ev): -16.5944 -16.5944 -16.4134 -16.4134 -16.3735 -16.3735 -16.3346 -16.3346 -13.7076 -13.7076 -13.6636 -13.6636 -2.6526 -2.6526 -2.3840 -2.3840 -1.4010 -1.4010 -1.3390 -1.3390 -1.2791 -1.2791 -0.9562 -0.9562 -0.7572 -0.7572 -0.4306 -0.4306 0.1050 0.1050 0.8175 0.8175 0.9820 0.9820 1.1819 1.1819 1.7252 1.7252 1.8309 1.8309 2.2720 2.2720 2.2863 2.2863 2.3070 2.3070 2.3293 2.3293 2.4931 2.4931 2.6259 2.6259 2.6892 2.6892 2.9349 2.9349 3.2666 3.2666 7.5042 7.5042 9.8844 9.8844 9.9055 9.9055 11.1691 11.1691 11.8669 11.8669 11.9460 11.9460 k = 0.4493 0.3378 0.1235 ( 12652 PWs) bands (ev): -16.5922 -16.5922 -16.4128 -16.4128 -16.3735 -16.3735 -16.3348 -16.3348 -13.7074 -13.7074 -13.6643 -13.6643 -2.6509 -2.6509 -2.3879 -2.3879 -1.3996 -1.3996 -1.3400 -1.3400 -1.2773 -1.2773 -0.9586 -0.9586 -0.7631 -0.7631 -0.4497 -0.4497 0.0997 0.0997 0.7607 0.7607 0.9649 0.9649 1.1757 1.1757 1.7373 1.7373 1.8475 1.8475 2.2744 2.2744 2.2933 2.2933 2.3139 2.3139 2.3361 2.3361 2.4819 2.4819 2.6293 2.6293 2.6903 2.6903 2.9324 2.9324 3.3268 3.3268 7.5286 7.5286 9.9104 9.9104 9.9334 9.9334 11.1885 11.1885 11.8906 11.8906 11.9418 11.9418 k = 0.4420 0.3539 0.1411 ( 12642 PWs) bands (ev): -16.5898 -16.5898 -16.4122 -16.4122 -16.3735 -16.3735 -16.3350 -16.3350 -13.7072 -13.7072 -13.6652 -13.6652 -2.6489 -2.6489 -2.3924 -2.3924 -1.3983 -1.3983 -1.3410 -1.3410 -1.2750 -1.2750 -0.9614 -0.9614 -0.7701 -0.7701 -0.4712 -0.4712 0.0940 0.0940 0.7003 0.7003 0.9480 0.9480 1.1723 1.1723 1.7443 1.7443 1.8651 1.8651 2.2768 2.2768 2.3008 2.3008 2.3215 2.3215 2.3426 2.3426 2.4725 2.4725 2.6325 2.6325 2.6907 2.6907 2.9295 2.9295 3.3934 3.3934 7.5566 7.5566 9.9399 9.9399 9.9647 9.9647 11.2100 11.2100 11.9166 11.9166 11.9388 11.9388 k = 0.4348 0.3700 0.1588 ( 12652 PWs) bands (ev): -16.5871 -16.5871 -16.4114 -16.4114 -16.3735 -16.3735 -16.3353 -16.3353 -13.7070 -13.7070 -13.6662 -13.6662 -2.6467 -2.6467 -2.3974 -2.3974 -1.3973 -1.3973 -1.3418 -1.3418 -1.2723 -1.2723 -0.9644 -0.9644 -0.7783 -0.7783 -0.4951 -0.4951 0.0878 0.0878 0.6388 0.6388 0.9311 0.9311 1.1705 1.1705 1.7479 1.7479 1.8820 1.8820 2.2792 2.2792 2.3083 2.3083 2.3292 2.3292 2.3483 2.3483 2.4657 2.4657 2.6359 2.6359 2.6905 2.6905 2.9263 2.9263 3.4651 3.4651 7.5883 7.5883 9.9725 9.9725 9.9990 9.9990 11.2331 11.2331 11.9300 11.9300 11.9528 11.9528 k = 0.4275 0.3861 0.1764 ( 12634 PWs) bands (ev): -16.5841 -16.5841 -16.4106 -16.4106 -16.3735 -16.3735 -16.3355 -16.3355 -13.7068 -13.7068 -13.6672 -13.6672 -2.6443 -2.6443 -2.4030 -2.4030 -1.3968 -1.3968 -1.3423 -1.3423 -1.2692 -1.2692 -0.9677 -0.9677 -0.7879 -0.7879 -0.5210 -0.5210 0.0814 0.0814 0.5779 0.5779 0.9141 0.9141 1.1697 1.1697 1.7494 1.7494 1.8972 1.8972 2.2817 2.2817 2.3154 2.3154 2.3363 2.3363 2.3528 2.3528 2.4624 2.4624 2.6398 2.6398 2.6896 2.6896 2.9229 2.9229 3.5408 3.5408 7.6236 7.6236 10.0080 10.0080 10.0358 10.0358 11.2573 11.2573 11.9298 11.9298 11.9854 11.9854 k = 0.4203 0.4022 0.1940 ( 12642 PWs) bands (ev): -16.5809 -16.5809 -16.4097 -16.4097 -16.3734 -16.3734 -16.3359 -16.3359 -13.7065 -13.7065 -13.6684 -13.6684 -2.6417 -2.6417 -2.4090 -2.4090 -1.3971 -1.3971 -1.3424 -1.3424 -1.2655 -1.2655 -0.9712 -0.9712 -0.7993 -0.7993 -0.5482 -0.5482 0.0748 0.0748 0.5185 0.5185 0.8970 0.8970 1.1695 1.1695 1.7493 1.7493 1.9105 1.9105 2.2843 2.2843 2.3209 2.3209 2.3421 2.3421 2.3571 2.3571 2.4631 2.4631 2.6446 2.6446 2.6882 2.6882 2.9193 2.9193 3.6192 3.6192 7.6625 7.6625 10.0459 10.0459 10.0748 10.0748 11.2820 11.2820 11.9314 11.9314 12.0220 12.0220 k = 0.4130 0.4183 0.2117 ( 12646 PWs) bands (ev): -16.5775 -16.5775 -16.4087 -16.4087 -16.3734 -16.3734 -16.3362 -16.3362 -13.7062 -13.7062 -13.6696 -13.6696 -2.6389 -2.6389 -2.4156 -2.4156 -1.3981 -1.3981 -1.3419 -1.3419 -1.2614 -1.2614 -0.9750 -0.9750 -0.8127 -0.8127 -0.5761 -0.5761 0.0682 0.0682 0.4616 0.4616 0.8799 0.8799 1.1695 1.1695 1.7481 1.7481 1.9218 1.9218 2.2865 2.2865 2.3228 2.3228 2.3473 2.3473 2.3621 2.3621 2.4676 2.4676 2.6501 2.6501 2.6867 2.6867 2.9158 2.9158 3.6994 3.6994 7.7049 7.7049 10.0858 10.0858 10.1154 10.1154 11.3065 11.3065 11.9369 11.9369 12.0606 12.0606 k = 0.4058 0.4343 0.2293 ( 12654 PWs) bands (ev): -16.5739 -16.5739 -16.4077 -16.4077 -16.3734 -16.3734 -16.3367 -16.3367 -13.7059 -13.7059 -13.6709 -13.6709 -2.6359 -2.6359 -2.4227 -2.4227 -1.4000 -1.4000 -1.3409 -1.3409 -1.2567 -1.2567 -0.9790 -0.9790 -0.8288 -0.8288 -0.6038 -0.6038 0.0616 0.0616 0.4076 0.4076 0.8628 0.8628 1.1695 1.1695 1.7460 1.7460 1.9313 1.9313 2.2875 2.2875 2.3208 2.3208 2.3535 2.3535 2.3678 2.3678 2.4751 2.4751 2.6559 2.6559 2.6857 2.6857 2.9122 2.9122 3.7803 3.7803 7.7506 7.7506 10.1273 10.1273 10.1572 10.1572 11.3303 11.3303 11.9472 11.9472 12.0992 12.0992 k = 0.3986 0.4504 0.2470 ( 12666 PWs) bands (ev): -16.5701 -16.5701 -16.4067 -16.4067 -16.3733 -16.3733 -16.3371 -16.3371 -13.7056 -13.7056 -13.6722 -13.6722 -2.6327 -2.6327 -2.4303 -2.4303 -1.4029 -1.4029 -1.3392 -1.3392 -1.2514 -1.2514 -0.9831 -0.9831 -0.8480 -0.8480 -0.6304 -0.6304 0.0551 0.0551 0.3568 0.3568 0.8459 0.8459 1.1695 1.1695 1.7431 1.7431 1.9391 1.9391 2.2854 2.2854 2.3182 2.3182 2.3598 2.3598 2.3740 2.3740 2.4849 2.4849 2.6606 2.6606 2.6866 2.6866 2.9089 2.9089 3.8611 3.8611 7.7996 7.7996 10.1697 10.1697 10.1998 10.1998 11.3530 11.3530 11.9628 11.9628 12.1347 12.1347 k = 0.3913 0.4665 0.2646 ( 12666 PWs) bands (ev): -16.5662 -16.5662 -16.4055 -16.4055 -16.3733 -16.3733 -16.3377 -16.3377 -13.7052 -13.7052 -13.6736 -13.6736 -2.6293 -2.6293 -2.4382 -2.4382 -1.4067 -1.4067 -1.3372 -1.3372 -1.2456 -1.2456 -0.9873 -0.9873 -0.8707 -0.8707 -0.6550 -0.6550 0.0488 0.0488 0.3094 0.3094 0.8293 0.8293 1.1693 1.1693 1.7395 1.7395 1.9456 1.9456 2.2786 2.2786 2.3182 2.3182 2.3646 2.3646 2.3814 2.3814 2.4961 2.4961 2.6622 2.6622 2.6914 2.6914 2.9059 2.9059 3.9409 3.9409 7.8517 7.8517 10.2124 10.2124 10.2427 10.2427 11.3742 11.3742 11.9838 11.9838 12.1646 12.1646 k = 0.3841 0.4826 0.2822 ( 12666 PWs) bands (ev): -16.5622 -16.5622 -16.4044 -16.4044 -16.3732 -16.3732 -16.3382 -16.3382 -13.7048 -13.7048 -13.6751 -13.6751 -2.6257 -2.6257 -2.4466 -2.4466 -1.4113 -1.4113 -1.3347 -1.3347 -1.2393 -1.2393 -0.9916 -0.9916 -0.8970 -0.8970 -0.6770 -0.6770 0.0428 0.0428 0.2654 0.2654 0.8131 0.8131 1.1688 1.1688 1.7353 1.7353 1.9509 1.9509 2.2679 2.2679 2.3209 2.3209 2.3672 2.3672 2.3901 2.3901 2.5083 2.5083 2.6608 2.6608 2.6998 2.6998 2.9034 2.9034 4.0192 4.0192 7.9066 7.9066 10.2546 10.2546 10.2856 10.2856 11.3942 11.3942 12.0097 12.0097 12.1906 12.1906 k = 0.3768 0.4987 0.2999 ( 12660 PWs) bands (ev): -16.5582 -16.5582 -16.4032 -16.4032 -16.3732 -16.3732 -16.3389 -16.3389 -13.7044 -13.7044 -13.6766 -13.6766 -2.6220 -2.6220 -2.4553 -2.4553 -1.4166 -1.4166 -1.3320 -1.3320 -1.2325 -1.2325 -0.9960 -0.9960 -0.9267 -0.9267 -0.6961 -0.6961 0.0370 0.0370 0.2248 0.2248 0.7973 0.7973 1.1681 1.1681 1.7304 1.7304 1.9551 1.9551 2.2550 2.2550 2.3253 2.3253 2.3677 2.3677 2.3997 2.3997 2.5210 2.5210 2.6575 2.6575 2.7103 2.7103 2.9015 2.9015 4.0953 4.0953 7.9641 7.9641 10.2955 10.2955 10.3282 10.3282 11.4133 11.4133 12.0393 12.0393 12.2148 12.2148 k = 0.3696 0.5148 0.3175 ( 12660 PWs) bands (ev): -16.5541 -16.5541 -16.4021 -16.4021 -16.3731 -16.3731 -16.3395 -16.3395 -13.7040 -13.7040 -13.6781 -13.6781 -2.6182 -2.6182 -2.4644 -2.4644 -1.4226 -1.4226 -1.3291 -1.3291 -1.2253 -1.2253 -1.0005 -1.0005 -0.9588 -0.9588 -0.7124 -0.7124 0.0316 0.0316 0.1877 0.1877 0.7821 0.7821 1.1671 1.1671 1.7250 1.7250 1.9586 1.9586 2.2409 2.2409 2.3307 2.3307 2.3667 2.3667 2.4097 2.4097 2.5339 2.5339 2.6535 2.6535 2.7216 2.7216 2.9006 2.9006 4.1686 4.1686 8.0239 8.0239 10.3341 10.3341 10.3703 10.3703 11.4322 11.4322 12.0709 12.0709 12.2383 12.2383 k = 0.3623 0.5309 0.3352 ( 12662 PWs) bands (ev): -16.5500 -16.5500 -16.4009 -16.4009 -16.3729 -16.3729 -16.3403 -16.3403 -13.7035 -13.7035 -13.6796 -13.6796 -2.6141 -2.6141 -2.4737 -2.4737 -1.4291 -1.4291 -1.3261 -1.3261 -1.2178 -1.2178 -1.0061 -1.0061 -0.9915 -0.9915 -0.7264 -0.7264 0.0265 0.0265 0.1538 0.1538 0.7675 0.7675 1.1659 1.1659 1.7191 1.7191 1.9613 1.9613 2.2262 2.2262 2.3365 2.3365 2.3644 2.3644 2.4199 2.4199 2.5467 2.5467 2.6491 2.6491 2.7328 2.7328 2.9007 2.9007 4.2389 4.2389 8.0856 8.0856 10.3696 10.3696 10.4117 10.4117 11.4515 11.4515 12.1026 12.1026 12.2612 12.2612 k = 0.3551 0.5469 0.3528 ( 12652 PWs) bands (ev): -16.5460 -16.5460 -16.3996 -16.3996 -16.3728 -16.3728 -16.3411 -16.3411 -13.7031 -13.7031 -13.6812 -13.6812 -2.6100 -2.6100 -2.4833 -2.4833 -1.4361 -1.4361 -1.3233 -1.3233 -1.2101 -1.2101 -1.0296 -1.0296 -1.0067 -1.0067 -0.7384 -0.7384 0.0217 0.0217 0.1232 0.1232 0.7537 0.7537 1.1643 1.1643 1.7126 1.7126 1.9634 1.9634 2.2112 2.2112 2.3427 2.3427 2.3613 2.3613 2.4301 2.4301 2.5590 2.5590 2.6448 2.6448 2.7435 2.7435 2.9021 2.9021 4.3056 4.3056 8.1487 8.1487 10.4014 10.4014 10.4520 10.4520 11.4718 11.4718 12.1323 12.1323 12.2835 12.2835 k = 0.3478 0.5630 0.3705 ( 12648 PWs) bands (ev): -16.5420 -16.5420 -16.3984 -16.3984 -16.3726 -16.3726 -16.3419 -16.3419 -13.7026 -13.7026 -13.6827 -13.6827 -2.6057 -2.6057 -2.4931 -2.4931 -1.4435 -1.4435 -1.3206 -1.3206 -1.2026 -1.2026 -1.0631 -1.0631 -1.0113 -1.0113 -0.7489 -0.7489 0.0171 0.0171 0.0959 0.0959 0.7407 0.7407 1.1625 1.1625 1.7058 1.7058 1.9650 1.9650 2.1963 2.1963 2.3486 2.3486 2.3577 2.3577 2.4401 2.4401 2.5703 2.5703 2.6410 2.6410 2.7531 2.7531 2.9049 2.9049 4.3685 4.3685 8.2128 8.2128 10.4292 10.4292 10.4907 10.4907 11.4938 11.4938 12.1580 12.1580 12.3046 12.3046 k = 0.3406 0.5791 0.3881 ( 12658 PWs) bands (ev): -16.5382 -16.5382 -16.3972 -16.3972 -16.3723 -16.3723 -16.3428 -16.3428 -13.7020 -13.7020 -13.6843 -13.6843 -2.6013 -2.6013 -2.5030 -2.5030 -1.4512 -1.4512 -1.3183 -1.3183 -1.1956 -1.1956 -1.0954 -1.0954 -1.0151 -1.0151 -0.7583 -0.7583 0.0126 0.0126 0.0719 0.0719 0.7286 0.7286 1.1604 1.1604 1.6984 1.6984 1.9663 1.9663 2.1816 2.1816 2.3511 2.3511 2.3571 2.3571 2.4498 2.4498 2.5801 2.5801 2.6384 2.6384 2.7615 2.7615 2.9092 2.9092 4.4273 4.4273 8.2773 8.2773 10.4526 10.4526 10.5273 10.5273 11.5177 11.5177 12.1781 12.1781 12.3244 12.3244 k = 0.3333 0.5952 0.4057 ( 12670 PWs) bands (ev): -16.5345 -16.5345 -16.3961 -16.3961 -16.3720 -16.3720 -16.3438 -16.3438 -13.7015 -13.7015 -13.6858 -13.6858 -2.5968 -2.5968 -2.5131 -2.5131 -1.4592 -1.4592 -1.3167 -1.3167 -1.1905 -1.1905 -1.1238 -1.1238 -1.0185 -1.0185 -0.7667 -0.7667 0.0074 0.0074 0.0518 0.0518 0.7173 0.7173 1.1581 1.1581 1.6907 1.6907 1.9671 1.9671 2.1673 2.1673 2.3472 2.3472 2.3626 2.3626 2.4591 2.4591 2.5875 2.5875 2.6377 2.6377 2.7685 2.7685 2.9149 2.9149 4.4819 4.4819 8.3414 8.3414 10.4713 10.4713 10.5614 10.5614 11.5439 11.5439 12.1922 12.1922 12.3427 12.3427 k = 0.3261 0.6113 0.4234 ( 12656 PWs) bands (ev): -16.5311 -16.5311 -16.3949 -16.3949 -16.3717 -16.3717 -16.3447 -16.3447 -13.7009 -13.7009 -13.6873 -13.6873 -2.5921 -2.5921 -2.5232 -2.5232 -1.4673 -1.4673 -1.3163 -1.3163 -1.1913 -1.1913 -1.1434 -1.1434 -1.0217 -1.0217 -0.7744 -0.7744 0.0004 0.0004 0.0367 0.0367 0.7071 0.7071 1.1556 1.1556 1.6826 1.6826 1.9677 1.9677 2.1534 2.1534 2.3424 2.3424 2.3686 2.3686 2.4679 2.4679 2.5915 2.5915 2.6399 2.6399 2.7741 2.7741 2.9217 2.9217 4.5321 4.5321 8.4046 8.4046 10.4852 10.4852 10.5927 10.5927 11.5723 11.5723 12.2004 12.2004 12.3595 12.3595 k = 0.3188 0.6274 0.4410 ( 12654 PWs) bands (ev): -16.5279 -16.5279 -16.3937 -16.3937 -16.3712 -16.3712 -16.3457 -16.3457 -13.7004 -13.7004 -13.6888 -13.6888 -2.5874 -2.5874 -2.5333 -2.5333 -1.4754 -1.4754 -1.3179 -1.3179 -1.2023 -1.2023 -1.1489 -1.1489 -1.0245 -1.0245 -0.7815 -0.7815 -0.0091 -0.0091 0.0273 0.0273 0.6979 0.6979 1.1530 1.1530 1.6741 1.6741 1.9680 1.9680 2.1403 2.1403 2.3374 2.3374 2.3746 2.3746 2.4760 2.4760 2.5925 2.5925 2.6449 2.6449 2.7787 2.7787 2.9292 2.9292 4.5779 4.5779 8.4659 8.4659 10.4943 10.4943 10.6209 10.6209 11.6028 11.6028 12.2041 12.2041 12.3746 12.3746 k = 0.3116 0.6434 0.4587 ( 12646 PWs) bands (ev): -16.5251 -16.5251 -16.3926 -16.3926 -16.3707 -16.3707 -16.3468 -16.3468 -13.6998 -13.6998 -13.6902 -13.6902 -2.5825 -2.5825 -2.5433 -2.5433 -1.4835 -1.4835 -1.3224 -1.3224 -1.2171 -1.2171 -1.1453 -1.1453 -1.0270 -1.0270 -0.7881 -0.7881 -0.0203 -0.0203 0.0226 0.0226 0.6898 0.6898 1.1504 1.1504 1.6654 1.6654 1.9681 1.9681 2.1279 2.1279 2.3324 2.3324 2.3803 2.3803 2.4831 2.4831 2.5914 2.5914 2.6517 2.6517 2.7825 2.7825 2.9372 2.9372 4.6192 4.6192 8.5247 8.5247 10.4985 10.4985 10.6458 10.6458 11.6354 11.6354 12.2050 12.2050 12.3881 12.3881 k = 0.3044 0.6595 0.4763 ( 12642 PWs) bands (ev): -16.5225 -16.5225 -16.3916 -16.3916 -16.3701 -16.3701 -16.3478 -16.3478 -13.6992 -13.6992 -13.6916 -13.6916 -2.5775 -2.5775 -2.5533 -2.5533 -1.4913 -1.4913 -1.3306 -1.3306 -1.2288 -1.2288 -1.1388 -1.1388 -1.0292 -1.0292 -0.7943 -0.7943 -0.0314 -0.0314 0.0207 0.0207 0.6827 0.6827 1.1477 1.1477 1.6563 1.6563 1.9679 1.9679 2.1164 2.1164 2.3276 2.3276 2.3857 2.3857 2.4891 2.4891 2.5896 2.5896 2.6593 2.6593 2.7856 2.7856 2.9452 2.9452 4.6559 4.6559 8.5799 8.5799 10.4978 10.4978 10.6671 10.6671 11.6696 11.6696 12.2053 12.2053 12.3999 12.3999 k = 0.2971 0.6756 0.4939 ( 12640 PWs) bands (ev): -16.5204 -16.5204 -16.3905 -16.3905 -16.3694 -16.3694 -16.3489 -16.3489 -13.6985 -13.6985 -13.6929 -13.6929 -2.5724 -2.5724 -2.5631 -2.5631 -1.4987 -1.4987 -1.3422 -1.3422 -1.2356 -1.2356 -1.1313 -1.1313 -1.0312 -1.0312 -0.8002 -0.8002 -0.0413 -0.0413 0.0206 0.0206 0.6768 0.6768 1.1450 1.1450 1.6470 1.6470 1.9674 1.9674 2.1060 2.1060 2.3231 2.3231 2.3907 2.3907 2.4938 2.4938 2.5878 2.5878 2.6670 2.6670 2.7883 2.7883 2.9529 2.9529 4.6881 4.6881 8.6306 8.6306 10.4927 10.4927 10.6850 10.6850 11.7053 11.7053 12.2070 12.2070 12.4100 12.4100 k = 0.2899 0.6917 0.5116 ( 12636 PWs) bands (ev): -16.5186 -16.5186 -16.3895 -16.3895 -16.3686 -16.3686 -16.3500 -16.3500 -13.6979 -13.6979 -13.6942 -13.6942 -2.5732 -2.5732 -2.5668 -2.5668 -1.5055 -1.5055 -1.3558 -1.3558 -1.2383 -1.2383 -1.1236 -1.1236 -1.0329 -1.0329 -0.8056 -0.8056 -0.0496 -0.0496 0.0217 0.0217 0.6720 0.6720 1.1424 1.1424 1.6374 1.6374 1.9666 1.9666 2.0966 2.0966 2.3189 2.3189 2.3953 2.3953 2.4970 2.4970 2.5866 2.5866 2.6746 2.6746 2.7906 2.7906 2.9601 2.9601 4.7157 4.7157 8.6760 8.6760 10.4833 10.4833 10.6994 10.6994 11.7419 11.7419 12.2119 12.2119 12.4184 12.4184 k = 0.2826 0.7078 0.5292 ( 12642 PWs) bands (ev): -16.5173 -16.5173 -16.3885 -16.3885 -16.3677 -16.3677 -16.3511 -16.3511 -13.6972 -13.6972 -13.6954 -13.6954 -2.5826 -2.5826 -2.5615 -2.5615 -1.5117 -1.5117 -1.3697 -1.3697 -1.2379 -1.2379 -1.1160 -1.1160 -1.0345 -1.0345 -0.8106 -0.8106 -0.0562 -0.0562 0.0238 0.0238 0.6683 0.6683 1.1399 1.1399 1.6277 1.6277 1.9654 1.9654 2.0886 2.0886 2.3150 2.3150 2.3994 2.3994 2.4984 2.4984 2.5863 2.5863 2.6818 2.6818 2.7927 2.7927 2.9665 2.9665 4.7388 4.7388 8.7149 8.7149 10.4704 10.4704 10.7102 10.7102 11.7791 11.7791 12.2211 12.2211 12.4253 12.4253 k = 0.2754 0.7239 0.5469 ( 12630 PWs) bands (ev): -16.5164 -16.5164 -16.3875 -16.3875 -16.3667 -16.3667 -16.3521 -16.3521 -13.6966 -13.6966 -13.6965 -13.6965 -2.5919 -2.5919 -2.5560 -2.5560 -1.5170 -1.5170 -1.3829 -1.3829 -1.2358 -1.2358 -1.1085 -1.1085 -1.0360 -1.0360 -0.8152 -0.8152 -0.0609 -0.0609 0.0268 0.0268 0.6658 0.6658 1.1376 1.1376 1.6178 1.6178 1.9640 1.9640 2.0818 2.0818 2.3116 2.3116 2.4031 2.4031 2.4983 2.4983 2.5869 2.5869 2.6887 2.6887 2.7947 2.7947 2.9719 2.9719 4.7575 4.7575 8.7464 8.7464 10.4547 10.4547 10.7178 10.7178 11.8163 11.8163 12.2357 12.2357 12.4312 12.4312 k = 0.2754 0.7239 0.5469 ( 12630 PWs) bands (ev): -16.5164 -16.5164 -16.3875 -16.3875 -16.3667 -16.3667 -16.3521 -16.3521 -13.6966 -13.6966 -13.6965 -13.6965 -2.5919 -2.5919 -2.5560 -2.5560 -1.5170 -1.5170 -1.3829 -1.3829 -1.2358 -1.2358 -1.1085 -1.1085 -1.0360 -1.0360 -0.8152 -0.8152 -0.0609 -0.0609 0.0268 0.0268 0.6658 0.6658 1.1376 1.1376 1.6178 1.6178 1.9640 1.9640 2.0818 2.0818 2.3116 2.3116 2.4031 2.4031 2.4983 2.4983 2.5869 2.5869 2.6887 2.6887 2.7947 2.7947 2.9719 2.9719 4.7575 4.7575 8.7464 8.7464 10.4547 10.4547 10.7178 10.7178 11.8163 11.8163 12.2357 12.2357 12.4312 12.4312 k = 0.2524 0.7192 0.5520 ( 12638 PWs) bands (ev): -16.5163 -16.5163 -16.3872 -16.3872 -16.3663 -16.3663 -16.3524 -16.3524 -13.6969 -13.6969 -13.6962 -13.6962 -2.5945 -2.5945 -2.5544 -2.5544 -1.5180 -1.5180 -1.3863 -1.3863 -1.2359 -1.2359 -1.1088 -1.1088 -1.0339 -1.0339 -0.8162 -0.8162 -0.0625 -0.0625 0.0291 0.0291 0.6655 0.6655 1.1369 1.1369 1.6130 1.6130 1.9639 1.9639 2.0800 2.0800 2.3107 2.3107 2.4039 2.4039 2.4990 2.4990 2.5872 2.5872 2.6905 2.6905 2.7951 2.7951 2.9733 2.9733 4.7622 4.7622 8.7541 8.7541 10.4502 10.4502 10.7180 10.7180 11.8282 11.8282 12.2403 12.2403 12.4328 12.4328 k = 0.2295 0.7145 0.5572 ( 12634 PWs) bands (ev): -16.5163 -16.5163 -16.3870 -16.3870 -16.3659 -16.3659 -16.3528 -16.3528 -13.6973 -13.6973 -13.6960 -13.6960 -2.5969 -2.5969 -2.5530 -2.5530 -1.5183 -1.5183 -1.3890 -1.3890 -1.2381 -1.2381 -1.1133 -1.1133 -1.0276 -1.0276 -0.8166 -0.8166 -0.0647 -0.0647 0.0341 0.0341 0.6658 0.6658 1.1361 1.1361 1.6048 1.6048 1.9645 1.9645 2.0782 2.0782 2.3099 2.3099 2.4043 2.4043 2.5018 2.5018 2.5874 2.5874 2.6919 2.6919 2.7954 2.7954 2.9748 2.9748 4.7667 4.7667 8.7611 8.7611 10.4467 10.4467 10.7155 10.7155 11.8420 11.8420 12.2438 12.2438 12.4343 12.4343 k = 0.2065 0.7098 0.5623 ( 12642 PWs) bands (ev): -16.5163 -16.5163 -16.3867 -16.3867 -16.3654 -16.3654 -16.3532 -16.3532 -13.6977 -13.6977 -13.6957 -13.6957 -2.5991 -2.5991 -2.5519 -2.5519 -1.5180 -1.5180 -1.3908 -1.3908 -1.2426 -1.2426 -1.1198 -1.1198 -1.0193 -1.0193 -0.8164 -0.8164 -0.0674 -0.0674 0.0412 0.0412 0.6667 0.6667 1.1352 1.1352 1.5935 1.5935 1.9657 1.9657 2.0763 2.0763 2.3091 2.3091 2.4044 2.4044 2.5063 2.5063 2.5875 2.5875 2.6929 2.6929 2.7955 2.7955 2.9762 2.9762 4.7710 4.7710 8.7674 8.7674 10.4442 10.4442 10.7106 10.7106 11.8570 11.8570 12.2466 12.2466 12.4359 12.4359 k = 0.1836 0.7051 0.5674 ( 12641 PWs) bands (ev): -16.5164 -16.5164 -16.3865 -16.3865 -16.3648 -16.3648 -16.3536 -16.3536 -13.6981 -13.6981 -13.6955 -13.6955 -2.6009 -2.6009 -2.5510 -2.5510 -1.5170 -1.5170 -1.3918 -1.3918 -1.2493 -1.2493 -1.1264 -1.1264 -1.0105 -1.0105 -0.8156 -0.8156 -0.0703 -0.0703 0.0497 0.0497 0.6680 0.6680 1.1344 1.1344 1.5800 1.5800 1.9673 1.9673 2.0744 2.0744 2.3083 2.3083 2.4043 2.4043 2.5123 2.5123 2.5873 2.5873 2.6935 2.6935 2.7955 2.7955 2.9777 2.9777 4.7750 4.7750 8.7731 8.7731 10.4427 10.4427 10.7038 10.7038 11.8723 11.8723 12.2495 12.2495 12.4374 12.4374 k = 0.1606 0.7004 0.5726 ( 12647 PWs) bands (ev): -16.5165 -16.5165 -16.3863 -16.3863 -16.3641 -16.3641 -16.3540 -16.3540 -13.6984 -13.6984 -13.6953 -13.6953 -2.6024 -2.6024 -2.5503 -2.5503 -1.5156 -1.5156 -1.3918 -1.3918 -1.2581 -1.2581 -1.1323 -1.1323 -1.0023 -1.0023 -0.8144 -0.8144 -0.0731 -0.0731 0.0591 0.0591 0.6698 0.6698 1.1335 1.1335 1.5650 1.5650 1.9693 1.9693 2.0725 2.0725 2.3076 2.3076 2.4041 2.4041 2.5194 2.5194 2.5870 2.5870 2.6938 2.6938 2.7953 2.7953 2.9790 2.9790 4.7787 4.7787 8.7782 8.7782 10.4422 10.4422 10.6957 10.6957 11.8868 11.8868 12.2538 12.2538 12.4391 12.4391 k = 0.1377 0.6957 0.5777 ( 12657 PWs) bands (ev): -16.5166 -16.5166 -16.3861 -16.3861 -16.3634 -16.3634 -16.3545 -16.3545 -13.6986 -13.6986 -13.6951 -13.6951 -2.6035 -2.6035 -2.5499 -2.5499 -1.5139 -1.5139 -1.3907 -1.3907 -1.2687 -1.2687 -1.1369 -1.1369 -0.9950 -0.9950 -0.8129 -0.8129 -0.0756 -0.0756 0.0688 0.0688 0.6718 0.6718 1.1326 1.1326 1.5494 1.5494 1.9713 1.9713 2.0706 2.0706 2.3069 2.3069 2.4039 2.4039 2.5270 2.5270 2.5863 2.5863 2.6937 2.6937 2.7951 2.7951 2.9803 2.9803 4.7821 4.7821 8.7827 8.7827 10.4426 10.4426 10.6869 10.6869 11.8994 11.8994 12.2605 12.2605 12.4411 12.4411 k = 0.1147 0.6910 0.5829 ( 12656 PWs) bands (ev): -16.5168 -16.5168 -16.3860 -16.3860 -16.3627 -16.3627 -16.3550 -16.3550 -13.6989 -13.6989 -13.6949 -13.6949 -2.6044 -2.6044 -2.5497 -2.5497 -1.5121 -1.5121 -1.3885 -1.3885 -1.2804 -1.2804 -1.1403 -1.1403 -0.9890 -0.9890 -0.8112 -0.8112 -0.0779 -0.0779 0.0782 0.0782 0.6740 0.6740 1.1317 1.1317 1.5342 1.5342 1.9733 1.9733 2.0689 2.0689 2.3063 2.3063 2.4039 2.4039 2.5348 2.5348 2.5854 2.5854 2.6933 2.6933 2.7948 2.7948 2.9814 2.9814 4.7851 4.7851 8.7865 8.7865 10.4436 10.4436 10.6779 10.6779 11.9095 11.9095 12.2704 12.2704 12.4436 12.4436 k = 0.0918 0.6863 0.5880 ( 12653 PWs) bands (ev): -16.5169 -16.5169 -16.3859 -16.3859 -16.3619 -16.3619 -16.3555 -16.3555 -13.6990 -13.6990 -13.6948 -13.6948 -2.6050 -2.6050 -2.5496 -2.5496 -1.5102 -1.5102 -1.3851 -1.3851 -1.2926 -1.2926 -1.1427 -1.1427 -0.9843 -0.9843 -0.8094 -0.8094 -0.0797 -0.0797 0.0868 0.0868 0.6762 0.6762 1.1310 1.1310 1.5203 1.5203 1.9751 1.9751 2.0674 2.0674 2.3058 2.3058 2.4039 2.4039 2.5424 2.5424 2.5842 2.5842 2.6928 2.6928 2.7945 2.7945 2.9824 2.9824 4.7876 4.7876 8.7897 8.7897 10.4450 10.4450 10.6694 10.6694 11.9168 11.9168 12.2832 12.2832 12.4469 12.4469 k = 0.0688 0.6816 0.5932 ( 12655 PWs) bands (ev): -16.5170 -16.5170 -16.3858 -16.3858 -16.3612 -16.3612 -16.3560 -16.3560 -13.6992 -13.6992 -13.6947 -13.6947 -2.6055 -2.6055 -2.5495 -2.5495 -1.5086 -1.5086 -1.3808 -1.3808 -1.3045 -1.3045 -1.1442 -1.1442 -0.9807 -0.9807 -0.8078 -0.8078 -0.0812 -0.0812 0.0940 0.0940 0.6781 0.6781 1.1303 1.1303 1.5084 1.5084 1.9766 1.9766 2.0661 2.0661 2.3054 2.3054 2.4040 2.4040 2.5494 2.5494 2.5825 2.5825 2.6922 2.6922 2.7942 2.7942 2.9831 2.9831 4.7896 4.7896 8.7922 8.7922 10.4466 10.4466 10.6621 10.6621 11.9215 11.9215 12.2976 12.2976 12.4514 12.4514 k = 0.0459 0.6769 0.5983 ( 12660 PWs) bands (ev): -16.5171 -16.5171 -16.3858 -16.3858 -16.3606 -16.3606 -16.3565 -16.3565 -13.6993 -13.6993 -13.6946 -13.6946 -2.6058 -2.6058 -2.5496 -2.5496 -1.5073 -1.5073 -1.3759 -1.3759 -1.3152 -1.3152 -1.1452 -1.1452 -0.9782 -0.9782 -0.8066 -0.8066 -0.0823 -0.0823 0.0994 0.0994 0.6797 0.6797 1.1299 1.1299 1.4995 1.4995 1.9777 1.9777 2.0652 2.0652 2.3050 2.3050 2.4041 2.4041 2.5553 2.5553 2.5807 2.5807 2.6916 2.6916 2.7940 2.7940 2.9837 2.9837 4.7910 4.7910 8.7941 8.7941 10.4481 10.4481 10.6563 10.6563 11.9241 11.9241 12.3113 12.3113 12.4576 12.4576 k = 0.0229 0.6722 0.6035 ( 12656 PWs) bands (ev): -16.5172 -16.5172 -16.3857 -16.3857 -16.3601 -16.3601 -16.3569 -16.3569 -13.6994 -13.6994 -13.6946 -13.6946 -2.6059 -2.6059 -2.5496 -2.5496 -1.5065 -1.5065 -1.3715 -1.3715 -1.3233 -1.3233 -1.1458 -1.1458 -0.9768 -0.9768 -0.8058 -0.8058 -0.0829 -0.0829 0.1029 0.1029 0.6807 0.6807 1.1296 1.1296 1.4938 1.4938 1.9784 1.9784 2.0646 2.0646 2.3048 2.3048 2.4041 2.4041 2.5597 2.5597 2.5789 2.5789 2.6913 2.6913 2.7938 2.7938 2.9841 2.9841 4.7919 4.7919 8.7952 8.7952 10.4491 10.4491 10.6527 10.6527 11.9254 11.9254 12.3213 12.3213 12.4647 12.4647 k = 0.0000 0.6675 0.6086 ( 12656 PWs) bands (ev): -16.5172 -16.5172 -16.3857 -16.3857 -16.3599 -16.3599 -16.3571 -16.3571 -13.6994 -13.6994 -13.6946 -13.6946 -2.6060 -2.6060 -2.5496 -2.5496 -1.5062 -1.5062 -1.3696 -1.3696 -1.3264 -1.3264 -1.1459 -1.1459 -0.9763 -0.9763 -0.8055 -0.8055 -0.0831 -0.0831 0.1040 0.1040 0.6810 0.6810 1.1295 1.1295 1.4919 1.4919 1.9787 1.9787 2.0644 2.0644 2.3048 2.3048 2.4042 2.4042 2.5614 2.5614 2.5781 2.5781 2.6911 2.6911 2.7938 2.7938 2.9842 2.9842 4.7922 4.7922 8.7955 8.7955 10.4494 10.4494 10.6514 10.6514 11.9258 11.9258 12.3250 12.3250 12.4686 12.4687 k = 0.0000 0.6675 0.6086 ( 12656 PWs) bands (ev): -16.5172 -16.5172 -16.3857 -16.3857 -16.3599 -16.3599 -16.3571 -16.3571 -13.6994 -13.6994 -13.6946 -13.6946 -2.6060 -2.6060 -2.5496 -2.5496 -1.5062 -1.5062 -1.3696 -1.3696 -1.3264 -1.3264 -1.1459 -1.1459 -0.9763 -0.9763 -0.8055 -0.8055 -0.0831 -0.0831 0.1040 0.1040 0.6810 0.6810 1.1295 1.1295 1.4919 1.4919 1.9787 1.9787 2.0644 2.0644 2.3048 2.3048 2.4042 2.4042 2.5614 2.5614 2.5781 2.5781 2.6911 2.6911 2.7938 2.7938 2.9842 2.9842 4.7922 4.7922 8.7955 8.7955 10.4494 10.4494 10.6514 10.6514 11.9258 11.9258 12.3250 12.3250 12.4686 12.4687 k = 0.0074 0.6512 0.6265 ( 12650 PWs) bands (ev): -16.5170 -16.5170 -16.3857 -16.3857 -16.3598 -16.3598 -16.3571 -16.3571 -13.6994 -13.6994 -13.6945 -13.6945 -2.6065 -2.6065 -2.5497 -2.5497 -1.5064 -1.5064 -1.3722 -1.3722 -1.3251 -1.3251 -1.1465 -1.1465 -0.9787 -0.9787 -0.8042 -0.8042 -0.0828 -0.0828 0.1041 0.1041 0.6803 0.6803 1.1172 1.1172 1.4914 1.4914 1.9855 1.9855 2.0667 2.0667 2.3102 2.3102 2.4045 2.4045 2.5605 2.5605 2.5798 2.5798 2.6911 2.6911 2.7967 2.7967 2.9847 2.9847 4.7922 4.7922 8.7964 8.7964 10.4519 10.4519 10.6515 10.6515 11.9248 11.9248 12.2991 12.2991 12.4506 12.4506 k = 0.0147 0.6349 0.6444 ( 12644 PWs) bands (ev): -16.5167 -16.5167 -16.3857 -16.3857 -16.3598 -16.3598 -16.3569 -16.3569 -13.6994 -13.6994 -13.6943 -13.6943 -2.6082 -2.6082 -2.5501 -2.5501 -1.5072 -1.5072 -1.3791 -1.3791 -1.3221 -1.3221 -1.1484 -1.1484 -0.9856 -0.9856 -0.8007 -0.8007 -0.0820 -0.0820 0.1045 0.1045 0.6781 0.6781 1.0824 1.0824 1.4906 1.4906 2.0028 2.0028 2.0741 2.0741 2.3268 2.3268 2.4056 2.4056 2.5586 2.5586 2.5842 2.5842 2.6912 2.6912 2.8058 2.8058 2.9864 2.9864 4.7922 4.7922 8.7988 8.7988 10.4591 10.4591 10.6516 10.6516 11.9213 11.9213 12.2396 12.2396 12.4335 12.4335 k = 0.0221 0.6186 0.6623 ( 12648 PWs) bands (ev): -16.5161 -16.5161 -16.3856 -16.3856 -16.3597 -16.3597 -16.3568 -16.3568 -13.6994 -13.6994 -13.6940 -13.6940 -2.6109 -2.6109 -2.5507 -2.5507 -1.5085 -1.5085 -1.3889 -1.3889 -1.3186 -1.3186 -1.1515 -1.1515 -0.9960 -0.9960 -0.7956 -0.7956 -0.0809 -0.0809 0.1052 0.1052 0.6744 0.6744 1.0296 1.0296 1.4904 1.4904 2.0234 2.0234 2.0868 2.0868 2.3541 2.3541 2.4080 2.4080 2.5569 2.5569 2.5905 2.5905 2.6913 2.6913 2.8217 2.8217 2.9892 2.9892 4.7922 4.7922 8.8030 8.8030 10.4711 10.4711 10.6518 10.6518 11.9129 11.9129 12.1709 12.1709 12.4179 12.4179 k = 0.0294 0.6023 0.6802 ( 12650 PWs) bands (ev): -16.5153 -16.5153 -16.3856 -16.3856 -16.3596 -16.3596 -16.3565 -16.3565 -13.6993 -13.6993 -13.6936 -13.6936 -2.6146 -2.6146 -2.5517 -2.5517 -1.5103 -1.5103 -1.4008 -1.4008 -1.3155 -1.3155 -1.1562 -1.1562 -1.0089 -1.0089 -0.7898 -0.7898 -0.0798 -0.0798 0.1061 0.1061 0.6693 0.6693 0.9642 0.9642 1.4916 1.4916 2.0419 2.0419 2.1037 2.1037 2.3872 2.3872 2.4152 2.4152 2.5560 2.5560 2.5982 2.5982 2.6915 2.6915 2.8455 2.8455 2.9932 2.9932 4.7921 4.7921 8.8088 8.8088 10.4876 10.4876 10.6519 10.6519 11.8940 11.8940 12.1077 12.1077 12.4004 12.4004 k = 0.0368 0.5859 0.6981 ( 12648 PWs) bands (ev): -16.5142 -16.5142 -16.3855 -16.3855 -16.3594 -16.3594 -16.3562 -16.3562 -13.6993 -13.6993 -13.6931 -13.6931 -2.6194 -2.6194 -2.5529 -2.5529 -1.5128 -1.5128 -1.4142 -1.4142 -1.3132 -1.3132 -1.1624 -1.1624 -1.0232 -1.0232 -0.7839 -0.7839 -0.0789 -0.0789 0.1074 0.1074 0.6626 0.6626 0.8916 0.8916 1.4942 1.4942 2.0580 2.0580 2.1219 2.1219 2.4042 2.4042 2.4443 2.4443 2.5571 2.5571 2.6070 2.6070 2.6921 2.6921 2.8787 2.8787 2.9990 2.9990 4.7921 4.7921 8.8163 8.8163 10.5084 10.5084 10.6517 10.6517 11.8566 11.8566 12.0611 12.0611 12.3802 12.3802 k = 0.0441 0.5696 0.7160 ( 12660 PWs) bands (ev): -16.5129 -16.5129 -16.3854 -16.3854 -16.3592 -16.3592 -16.3558 -16.3558 -13.6993 -13.6993 -13.6925 -13.6925 -2.6250 -2.6250 -2.5545 -2.5545 -1.5159 -1.5159 -1.4287 -1.4287 -1.3119 -1.3119 -1.1705 -1.1705 -1.0381 -1.0381 -0.7787 -0.7787 -0.0789 -0.0789 0.1092 0.1092 0.6540 0.6540 0.8161 0.8161 1.4980 1.4980 2.0733 2.0733 2.1391 2.1391 2.4098 2.4098 2.4829 2.4829 2.5627 2.5627 2.6169 2.6169 2.6932 2.6932 2.9217 2.9217 3.0077 3.0077 4.7920 4.7920 8.8255 8.8255 10.5331 10.5331 10.6511 10.6511 11.7984 11.7984 12.0350 12.0350 12.3578 12.3578 k = 0.0515 0.5533 0.7339 ( 12658 PWs) bands (ev): -16.5114 -16.5114 -16.3852 -16.3852 -16.3590 -16.3590 -16.3554 -16.3554 -13.6992 -13.6992 -13.6918 -13.6918 -2.6314 -2.6314 -2.5564 -2.5564 -1.5199 -1.5199 -1.4441 -1.4441 -1.3119 -1.3119 -1.1802 -1.1802 -1.0528 -1.0528 -0.7743 -0.7743 -0.0802 -0.0802 0.1113 0.1113 0.6412 0.6412 0.7430 0.7430 1.5029 1.5029 2.0887 2.0887 2.1549 2.1549 2.4143 2.4143 2.5105 2.5105 2.5774 2.5774 2.6278 2.6278 2.6954 2.6954 2.9689 2.9689 3.0266 3.0266 4.7920 4.7920 8.8364 8.8364 10.5611 10.5611 10.6500 10.6500 11.7265 11.7265 12.0223 12.0223 12.3337 12.3337 k = 0.0588 0.5370 0.7518 ( 12654 PWs) bands (ev): -16.5098 -16.5098 -16.3851 -16.3851 -16.3587 -16.3587 -16.3549 -16.3549 -13.6992 -13.6992 -13.6910 -13.6910 -2.6386 -2.6386 -2.5587 -2.5587 -1.5248 -1.5248 -1.4600 -1.4600 -1.3134 -1.3134 -1.1915 -1.1915 -1.0669 -1.0669 -0.7713 -0.7713 -0.0837 -0.0837 0.1140 0.1140 0.6151 0.6151 0.6843 0.6843 1.5086 1.5086 2.1049 2.1049 2.1697 2.1697 2.4192 2.4192 2.5235 2.5235 2.6000 2.6000 2.6397 2.6397 2.6992 2.6992 2.9980 2.9980 3.0774 3.0774 4.7919 4.7919 8.8491 8.8491 10.5914 10.5914 10.6486 10.6486 11.6487 11.6487 12.0155 12.0155 12.3085 12.3085 k = 0.0662 0.5207 0.7697 ( 12652 PWs) bands (ev): -16.5079 -16.5079 -16.3850 -16.3850 -16.3584 -16.3584 -16.3544 -16.3544 -13.6992 -13.6992 -13.6901 -13.6901 -2.6464 -2.6464 -2.5613 -2.5613 -1.5309 -1.5309 -1.4761 -1.4761 -1.3164 -1.3164 -1.2037 -1.2037 -1.0802 -1.0802 -0.7699 -0.7699 -0.0900 -0.0900 0.1173 0.1173 0.5628 0.5628 0.6550 0.6550 1.5148 1.5148 2.1219 2.1219 2.1838 2.1838 2.4247 2.4247 2.5293 2.5293 2.6207 2.6207 2.6534 2.6534 2.7056 2.7056 3.0116 3.0116 3.1555 3.1555 4.7918 4.7918 8.8636 8.8636 10.6206 10.6206 10.6493 10.6493 11.5693 11.5693 12.0097 12.0097 12.2831 12.2831 k = 0.0735 0.5043 0.7876 ( 12646 PWs) bands (ev): -16.5059 -16.5059 -16.3848 -16.3848 -16.3581 -16.3581 -16.3538 -16.3538 -13.6991 -13.6991 -13.6891 -13.6891 -2.6549 -2.6549 -2.5643 -2.5643 -1.5386 -1.5386 -1.4922 -1.4922 -1.3213 -1.3213 -1.2162 -1.2162 -1.0927 -1.0927 -0.7703 -0.7703 -0.1000 -0.1000 0.1211 0.1211 0.5006 0.5006 0.6405 0.6405 1.5215 1.5215 2.1397 2.1397 2.1977 2.1977 2.4309 2.4309 2.5330 2.5330 2.6341 2.6341 2.6694 2.6694 2.7152 2.7152 3.0220 3.0220 3.2459 3.2459 4.7917 4.7917 8.8800 8.8800 10.6320 10.6320 10.6673 10.6673 11.4909 11.4909 12.0018 12.0018 12.2580 12.2580 k = 0.0809 0.4880 0.8055 ( 12642 PWs) bands (ev): -16.5038 -16.5038 -16.3846 -16.3846 -16.3577 -16.3577 -16.3532 -16.3532 -13.6991 -13.6991 -13.6880 -13.6880 -2.6638 -2.6638 -2.5676 -2.5676 -1.5481 -1.5481 -1.5077 -1.5077 -1.3282 -1.3282 -1.2282 -1.2282 -1.1046 -1.1046 -0.7726 -0.7726 -0.1142 -0.1142 0.1254 0.1254 0.4413 0.4413 0.6298 0.6298 1.5286 1.5286 2.1583 2.1583 2.2116 2.2116 2.4378 2.4378 2.5362 2.5362 2.6411 2.6411 2.6864 2.6864 2.7277 2.7277 3.0318 3.0318 3.3432 3.3432 4.7917 4.7917 8.8982 8.8982 10.6281 10.6281 10.6985 10.6985 11.4153 11.4153 11.9900 11.9900 12.2342 12.2342 k = 0.0882 0.4717 0.8234 ( 12630 PWs) bands (ev): -16.5015 -16.5015 -16.3845 -16.3845 -16.3573 -16.3573 -16.3525 -16.3525 -13.6990 -13.6990 -13.6869 -13.6869 -2.6733 -2.6733 -2.5712 -2.5712 -1.5599 -1.5599 -1.5224 -1.5224 -1.3370 -1.3370 -1.2392 -1.2392 -1.1160 -1.1160 -0.7772 -0.7772 -0.1331 -0.1331 0.1301 0.1301 0.3886 0.3886 0.6205 0.6205 1.5358 1.5358 2.1775 2.1775 2.2255 2.2255 2.4453 2.4453 2.5398 2.5398 2.6444 2.6444 2.7032 2.7032 2.7420 2.7420 3.0418 3.0418 3.4442 3.4442 4.7916 4.7916 8.9182 8.9182 10.6204 10.6204 10.7293 10.7293 11.3442 11.3442 11.9732 11.9732 12.2119 12.2119 k = 0.0956 0.4554 0.8413 ( 12646 PWs) bands (ev): -16.4992 -16.4992 -16.3843 -16.3843 -16.3569 -16.3569 -16.3518 -16.3518 -13.6989 -13.6989 -13.6857 -13.6857 -2.6831 -2.6831 -2.5751 -2.5751 -1.5737 -1.5737 -1.5364 -1.5364 -1.3474 -1.3474 -1.2488 -1.2488 -1.1271 -1.1271 -0.7843 -0.7843 -0.1566 -0.1566 0.1350 0.1350 0.3440 0.3440 0.6118 0.6118 1.5430 1.5430 2.1971 2.1971 2.2395 2.2395 2.4534 2.4534 2.5439 2.5439 2.6453 2.6453 2.7197 2.7197 2.7571 2.7571 3.0520 3.0520 3.5471 3.5471 4.7916 4.7916 8.9401 8.9401 10.6104 10.6104 10.7552 10.7552 11.2797 11.2797 11.9519 11.9519 12.1916 12.1916 k = 0.1029 0.4390 0.8592 ( 12642 PWs) bands (ev): -16.4968 -16.4968 -16.3841 -16.3841 -16.3564 -16.3564 -16.3511 -16.3511 -13.6989 -13.6989 -13.6845 -13.6845 -2.6931 -2.6931 -2.5792 -2.5792 -1.5893 -1.5893 -1.5500 -1.5500 -1.3587 -1.3587 -1.2573 -1.2573 -1.1380 -1.1380 -0.7940 -0.7940 -0.1840 -0.1840 0.1399 0.1399 0.3077 0.3077 0.6037 0.6037 1.5503 1.5503 2.2169 2.2169 2.2536 2.2536 2.4619 2.4619 2.5488 2.5488 2.6450 2.6450 2.7360 2.7360 2.7722 2.7722 3.0625 3.0625 3.6504 3.6504 4.7916 4.7916 8.9639 8.9639 10.5982 10.5982 10.7724 10.7724 11.2241 11.2241 11.9278 11.9278 12.1731 12.1731 k = 0.1103 0.4227 0.8771 ( 12642 PWs) bands (ev): -16.4943 -16.4943 -16.3839 -16.3839 -16.3559 -16.3559 -16.3503 -16.3503 -13.6988 -13.6988 -13.6833 -13.6833 -2.7034 -2.7034 -2.5836 -2.5836 -1.6060 -1.6060 -1.5637 -1.5637 -1.3703 -1.3703 -1.2649 -1.2649 -1.1487 -1.1487 -0.8066 -0.8066 -0.2139 -0.2139 0.1446 0.1446 0.2792 0.2792 0.5960 0.5960 1.5574 1.5574 2.2368 2.2368 2.2678 2.2678 2.4709 2.4709 2.5545 2.5545 2.6438 2.6438 2.7522 2.7522 2.7872 2.7872 3.0733 3.0733 3.7529 3.7529 4.7916 4.7916 8.9896 8.9896 10.5839 10.5839 10.7771 10.7771 11.1797 11.1797 11.9040 11.9040 12.1564 12.1564 k = 0.1176 0.4064 0.8950 ( 12646 PWs) bands (ev): -16.4918 -16.4918 -16.3837 -16.3837 -16.3554 -16.3554 -16.3495 -16.3495 -13.6988 -13.6988 -13.6820 -13.6820 -2.7138 -2.7138 -2.5881 -2.5881 -1.6232 -1.6232 -1.5781 -1.5781 -1.3816 -1.3816 -1.2721 -1.2721 -1.1593 -1.1593 -0.8220 -0.8220 -0.2447 -0.2447 0.1488 0.1488 0.2577 0.2577 0.5888 0.5888 1.5644 1.5644 2.2566 2.2566 2.2821 2.2821 2.4802 2.4802 2.5609 2.5609 2.6420 2.6420 2.7680 2.7680 2.8018 2.8018 3.0843 3.0843 3.8536 3.8536 4.7917 4.7917 9.0171 9.0171 10.5675 10.5675 10.7665 10.7665 11.1474 11.1474 11.8836 11.8836 12.1418 12.1418 k = 0.1250 0.3901 0.9129 ( 12656 PWs) bands (ev): -16.4892 -16.4892 -16.3836 -16.3836 -16.3549 -16.3549 -16.3487 -16.3487 -13.6987 -13.6987 -13.6807 -13.6807 -2.7243 -2.7243 -2.5927 -2.5927 -1.6407 -1.6407 -1.5931 -1.5931 -1.3920 -1.3920 -1.2792 -1.2792 -1.1696 -1.1696 -0.8403 -0.8403 -0.2750 -0.2750 0.1522 0.1522 0.2421 0.2421 0.5820 0.5820 1.5712 1.5712 2.2762 2.2762 2.2964 2.2964 2.4896 2.4896 2.5679 2.5679 2.6399 2.6399 2.7835 2.7835 2.8161 2.8161 3.0953 3.0953 3.9518 3.9518 4.7918 4.7918 9.0464 9.0464 10.5490 10.5490 10.7415 10.7415 11.1247 11.1247 11.8699 11.8699 12.1293 12.1293 k = 0.1324 0.3738 0.9308 ( 12654 PWs) bands (ev): -16.4867 -16.4867 -16.3834 -16.3834 -16.3543 -16.3543 -16.3479 -16.3479 -13.6986 -13.6986 -13.6794 -13.6794 -2.7347 -2.7347 -2.5975 -2.5975 -1.6581 -1.6581 -1.6087 -1.6087 -1.4013 -1.4013 -1.2865 -1.2865 -1.1797 -1.1797 -0.8611 -0.8611 -0.3035 -0.3035 0.1546 0.1546 0.2314 0.2314 0.5756 0.5756 1.5778 1.5778 2.2953 2.2953 2.3107 2.3107 2.4992 2.4992 2.5755 2.5755 2.6376 2.6376 2.7985 2.7985 2.8300 2.8300 3.1064 3.1064 4.0468 4.0468 4.7920 4.7920 9.0773 9.0773 10.5285 10.5285 10.7059 10.7059 11.1065 11.1065 11.8653 11.8653 12.1196 12.1196 k = 0.1397 0.3574 0.9487 ( 12640 PWs) bands (ev): -16.4842 -16.4842 -16.3832 -16.3832 -16.3538 -16.3538 -16.3471 -16.3471 -13.6986 -13.6986 -13.6782 -13.6782 -2.7450 -2.7450 -2.6022 -2.6022 -1.6753 -1.6753 -1.6248 -1.6248 -1.4095 -1.4095 -1.2943 -1.2943 -1.1895 -1.1895 -0.8839 -0.8839 -0.3293 -0.3293 0.1559 0.1559 0.2246 0.2246 0.5697 0.5697 1.5840 1.5840 2.3136 2.3136 2.3251 2.3251 2.5087 2.5087 2.5834 2.5834 2.6352 2.6352 2.8128 2.8128 2.8436 2.8436 3.1175 3.1175 4.1381 4.1381 4.7924 4.7924 9.1098 9.1098 10.5057 10.5057 10.6644 10.6644 11.0879 11.0879 11.8706 11.8706 12.1132 12.1132 k = 0.1471 0.3411 0.9666 ( 12648 PWs) bands (ev): -16.4818 -16.4818 -16.3830 -16.3830 -16.3533 -16.3533 -16.3463 -16.3463 -13.6985 -13.6985 -13.6769 -13.6769 -2.7551 -2.7551 -2.6070 -2.6070 -1.6921 -1.6921 -1.6411 -1.6411 -1.4166 -1.4166 -1.3026 -1.3026 -1.1988 -1.1988 -0.9082 -0.9082 -0.3520 -0.3520 0.1562 0.1562 0.2209 0.2209 0.5642 0.5642 1.5899 1.5899 2.3306 2.3306 2.3399 2.3399 2.5183 2.5183 2.5914 2.5914 2.6330 2.6330 2.8263 2.8263 2.8568 2.8568 3.1284 3.1284 4.2251 4.2251 4.7929 4.7929 9.1436 9.1436 10.4808 10.4808 10.6207 10.6207 11.0662 11.0662 11.8856 11.8856 12.1106 12.1106 k = 0.1544 0.3248 0.9845 ( 12642 PWs) bands (ev): -16.4794 -16.4794 -16.3829 -16.3829 -16.3527 -16.3527 -16.3455 -16.3455 -13.6984 -13.6984 -13.6757 -13.6757 -2.7649 -2.7649 -2.6117 -2.6117 -1.7085 -1.7085 -1.6573 -1.6573 -1.4225 -1.4225 -1.3116 -1.3116 -1.2079 -1.2079 -0.9331 -0.9331 -0.3716 -0.3716 0.1558 0.1558 0.2195 0.2195 0.5591 0.5591 1.5954 1.5954 2.3458 2.3458 2.3554 2.3554 2.5276 2.5276 2.5993 2.5993 2.6310 2.6310 2.8389 2.8389 2.8697 2.8697 3.1391 3.1391 4.3073 4.3073 4.7936 4.7936 9.1787 9.1787 10.4535 10.4535 10.5777 10.5777 11.0404 11.0404 11.9083 11.9083 12.1128 12.1128 k = 0.1618 0.3085 1.0024 ( 12638 PWs) bands (ev): -16.4772 -16.4772 -16.3827 -16.3827 -16.3522 -16.3522 -16.3448 -16.3448 -13.6984 -13.6984 -13.6745 -13.6745 -2.7743 -2.7743 -2.6162 -2.6162 -1.7242 -1.7242 -1.6733 -1.6733 -1.4275 -1.4275 -1.3212 -1.3212 -1.2166 -1.2166 -0.9578 -0.9578 -0.3882 -0.3882 0.1548 0.1548 0.2194 0.2194 0.5545 0.5545 1.6006 1.6006 2.3594 2.3594 2.3713 2.3713 2.5367 2.5367 2.6064 2.6064 2.6297 2.6297 2.8507 2.8507 2.8821 2.8821 3.1494 3.1494 4.3843 4.3843 4.7946 4.7946 9.2147 9.2147 10.4238 10.4238 10.5370 10.5370 11.0113 11.0113 11.9362 11.9362 12.1205 12.1205 k = 0.1691 0.2922 1.0203 ( 12648 PWs) bands (ev): -16.4750 -16.4750 -16.3826 -16.3826 -16.3517 -16.3517 -16.3440 -16.3440 -13.6983 -13.6983 -13.6734 -13.6734 -2.7833 -2.7833 -2.6207 -2.6207 -1.7391 -1.7391 -1.6886 -1.6886 -1.4316 -1.4316 -1.3313 -1.3313 -1.2251 -1.2251 -0.9816 -0.9816 -0.4021 -0.4021 0.1537 0.1537 0.2203 0.2203 0.5502 0.5502 1.6053 1.6053 2.3718 2.3718 2.3869 2.3869 2.5455 2.5455 2.6118 2.6118 2.6300 2.6300 2.8615 2.8615 2.8940 2.8940 3.1593 3.1593 4.4555 4.4555 4.7961 4.7961 9.2513 9.2513 10.3920 10.3920 10.4997 10.4997 10.9800 10.9800 11.9664 11.9664 12.1348 12.1348 k = 0.1765 0.2758 1.0382 ( 12642 PWs) bands (ev): -16.4730 -16.4730 -16.3825 -16.3825 -16.3512 -16.3512 -16.3433 -16.3433 -13.6983 -13.6983 -13.6723 -13.6723 -2.7919 -2.7919 -2.6249 -2.6249 -1.7533 -1.7533 -1.7032 -1.7032 -1.4349 -1.4349 -1.3417 -1.3417 -1.2334 -1.2334 -1.0038 -1.0038 -0.4136 -0.4136 0.1526 0.1526 0.2215 0.2215 0.5463 0.5463 1.6096 1.6096 2.3834 2.3834 2.4017 2.4017 2.5539 2.5539 2.6144 2.6144 2.6329 2.6329 2.8714 2.8714 2.9052 2.9052 3.1687 3.1687 4.5206 4.5206 4.7983 4.7983 9.2882 9.2882 10.3588 10.3588 10.4661 10.4661 10.9477 10.9477 11.9964 11.9964 12.1563 12.1563 k = 0.1838 0.2595 1.0561 ( 12634 PWs) bands (ev): -16.4711 -16.4711 -16.3823 -16.3823 -16.3508 -16.3508 -16.3426 -16.3426 -13.6982 -13.6982 -13.6713 -13.6713 -2.7998 -2.7998 -2.6288 -2.6288 -1.7665 -1.7665 -1.7169 -1.7169 -1.4376 -1.4376 -1.3523 -1.3523 -1.2415 -1.2415 -1.0238 -1.0238 -0.4231 -0.4231 0.1515 0.1515 0.2230 0.2230 0.5429 0.5429 1.6136 1.6136 2.3940 2.3940 2.4156 2.4156 2.5617 2.5617 2.6146 2.6146 2.6379 2.6379 2.8803 2.8803 2.9157 2.9157 3.1775 3.1775 4.5788 4.5788 4.8015 4.8015 9.3250 9.3250 10.3252 10.3252 10.4358 10.4358 10.9157 10.9157 12.0251 12.0251 12.1846 12.1846 k = 0.1912 0.2432 1.0740 ( 12636 PWs) bands (ev): -16.4694 -16.4694 -16.3822 -16.3822 -16.3504 -16.3504 -16.3420 -16.3420 -13.6982 -13.6982 -13.6704 -13.6704 -2.8071 -2.8071 -2.6324 -2.6324 -1.7786 -1.7786 -1.7295 -1.7295 -1.4396 -1.4396 -1.3628 -1.3628 -1.2495 -1.2495 -1.0415 -1.0415 -0.4309 -0.4309 0.1506 0.1506 0.2245 0.2245 0.5398 0.5398 1.6170 1.6170 2.4037 2.4037 2.4284 2.4284 2.5689 2.5689 2.6139 2.6139 2.6435 2.6435 2.8884 2.8884 2.9254 2.9254 3.1856 3.1856 4.6293 4.6293 4.8063 4.8063 9.3610 9.3610 10.2923 10.2923 10.4085 10.4085 10.8850 10.8850 12.0526 12.0526 12.2183 12.2183 k = 0.1985 0.2269 1.0919 ( 12640 PWs) bands (ev): -16.4679 -16.4679 -16.3821 -16.3821 -16.3500 -16.3500 -16.3414 -16.3414 -13.6981 -13.6981 -13.6696 -13.6696 -2.8136 -2.8136 -2.6357 -2.6357 -1.7896 -1.7896 -1.7410 -1.7410 -1.4411 -1.4411 -1.3730 -1.3730 -1.2572 -1.2572 -1.0566 -1.0566 -0.4372 -0.4372 0.1498 0.1498 0.2258 0.2258 0.5371 0.5371 1.6201 1.6201 2.4125 2.4125 2.4399 2.4399 2.5752 2.5752 2.6131 2.6131 2.6489 2.6489 2.8955 2.8955 2.9342 2.9342 3.1930 3.1930 4.6711 4.6711 4.8137 4.8137 9.3958 9.3958 10.2610 10.2610 10.3839 10.3839 10.8564 10.8564 12.0797 12.0797 12.2549 12.2549 k = 0.2059 0.2106 1.1098 ( 12634 PWs) bands (ev): -16.4665 -16.4665 -16.3821 -16.3821 -16.3497 -16.3497 -16.3409 -16.3409 -13.6981 -13.6981 -13.6689 -13.6689 -2.8195 -2.8195 -2.6387 -2.6387 -1.7994 -1.7994 -1.7511 -1.7511 -1.4421 -1.4421 -1.3826 -1.3826 -1.2645 -1.2645 -1.0691 -1.0691 -0.4423 -0.4423 0.1492 0.1492 0.2271 0.2271 0.5348 0.5348 1.6228 1.6228 2.4202 2.4202 2.4502 2.4502 2.5807 2.5807 2.6124 2.6124 2.6538 2.6538 2.9017 2.9017 2.9419 2.9419 3.1995 3.1995 4.7031 4.7031 4.8246 4.8246 9.4287 9.4287 10.2321 10.2321 10.3619 10.3619 10.8305 10.8305 12.1075 12.1075 12.2922 12.2922 k = 0.2132 0.1942 1.1277 ( 12640 PWs) bands (ev): -16.4654 -16.4654 -16.3820 -16.3820 -16.3494 -16.3494 -16.3404 -16.3404 -13.6981 -13.6981 -13.6682 -13.6682 -2.8245 -2.8245 -2.6412 -2.6412 -1.8078 -1.8078 -1.7598 -1.7598 -1.4428 -1.4428 -1.3912 -1.3912 -1.2711 -1.2711 -1.0792 -1.0792 -0.4464 -0.4464 0.1487 0.1487 0.2281 0.2281 0.5328 0.5328 1.6250 1.6250 2.4269 2.4269 2.4590 2.4590 2.5850 2.5850 2.6121 2.6121 2.6581 2.6581 2.9070 2.9070 2.9486 2.9486 3.2051 3.2051 4.7252 4.7252 4.8391 4.8391 9.4589 9.4589 10.2062 10.2062 10.3427 10.3427 10.8079 10.8079 12.1364 12.1364 12.3281 12.3281 k = 0.2206 0.1779 1.1456 ( 12640 PWs) bands (ev): -16.4644 -16.4644 -16.3819 -16.3819 -16.3491 -16.3491 -16.3400 -16.3400 -13.6981 -13.6981 -13.6677 -13.6677 -2.8286 -2.8286 -2.6433 -2.6433 -1.8148 -1.8148 -1.7670 -1.7670 -1.4432 -1.4432 -1.3987 -1.3987 -1.2769 -1.2769 -1.0871 -1.0871 -0.4495 -0.4495 0.1483 0.1483 0.2290 0.2290 0.5312 0.5312 1.6268 1.6268 2.4324 2.4324 2.4664 2.4664 2.5882 2.5882 2.6123 2.6123 2.6616 2.6616 2.9113 2.9113 2.9541 2.9541 3.2098 3.2098 4.7389 4.7389 4.8552 4.8552 9.4855 9.4855 10.1838 10.1838 10.3264 10.3264 10.7889 10.7889 12.1663 12.1663 12.3608 12.3608 k = 0.2279 0.1616 1.1635 ( 12644 PWs) bands (ev): -16.4637 -16.4637 -16.3819 -16.3819 -16.3489 -16.3489 -16.3397 -16.3397 -13.6980 -13.6980 -13.6673 -13.6673 -2.8319 -2.8319 -2.6450 -2.6450 -1.8203 -1.8203 -1.7727 -1.7727 -1.4434 -1.4434 -1.4049 -1.4049 -1.2816 -1.2816 -1.0930 -1.0930 -0.4519 -0.4519 0.1480 0.1480 0.2296 0.2296 0.5300 0.5300 1.6282 1.6282 2.4368 2.4368 2.4722 2.4722 2.5904 2.5904 2.6129 2.6129 2.6644 2.6644 2.9148 2.9148 2.9584 2.9584 3.2135 3.2135 4.7471 4.7471 4.8704 4.8704 9.5076 9.5076 10.1655 10.1655 10.3133 10.3133 10.7739 10.7739 12.1960 12.1960 12.3890 12.3890 k = 0.2353 0.1453 1.1814 ( 12640 PWs) bands (ev): -16.4631 -16.4631 -16.3818 -16.3818 -16.3488 -16.3488 -16.3395 -16.3395 -13.6980 -13.6980 -13.6670 -13.6670 -2.8343 -2.8343 -2.6462 -2.6462 -1.8243 -1.8243 -1.7768 -1.7768 -1.4434 -1.4434 -1.4094 -1.4094 -1.2851 -1.2851 -1.0970 -1.0970 -0.4535 -0.4535 0.1478 0.1478 0.2301 0.2301 0.5291 0.5291 1.6293 1.6293 2.4399 2.4399 2.4764 2.4764 2.5917 2.5917 2.6135 2.6135 2.6663 2.6663 2.9172 2.9172 2.9615 2.9615 3.2161 3.2161 4.7517 4.7517 4.8825 4.8825 9.5243 9.5243 10.1519 10.1519 10.3036 10.3036 10.7630 10.7630 12.2233 12.2233 12.4114 12.4114 k = 0.2426 0.1290 1.1993 ( 12642 PWs) bands (ev): -16.4628 -16.4628 -16.3818 -16.3818 -16.3487 -16.3487 -16.3394 -16.3394 -13.6980 -13.6980 -13.6668 -13.6668 -2.8357 -2.8357 -2.6469 -2.6469 -1.8267 -1.8267 -1.7792 -1.7792 -1.4434 -1.4434 -1.4122 -1.4122 -1.2873 -1.2873 -1.0994 -1.0994 -0.4544 -0.4544 0.1477 0.1477 0.2304 0.2304 0.5286 0.5286 1.6299 1.6299 2.4418 2.4418 2.4789 2.4789 2.5923 2.5923 2.6140 2.6140 2.6675 2.6675 2.9187 2.9187 2.9634 2.9634 3.2177 3.2177 4.7541 4.7541 4.8902 4.8902 9.5346 9.5346 10.1435 10.1435 10.2978 10.2978 10.7564 10.7564 12.2437 12.2437 12.4266 12.4266 k = 0.2500 0.1126 1.2172 ( 12632 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6980 -13.6980 -13.6668 -13.6668 -2.8362 -2.8362 -2.6472 -2.6472 -1.8275 -1.8275 -1.7801 -1.7801 -1.4433 -1.4433 -1.4132 -1.4132 -1.2880 -1.2880 -1.1002 -1.1002 -0.4548 -0.4548 0.1476 0.1476 0.2305 0.2305 0.5284 0.5284 1.6301 1.6301 2.4425 2.4425 2.4797 2.4797 2.5925 2.5925 2.6142 2.6142 2.6679 2.6679 2.9192 2.9192 2.9640 2.9640 3.2183 3.2183 4.7548 4.7548 4.8928 4.8928 9.5382 9.5382 10.1407 10.1407 10.2958 10.2958 10.7542 10.7542 12.2515 12.2515 12.4323 12.4323 k = 0.2500 0.1126 1.2172 ( 12632 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6980 -13.6980 -13.6668 -13.6668 -2.8362 -2.8362 -2.6472 -2.6472 -1.8275 -1.8275 -1.7801 -1.7801 -1.4433 -1.4433 -1.4132 -1.4132 -1.2880 -1.2880 -1.1002 -1.1002 -0.4548 -0.4548 0.1476 0.1476 0.2305 0.2305 0.5284 0.5284 1.6301 1.6301 2.4425 2.4425 2.4797 2.4797 2.5925 2.5925 2.6142 2.6142 2.6679 2.6679 2.9192 2.9192 2.9640 2.9640 3.2183 3.2183 4.7548 4.7548 4.8928 4.8928 9.5382 9.5382 10.1407 10.1407 10.2958 10.2958 10.7542 10.7542 12.2515 12.2515 12.4323 12.4323 k = 0.2708 0.1220 1.2070 ( 12642 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6980 -13.6980 -13.6668 -13.6668 -2.8363 -2.8363 -2.6469 -2.6469 -1.8282 -1.8282 -1.7799 -1.7799 -1.4426 -1.4426 -1.4128 -1.4128 -1.2869 -1.2869 -1.0996 -1.0996 -0.4575 -0.4575 0.1471 0.1471 0.2318 0.2318 0.5288 0.5288 1.6307 1.6307 2.4413 2.4413 2.4808 2.4808 2.5918 2.5918 2.6148 2.6148 2.6678 2.6678 2.9185 2.9185 2.9638 2.9638 3.2182 3.2182 4.7548 4.7548 4.8924 4.8924 9.5373 9.5373 10.1293 10.1293 10.3108 10.3108 10.7557 10.7557 12.2227 12.2227 12.4309 12.4309 k = 0.2917 0.1314 1.1967 ( 12652 PWs) bands (ev): -16.4628 -16.4628 -16.3818 -16.3818 -16.3487 -16.3487 -16.3394 -16.3394 -13.6980 -13.6980 -13.6668 -13.6668 -2.8367 -2.8367 -2.6460 -2.6460 -1.8302 -1.8302 -1.7796 -1.7796 -1.4406 -1.4406 -1.4119 -1.4119 -1.2837 -1.2837 -1.0979 -1.0979 -0.4655 -0.4655 0.1455 0.1455 0.2356 0.2356 0.5298 0.5298 1.6327 1.6327 2.4379 2.4379 2.4839 2.4839 2.5900 2.5900 2.6163 2.6163 2.6677 2.6677 2.9164 2.9164 2.9631 2.9631 3.2181 3.2181 4.7546 4.7546 4.8911 4.8911 9.5349 9.5349 10.1035 10.1035 10.3473 10.3473 10.7602 10.7602 12.1543 12.1543 12.4275 12.4275 k = 0.3125 0.1408 1.1864 ( 12654 PWs) bands (ev): -16.4628 -16.4628 -16.3818 -16.3818 -16.3487 -16.3487 -16.3394 -16.3394 -13.6981 -13.6981 -13.6668 -13.6668 -2.8372 -2.8372 -2.6447 -2.6447 -1.8330 -1.8330 -1.7791 -1.7791 -1.4376 -1.4376 -1.4103 -1.4103 -1.2785 -1.2785 -1.0952 -1.0952 -0.4782 -0.4782 0.1435 0.1435 0.2412 0.2412 0.5316 0.5316 1.6358 1.6358 2.4331 2.4331 2.4881 2.4881 2.5874 2.5874 2.6183 2.6183 2.6674 2.6674 2.9131 2.9131 2.9620 2.9620 3.2178 3.2178 4.7542 4.7542 4.8889 4.8889 9.5313 9.5313 10.0738 10.0738 10.3943 10.3943 10.7673 10.7673 12.0697 12.0697 12.4216 12.4216 k = 0.3333 0.1502 1.1761 ( 12656 PWs) bands (ev): -16.4629 -16.4629 -16.3819 -16.3819 -16.3488 -16.3488 -16.3395 -16.3395 -13.6981 -13.6981 -13.6668 -13.6668 -2.8378 -2.8378 -2.6430 -2.6430 -1.8364 -1.8364 -1.7785 -1.7785 -1.4340 -1.4340 -1.4083 -1.4083 -1.2713 -1.2713 -1.0913 -1.0913 -0.4949 -0.4949 0.1414 0.1414 0.2477 0.2477 0.5339 0.5339 1.6399 1.6399 2.4275 2.4275 2.4928 2.4928 2.5844 2.5844 2.6205 2.6205 2.6670 2.6670 2.9087 2.9087 2.9606 2.9606 3.2174 3.2174 4.7537 4.7537 4.8859 4.8859 9.5267 9.5267 10.0450 10.0450 10.4464 10.4464 10.7765 10.7765 11.9794 11.9794 12.4142 12.4142 k = 0.3542 0.1596 1.1658 ( 12648 PWs) bands (ev): -16.4631 -16.4631 -16.3819 -16.3819 -16.3488 -16.3488 -16.3395 -16.3395 -13.6981 -13.6981 -13.6669 -13.6669 -2.8384 -2.8384 -2.6410 -2.6410 -1.8399 -1.8399 -1.7779 -1.7779 -1.4301 -1.4301 -1.4059 -1.4059 -1.2626 -1.2626 -1.0864 -1.0864 -0.5146 -0.5146 0.1393 0.1393 0.2546 0.2546 0.5367 0.5367 1.6449 1.6449 2.4215 2.4215 2.4975 2.4975 2.5812 2.5812 2.6227 2.6227 2.6665 2.6665 2.9035 2.9035 2.9588 2.9588 3.2169 3.2169 4.7530 4.7530 4.8820 4.8820 9.5212 9.5212 10.0188 10.0188 10.5011 10.5011 10.7874 10.7874 11.8879 11.8879 12.4071 12.4071 k = 0.3750 0.1689 1.1555 ( 12650 PWs) bands (ev): -16.4632 -16.4632 -16.3819 -16.3819 -16.3489 -16.3489 -16.3396 -16.3396 -13.6982 -13.6982 -13.6670 -13.6670 -2.8387 -2.8387 -2.6390 -2.6390 -1.8432 -1.8432 -1.7771 -1.7771 -1.4262 -1.4262 -1.4033 -1.4033 -1.2526 -1.2526 -1.0807 -1.0807 -0.5359 -0.5359 0.1376 0.1376 0.2613 0.2613 0.5398 0.5398 1.6503 1.6503 2.4153 2.4153 2.5020 2.5020 2.5781 2.5781 2.6246 2.6246 2.6659 2.6659 2.8978 2.8978 2.9567 2.9567 3.2161 3.2161 4.7520 4.7520 4.8773 4.8773 9.5152 9.5152 9.9964 9.9964 10.5566 10.5566 10.7993 10.7993 11.7980 11.7980 12.4020 12.4020 k = 0.3958 0.1783 1.1452 ( 12656 PWs) bands (ev): -16.4634 -16.4634 -16.3820 -16.3820 -16.3490 -16.3490 -16.3397 -16.3397 -13.6982 -13.6982 -13.6671 -13.6671 -2.8388 -2.8388 -2.6370 -2.6370 -1.8458 -1.8458 -1.7762 -1.7762 -1.4225 -1.4225 -1.4006 -1.4006 -1.2420 -1.2420 -1.0744 -1.0744 -0.5575 -0.5575 0.1363 0.1363 0.2673 0.2673 0.5430 0.5430 1.6558 1.6558 2.4092 2.4092 2.5060 2.5060 2.5751 2.5751 2.6263 2.6263 2.6652 2.6652 2.8919 2.8919 2.9545 2.9545 3.2152 3.2152 4.7508 4.7508 4.8717 4.8717 9.5088 9.5088 9.9781 9.9781 10.6112 10.6112 10.8113 10.8113 11.7118 11.7118 12.4004 12.4004 k = 0.4167 0.1877 1.1349 ( 12656 PWs) bands (ev): -16.4636 -16.4636 -16.3820 -16.3820 -16.3491 -16.3491 -16.3398 -16.3398 -13.6982 -13.6982 -13.6672 -13.6672 -2.8385 -2.8385 -2.6351 -2.6351 -1.8477 -1.8477 -1.7750 -1.7750 -1.4189 -1.4189 -1.3980 -1.3980 -1.2314 -1.2314 -1.0681 -1.0681 -0.5779 -0.5779 0.1354 0.1354 0.2723 0.2723 0.5462 0.5462 1.6610 1.6610 2.4031 2.4031 2.5092 2.5092 2.5723 2.5723 2.6276 2.6276 2.6644 2.6644 2.8861 2.8861 2.9522 2.9522 3.2140 3.2140 4.7492 4.7492 4.8652 4.8652 9.5020 9.5020 9.9642 9.9642 10.6633 10.6633 10.8228 10.8228 11.6315 11.6315 12.4036 12.4036 k = 0.4375 0.1971 1.1246 ( 12670 PWs) bands (ev): -16.4638 -16.4638 -16.3821 -16.3821 -16.3492 -16.3492 -16.3400 -16.3400 -13.6982 -13.6982 -13.6674 -13.6674 -2.8377 -2.8377 -2.6335 -2.6335 -1.8484 -1.8484 -1.7735 -1.7735 -1.4156 -1.4156 -1.3957 -1.3957 -1.2214 -1.2214 -1.0624 -1.0624 -0.5954 -0.5954 0.1348 0.1348 0.2762 0.2762 0.5490 0.5490 1.6657 1.6657 2.3972 2.3972 2.5117 2.5117 2.5698 2.5698 2.6286 2.6286 2.6634 2.6634 2.8808 2.8808 2.9498 2.9498 3.2126 3.2126 4.7473 4.7473 4.8579 4.8579 9.4949 9.4949 9.9548 9.9548 10.7105 10.7105 10.8331 10.8331 11.5597 11.5597 12.4124 12.4124 k = 0.4583 0.2065 1.1143 ( 12662 PWs) bands (ev): -16.4640 -16.4640 -16.3822 -16.3822 -16.3494 -16.3494 -16.3401 -16.3401 -13.6981 -13.6981 -13.6676 -13.6676 -2.8364 -2.8364 -2.6322 -2.6322 -1.8479 -1.8479 -1.7717 -1.7717 -1.4125 -1.4125 -1.3936 -1.3936 -1.2125 -1.2125 -1.0581 -1.0581 -0.6084 -0.6084 0.1347 0.1347 0.2789 0.2789 0.5515 0.5515 1.6694 1.6694 2.3917 2.3917 2.5131 2.5131 2.5677 2.5677 2.6291 2.6291 2.6623 2.6623 2.8763 2.8763 2.9475 2.9475 3.2110 3.2110 4.7451 4.7451 4.8497 4.8497 9.4876 9.4876 9.9502 9.9502 10.7496 10.7496 10.8419 10.8419 11.4996 11.4996 12.4276 12.4276 k = 0.4792 0.2159 1.1040 ( 12660 PWs) bands (ev): -16.4642 -16.4642 -16.3823 -16.3823 -16.3495 -16.3495 -16.3402 -16.3402 -13.6981 -13.6981 -13.6679 -13.6679 -2.8346 -2.8346 -2.6312 -2.6312 -1.8461 -1.8461 -1.7693 -1.7693 -1.4098 -1.4098 -1.3917 -1.3917 -1.2051 -1.2051 -1.0560 -1.0560 -0.6156 -0.6156 0.1349 0.1349 0.2802 0.2802 0.5534 0.5534 1.6718 1.6718 2.3864 2.3864 2.5134 2.5134 2.5660 2.5660 2.6293 2.6293 2.6610 2.6610 2.8727 2.8727 2.9452 2.9452 3.2091 3.2091 4.7425 4.7425 4.8407 4.8407 9.4800 9.4800 9.9503 9.9503 10.7761 10.7761 10.8501 10.8501 11.4549 11.4549 12.4493 12.4493 k = 0.5000 0.2253 1.0937 ( 12656 PWs) bands (ev): -16.4645 -16.4645 -16.3824 -16.3824 -16.3497 -16.3497 -16.3404 -16.3404 -13.6980 -13.6980 -13.6681 -13.6681 -2.8322 -2.8322 -2.6307 -2.6307 -1.8429 -1.8429 -1.7666 -1.7666 -1.4075 -1.4075 -1.3901 -1.3901 -1.1997 -1.1997 -1.0563 -1.0563 -0.6163 -0.6163 0.1355 0.1355 0.2802 0.2802 0.5548 0.5548 1.6728 1.6728 2.3815 2.3815 2.5127 2.5127 2.5647 2.5647 2.6289 2.6289 2.6596 2.6596 2.8702 2.8702 2.9430 2.9430 3.2069 3.2069 4.7395 4.7395 4.8309 4.8309 9.4720 9.4720 9.9551 9.9551 10.7854 10.7854 10.8587 10.8587 11.4291 11.4291 12.4775 12.4775 k = 0.5000 0.2253 1.0937 ( 12656 PWs) bands (ev): -16.4645 -16.4645 -16.3824 -16.3824 -16.3497 -16.3497 -16.3404 -16.3404 -13.6980 -13.6980 -13.6681 -13.6681 -2.8322 -2.8322 -2.6307 -2.6307 -1.8429 -1.8429 -1.7666 -1.7666 -1.4075 -1.4075 -1.3901 -1.3901 -1.1997 -1.1997 -1.0563 -1.0563 -0.6163 -0.6163 0.1355 0.1355 0.2802 0.2802 0.5548 0.5548 1.6728 1.6728 2.3815 2.3815 2.5127 2.5127 2.5647 2.5647 2.6289 2.6289 2.6596 2.6596 2.8702 2.8702 2.9430 2.9430 3.2069 3.2069 4.7395 4.7395 4.8309 4.8309 9.4720 9.4720 9.9551 9.9551 10.7854 10.7854 10.8587 10.8587 11.4291 11.4291 12.4775 12.4775 k = 0.5000 0.2253 1.0689 ( 12652 PWs) bands (ev): -16.4654 -16.4654 -16.3826 -16.3826 -16.3503 -16.3503 -16.3407 -16.3407 -13.6978 -13.6978 -13.6689 -13.6689 -2.8252 -2.8252 -2.6298 -2.6298 -1.8327 -1.8327 -1.7584 -1.7584 -1.4029 -1.4029 -1.3850 -1.3850 -1.1885 -1.1885 -1.0601 -1.0601 -0.6089 -0.6089 0.1376 0.1376 0.2782 0.2782 0.5575 0.5575 1.6733 1.6733 2.3692 2.3692 2.5094 2.5094 2.5620 2.5620 2.6272 2.6272 2.6557 2.6557 2.8652 2.8652 2.9373 2.9373 3.2008 3.2008 4.7311 4.7311 4.8039 4.8039 9.4496 9.4496 9.9740 9.9740 10.7860 10.7860 10.8814 10.8814 11.3926 11.3926 12.5533 12.5533 k = 0.5000 0.2253 1.0440 ( 12640 PWs) bands (ev): -16.4664 -16.4664 -16.3829 -16.3829 -16.3509 -16.3509 -16.3411 -16.3411 -13.6976 -13.6976 -13.6698 -13.6698 -2.8171 -2.8171 -2.6289 -2.6289 -1.8209 -1.8209 -1.7486 -1.7486 -1.3992 -1.3992 -1.3775 -1.3775 -1.1757 -1.1757 -1.0642 -1.0642 -0.6001 -0.6001 0.1400 0.1400 0.2759 0.2759 0.5607 0.5607 1.6740 1.6740 2.3551 2.3551 2.5056 2.5056 2.5589 2.5589 2.6252 2.6252 2.6512 2.6512 2.8592 2.8592 2.9309 2.9309 3.1938 3.1938 4.7211 4.7211 4.7723 4.7723 9.4228 9.4228 9.9958 9.9958 10.7866 10.7866 10.9078 10.9078 11.3601 11.3601 12.6267 12.6267 k = 0.5000 0.2253 1.0191 ( 12656 PWs) bands (ev): -16.4676 -16.4676 -16.3833 -16.3833 -16.3518 -16.3518 -16.3413 -16.3413 -13.6974 -13.6974 -13.6708 -13.6708 -2.8079 -2.8079 -2.6278 -2.6278 -1.8078 -1.8078 -1.7371 -1.7371 -1.3960 -1.3960 -1.3677 -1.3677 -1.1615 -1.1615 -1.0688 -1.0688 -0.5897 -0.5897 0.1428 0.1428 0.2732 0.2732 0.5645 0.5645 1.6749 1.6749 2.3394 2.3394 2.5014 2.5014 2.5556 2.5556 2.6228 2.6228 2.6460 2.6460 2.8521 2.8521 2.9236 2.9236 3.1857 3.1857 4.7092 4.7092 4.7366 4.7366 9.3912 9.3912 10.0205 10.0205 10.7871 10.7871 10.9377 10.9377 11.3328 11.3328 12.6902 12.6902 k = 0.5000 0.2253 0.9943 ( 12658 PWs) bands (ev): -16.4690 -16.4690 -16.3836 -16.3836 -16.3527 -16.3527 -16.3416 -16.3416 -13.6971 -13.6971 -13.6720 -13.6720 -2.7976 -2.7976 -2.6266 -2.6266 -1.7935 -1.7935 -1.7235 -1.7235 -1.3931 -1.3931 -1.3561 -1.3561 -1.1462 -1.1462 -1.0735 -1.0735 -0.5776 -0.5776 0.1458 0.1458 0.2702 0.2702 0.5687 0.5687 1.6758 1.6758 2.3223 2.3223 2.4968 2.4968 2.5519 2.5519 2.6199 2.6199 2.6402 2.6402 2.8440 2.8440 2.9157 2.9157 3.1768 3.1768 4.6914 4.6914 4.7010 4.7010 9.3549 9.3549 10.0478 10.0478 10.7871 10.7871 10.9708 10.9708 11.3115 11.3115 12.7280 12.7280 k = 0.5000 0.2253 0.9694 ( 12654 PWs) bands (ev): -16.4706 -16.4706 -16.3841 -16.3841 -16.3538 -16.3538 -16.3417 -16.3417 -13.6967 -13.6967 -13.6732 -13.6732 -2.7864 -2.7864 -2.6254 -2.6254 -1.7784 -1.7784 -1.7079 -1.7079 -1.3902 -1.3902 -1.3429 -1.3429 -1.1303 -1.1303 -1.0780 -1.0780 -0.5637 -0.5637 0.1491 0.1491 0.2670 0.2670 0.5735 0.5735 1.6770 1.6770 2.3042 2.3042 2.4917 2.4917 2.5481 2.5481 2.6165 2.6165 2.6339 2.6339 2.8349 2.8349 2.9072 2.9072 3.1669 3.1669 4.6504 4.6504 4.6829 4.6829 9.3140 9.3140 10.0775 10.0775 10.7867 10.7867 11.0069 11.0069 11.2969 11.2969 12.7119 12.7119 k = 0.5000 0.2253 0.9446 ( 12650 PWs) bands (ev): -16.4725 -16.4725 -16.3845 -16.3845 -16.3550 -16.3550 -16.3418 -16.3418 -13.6963 -13.6963 -13.6745 -13.6745 -2.7743 -2.7743 -2.6241 -2.6241 -1.7626 -1.7626 -1.6900 -1.6900 -1.3873 -1.3873 -1.3284 -1.3284 -1.1153 -1.1153 -1.0809 -1.0809 -0.5479 -0.5479 0.1526 0.1526 0.2635 0.2635 0.5787 0.5787 1.6783 1.6783 2.2853 2.2853 2.4864 2.4864 2.5443 2.5443 2.6125 2.6125 2.6272 2.6272 2.8248 2.8248 2.8982 2.8982 3.1563 3.1563 4.6026 4.6026 4.6661 4.6661 9.2687 9.2687 10.1094 10.1094 10.7854 10.7854 11.0455 11.0455 11.2891 11.2891 12.6536 12.6536 k = 0.5000 0.2253 0.9197 ( 12642 PWs) bands (ev): -16.4746 -16.4746 -16.3851 -16.3851 -16.3563 -16.3563 -16.3418 -16.3418 -13.6959 -13.6959 -13.6759 -13.6759 -2.7615 -2.7615 -2.6228 -2.6228 -1.7465 -1.7465 -1.6697 -1.6697 -1.3843 -1.3843 -1.3127 -1.3127 -1.1057 -1.1057 -1.0777 -1.0777 -0.5300 -0.5300 0.1562 0.1562 0.2599 0.2599 0.5845 0.5845 1.6797 1.6797 2.2659 2.2659 2.4806 2.4806 2.5404 2.5404 2.6076 2.6076 2.6203 2.6203 2.8136 2.8136 2.8888 2.8888 3.1449 3.1449 4.5510 4.5510 4.6478 4.6478 9.2191 9.2191 10.1433 10.1433 10.7832 10.7832 11.0863 11.0863 11.2885 11.2885 12.5800 12.5800 k = 0.5000 0.2253 0.8949 ( 12634 PWs) bands (ev): -16.4769 -16.4769 -16.3856 -16.3856 -16.3576 -16.3576 -16.3418 -16.3418 -13.6954 -13.6954 -13.6773 -13.6773 -2.7480 -2.7480 -2.6215 -2.6215 -1.7301 -1.7301 -1.6471 -1.6471 -1.3813 -1.3813 -1.2960 -1.2960 -1.1056 -1.1056 -1.0646 -1.0646 -0.5099 -0.5099 0.1597 0.1597 0.2564 0.2564 0.5909 0.5909 1.6813 1.6813 2.2463 2.2463 2.4745 2.4745 2.5365 2.5365 2.6016 2.6016 2.6136 2.6136 2.8016 2.8016 2.8790 2.8790 3.1329 3.1329 4.4960 4.4960 4.6277 4.6277 9.1656 9.1656 10.1787 10.1787 10.7798 10.7798 11.1284 11.1284 11.2953 11.2953 12.4996 12.4996 k = 0.5000 0.2253 0.8700 ( 12644 PWs) bands (ev): -16.4795 -16.4795 -16.3862 -16.3862 -16.3590 -16.3590 -16.3417 -16.3417 -13.6948 -13.6948 -13.6788 -13.6788 -2.7339 -2.7339 -2.6202 -2.6202 -1.7136 -1.7136 -1.6222 -1.6222 -1.3783 -1.3783 -1.2785 -1.2785 -1.1096 -1.1096 -1.0469 -1.0469 -0.4874 -0.4874 0.1629 0.1629 0.2533 0.2533 0.5978 0.5978 1.6831 1.6831 2.2270 2.2270 2.4680 2.4680 2.5328 2.5328 2.5943 2.5943 2.6071 2.6071 2.7888 2.7888 2.8688 2.8688 3.1202 3.1202 4.4378 4.4378 4.6060 4.6060 9.1086 9.1086 10.2156 10.2156 10.7749 10.7749 11.1707 11.1707 11.3099 11.3099 12.4152 12.4152 k = 0.5000 0.2253 0.8451 ( 12668 PWs) bands (ev): -16.4823 -16.4823 -16.3869 -16.3869 -16.3603 -16.3603 -16.3416 -16.3416 -13.6942 -13.6942 -13.6803 -13.6803 -2.7193 -2.7193 -2.6190 -2.6190 -1.6970 -1.6970 -1.5951 -1.5951 -1.3752 -1.3752 -1.2603 -1.2603 -1.1148 -1.1148 -1.0277 -1.0277 -0.4625 -0.4625 0.1655 0.1655 0.2509 0.2509 0.6052 0.6052 1.6851 1.6851 2.2081 2.2081 2.4612 2.4612 2.5293 2.5293 2.5858 2.5858 2.6008 2.6008 2.7752 2.7752 2.8583 2.8583 3.1070 3.1070 4.3768 4.3768 4.5824 4.5824 9.0486 9.0486 10.2535 10.2535 10.7684 10.7684 11.2115 11.2115 11.3333 11.3333 12.3283 12.3283 k = 0.5000 0.2253 0.8203 ( 12666 PWs) bands (ev): -16.4854 -16.4854 -16.3876 -16.3876 -16.3617 -16.3617 -16.3415 -16.3415 -13.6935 -13.6935 -13.6819 -13.6819 -2.7044 -2.7044 -2.6177 -2.6177 -1.6802 -1.6802 -1.5662 -1.5662 -1.3722 -1.3722 -1.2417 -1.2417 -1.1202 -1.1202 -1.0078 -1.0078 -0.4351 -0.4351 0.1673 0.1673 0.2497 0.2497 0.6132 0.6132 1.6873 1.6873 2.1900 2.1900 2.4541 2.4541 2.5260 2.5260 2.5763 2.5763 2.5945 2.5945 2.7610 2.7610 2.8475 2.8475 3.0933 3.0933 4.3131 4.3131 4.5569 4.5569 8.9860 8.9860 10.2920 10.2920 10.7600 10.7600 11.2494 11.2494 11.3663 11.3663 12.2403 12.2403 k = 0.5000 0.2253 0.7954 ( 12662 PWs) bands (ev): -16.4887 -16.4887 -16.3883 -16.3883 -16.3629 -16.3629 -16.3413 -16.3413 -13.6928 -13.6928 -13.6834 -13.6834 -2.6892 -2.6892 -2.6165 -2.6165 -1.6633 -1.6633 -1.5356 -1.5356 -1.3692 -1.3692 -1.2230 -1.2230 -1.1255 -1.1255 -0.9877 -0.9877 -0.4050 -0.4050 0.1678 0.1678 0.2501 0.2501 0.6217 0.6217 1.6895 1.6895 2.1730 2.1730 2.4467 2.4467 2.5227 2.5227 2.5663 2.5663 2.5878 2.5878 2.7462 2.7462 2.8365 2.8365 3.0792 3.0792 4.2471 4.2471 4.5295 4.5295 8.9212 8.9212 10.3307 10.3307 10.7495 10.7495 11.2838 11.2838 11.4082 11.4082 12.1520 12.1520 k = 0.5000 0.2253 0.7706 ( 12674 PWs) bands (ev): -16.4923 -16.4923 -16.3891 -16.3891 -16.3641 -16.3641 -16.3411 -16.3411 -13.6920 -13.6920 -13.6850 -13.6850 -2.6740 -2.6740 -2.6152 -2.6152 -1.6463 -1.6463 -1.5036 -1.5036 -1.3661 -1.3661 -1.2047 -1.2047 -1.1302 -1.1302 -0.9674 -0.9674 -0.3723 -0.3723 0.1669 0.1669 0.2525 0.2525 0.6308 0.6308 1.6920 1.6920 2.1574 2.1574 2.4389 2.4389 2.5192 2.5192 2.5562 2.5562 2.5807 2.5807 2.7311 2.7311 2.8252 2.8252 3.0649 3.0649 4.1788 4.1788 4.5002 4.5002 8.8548 8.8548 10.3691 10.3691 10.7368 10.7368 11.3156 11.3156 11.4574 11.4574 12.0645 12.0645 k = 0.5000 0.2253 0.7457 ( 12676 PWs) bands (ev): -16.4961 -16.4961 -16.3899 -16.3899 -16.3653 -16.3653 -16.3409 -16.3409 -13.6911 -13.6911 -13.6866 -13.6866 -2.6590 -2.6590 -2.6136 -2.6136 -1.6292 -1.6292 -1.4706 -1.4706 -1.3629 -1.3629 -1.1877 -1.1877 -1.1333 -1.1333 -0.9471 -0.9471 -0.3371 -0.3371 0.1647 0.1647 0.2570 0.2570 0.6405 0.6405 1.6945 1.6945 2.1435 2.1435 2.4309 2.4309 2.5148 2.5148 2.5466 2.5466 2.5731 2.5731 2.7157 2.7157 2.8137 2.8137 3.0504 3.0504 4.1087 4.1087 4.4689 4.4689 8.7870 8.7870 10.4064 10.4064 10.7217 10.7217 11.3457 11.3457 11.5118 11.5118 11.9790 11.9790 k = 0.5000 0.2253 0.7209 ( 12672 PWs) bands (ev): -16.5001 -16.5001 -16.3908 -16.3908 -16.3663 -16.3663 -16.3407 -16.3407 -13.6902 -13.6902 -13.6881 -13.6881 -2.6449 -2.6449 -2.6113 -2.6113 -1.6121 -1.6121 -1.4372 -1.4372 -1.3592 -1.3592 -1.1743 -1.1743 -1.1329 -1.1329 -0.9266 -0.9266 -0.2995 -0.2995 0.1615 0.1615 0.2637 0.2637 0.6507 0.6507 1.6971 1.6971 2.1316 2.1316 2.4226 2.4226 2.5084 2.5084 2.5389 2.5389 2.5650 2.5650 2.7002 2.7002 2.8020 2.8020 3.0358 3.0358 4.0369 4.0369 4.4356 4.4356 8.7184 8.7184 10.4420 10.4420 10.7043 10.7043 11.3746 11.3746 11.5695 11.5695 11.8968 11.8968 k = 0.5000 0.2253 0.6960 ( 12672 PWs) bands (ev): -16.5043 -16.5043 -16.3917 -16.3917 -16.3673 -16.3673 -16.3404 -16.3404 -13.6897 -13.6897 -13.6892 -13.6892 -2.6331 -2.6331 -2.6070 -2.6070 -1.5951 -1.5951 -1.4052 -1.4052 -1.3535 -1.3535 -1.1679 -1.1679 -1.1257 -1.1257 -0.9060 -0.9060 -0.2597 -0.2597 0.1579 0.1579 0.2722 0.2722 0.6615 0.6615 1.6998 1.6998 2.1218 2.1218 2.4140 2.4140 2.4989 2.4989 2.5340 2.5340 2.5562 2.5562 2.6846 2.6846 2.7901 2.7901 3.0213 3.0213 3.9637 3.9637 4.4002 4.4002 8.6493 8.6493 10.4747 10.4747 10.6846 10.6846 11.4022 11.4022 11.6284 11.6284 11.8205 11.8205 k = 0.5000 0.2253 0.6711 ( 12666 PWs) bands (ev): -16.5086 -16.5086 -16.3926 -16.3926 -16.3682 -16.3682 -16.3401 -16.3401 -13.6912 -13.6912 -13.6882 -13.6882 -2.6258 -2.6258 -2.5984 -2.5984 -1.5782 -1.5782 -1.3798 -1.3798 -1.3410 -1.3410 -1.1674 -1.1674 -1.1126 -1.1126 -0.8853 -0.8853 -0.2181 -0.2181 0.1546 0.1546 0.2826 0.2826 0.6728 0.6728 1.7025 1.7025 2.1144 2.1144 2.4052 2.4052 2.4865 2.4865 2.5316 2.5316 2.5469 2.5469 2.6691 2.6691 2.7781 2.7781 3.0069 3.0069 3.8894 3.8894 4.3629 4.3629 8.5800 8.5800 10.5031 10.5031 10.6627 10.6627 11.4278 11.4278 11.6786 11.6786 11.7608 11.7608 k = 0.5000 0.2253 0.6463 ( 12664 PWs) bands (ev): -16.5132 -16.5132 -16.3936 -16.3936 -16.3690 -16.3690 -16.3399 -16.3399 -13.6926 -13.6926 -13.6871 -13.6871 -2.6225 -2.6225 -2.5861 -2.5861 -1.5616 -1.5616 -1.3675 -1.3675 -1.3159 -1.3159 -1.1693 -1.1693 -1.0971 -1.0971 -0.8643 -0.8643 -0.1753 -0.1753 0.1523 0.1523 0.2946 0.2946 0.6847 0.6847 1.7052 1.7052 2.1094 2.1094 2.3961 2.3961 2.4722 2.4722 2.5306 2.5306 2.5373 2.5373 2.6537 2.6537 2.7659 2.7659 2.9929 2.9929 3.8142 3.8142 4.3234 4.3234 8.5109 8.5109 10.5253 10.5253 10.6394 10.6394 11.4507 11.4507 11.6609 11.6609 11.7780 11.7780 k = 0.5000 0.2253 0.6214 ( 12660 PWs) bands (ev): -16.5178 -16.5178 -16.3946 -16.3946 -16.3697 -16.3697 -16.3396 -16.3396 -13.6940 -13.6940 -13.6860 -13.6860 -2.6214 -2.6214 -2.5722 -2.5722 -1.5452 -1.5452 -1.3624 -1.3624 -1.2850 -1.2850 -1.1709 -1.1709 -1.0812 -1.0812 -0.8431 -0.8431 -0.1322 -0.1322 0.1521 0.1521 0.3084 0.3084 0.6970 0.6970 1.7079 1.7079 2.1071 2.1071 2.3866 2.3866 2.4565 2.4565 2.5254 2.5254 2.5321 2.5321 2.6385 2.6385 2.7536 2.7536 2.9793 2.9793 3.7384 3.7384 4.2819 4.2819 8.4423 8.4423 10.5379 10.5379 10.6164 10.6164 11.4696 11.4696 11.6099 11.6099 11.8392 11.8392 k = 0.5000 0.2253 0.5966 ( 12664 PWs) bands (ev): -16.5226 -16.5226 -16.3957 -16.3957 -16.3703 -16.3703 -16.3393 -16.3393 -13.6953 -13.6953 -13.6848 -13.6848 -2.6212 -2.6212 -2.5579 -2.5579 -1.5293 -1.5293 -1.3594 -1.3594 -1.2558 -1.2558 -1.1694 -1.1694 -1.0655 -1.0655 -0.8217 -0.8217 -0.0902 -0.0902 0.1555 0.1555 0.3240 0.3240 0.7099 0.7099 1.7105 1.7105 2.1074 2.1074 2.3768 2.3768 2.4400 2.4400 2.5146 2.5146 2.5325 2.5325 2.6236 2.6236 2.7413 2.7413 2.9662 2.9662 3.6623 3.6623 4.2384 4.2384 8.3744 8.3744 10.5361 10.5361 10.5971 10.5971 11.4832 11.4832 11.5660 11.5660 11.9063 11.9063 k = 0.5000 0.2253 0.5717 ( 12682 PWs) bands (ev): -16.5274 -16.5274 -16.3968 -16.3968 -16.3708 -16.3708 -16.3390 -16.3390 -13.6966 -13.6966 -13.6836 -13.6836 -2.6216 -2.6216 -2.5435 -2.5435 -1.5140 -1.5140 -1.3572 -1.3572 -1.2342 -1.2342 -1.1603 -1.1603 -1.0501 -1.0501 -0.8000 -0.8000 -0.0514 -0.0514 0.1646 0.1646 0.3413 0.3413 0.7234 0.7234 1.7130 1.7130 2.1104 2.1104 2.3663 2.3663 2.4230 2.4230 2.5029 2.5029 2.5334 2.5334 2.6088 2.6088 2.7292 2.7292 2.9537 2.9537 3.5863 3.5863 4.1928 4.1928 8.3075 8.3075 10.5175 10.5175 10.5825 10.5825 11.4889 11.4889 11.5358 11.5358 11.9755 11.9755 k = 0.5000 0.2253 0.5469 ( 12674 PWs) bands (ev): -16.5322 -16.5322 -16.3979 -16.3979 -16.3713 -16.3713 -16.3387 -16.3387 -13.6978 -13.6978 -13.6823 -13.6823 -2.6224 -2.6224 -2.5294 -2.5294 -1.4992 -1.4992 -1.3555 -1.3555 -1.2246 -1.2246 -1.1402 -1.1402 -1.0350 -1.0350 -0.7781 -0.7781 -0.0187 -0.0187 0.1820 0.1820 0.3608 0.3608 0.7373 0.7373 1.7153 1.7153 2.1159 2.1159 2.3547 2.3547 2.4061 2.4061 2.4907 2.4907 2.5341 2.5341 2.5943 2.5943 2.7174 2.7174 2.9419 2.9419 3.5106 3.5106 4.1452 4.1452 8.2419 8.2419 10.4881 10.4881 10.5661 10.5661 11.4856 11.4856 11.5216 11.5216 12.0459 12.0459 k = 0.5000 0.2253 0.5220 ( 12662 PWs) bands (ev): -16.5371 -16.5371 -16.3990 -16.3990 -16.3717 -16.3717 -16.3383 -16.3383 -13.6989 -13.6989 -13.6810 -13.6810 -2.6236 -2.6236 -2.5157 -2.5157 -1.4853 -1.4853 -1.3539 -1.3539 -1.2234 -1.2234 -1.1132 -1.1132 -1.0197 -1.0197 -0.7561 -0.7561 0.0058 0.0058 0.2098 0.2098 0.3824 0.3824 0.7518 0.7518 1.7176 1.7176 2.1239 2.1239 2.3415 2.3415 2.3899 2.3899 2.4780 2.4780 2.5341 2.5341 2.5802 2.5802 2.7062 2.7062 2.9307 2.9307 3.4359 3.4359 4.0958 4.0958 8.1777 8.1777 10.4534 10.4534 10.5426 10.5426 11.4819 11.4819 11.5147 11.5147 12.1168 12.1168 k = 0.5000 0.2253 0.4971 ( 12680 PWs) bands (ev): -16.5420 -16.5420 -16.4001 -16.4001 -16.3720 -16.3720 -16.3380 -16.3380 -13.7000 -13.7000 -13.6797 -13.6797 -2.6249 -2.6249 -2.5025 -2.5025 -1.4721 -1.4721 -1.3525 -1.3525 -1.2262 -1.2262 -1.0852 -1.0852 -1.0034 -1.0034 -0.7341 -0.7341 0.0225 0.0225 0.2474 0.2474 0.4066 0.4066 0.7667 0.7667 1.7197 1.7197 2.1342 2.1342 2.3261 2.3261 2.3752 2.3752 2.4650 2.4650 2.5327 2.5327 2.5665 2.5665 2.6959 2.6959 2.9200 2.9200 3.3625 3.3625 4.0444 4.0444 8.1152 8.1152 10.4155 10.4155 10.5110 10.5110 11.4850 11.4850 11.5069 11.5069 12.1877 12.1877 k = 0.5000 0.2253 0.4723 ( 12680 PWs) bands (ev): -16.5468 -16.5468 -16.4013 -16.4013 -16.3723 -16.3723 -16.3377 -16.3377 -13.7009 -13.7009 -13.6784 -13.6784 -2.6265 -2.6265 -2.4898 -2.4898 -1.4600 -1.4600 -1.3511 -1.3511 -1.2305 -1.2305 -1.0598 -1.0598 -0.9849 -0.9849 -0.7119 -0.7119 0.0334 0.0334 0.2922 0.2922 0.4339 0.4339 0.7822 0.7822 1.7217 1.7217 2.1465 2.1465 2.3081 2.3081 2.3624 2.3624 2.4517 2.4517 2.5287 2.5287 2.5538 2.5538 2.6870 2.6870 2.9098 2.9098 3.2911 3.2911 3.9913 3.9913 8.0546 8.0546 10.3756 10.3756 10.4723 10.4723 11.4875 11.4875 11.5045 11.5045 12.2574 12.2574 k = 0.5000 0.2253 0.4474 ( 12666 PWs) bands (ev): -16.5515 -16.5515 -16.4024 -16.4024 -16.3726 -16.3726 -16.3374 -16.3374 -13.7018 -13.7018 -13.6770 -13.6770 -2.6283 -2.6283 -2.4776 -2.4776 -1.4488 -1.4488 -1.3499 -1.3499 -1.2356 -1.2356 -1.0390 -1.0390 -0.9633 -0.9633 -0.6898 -0.6898 0.0408 0.0408 0.3410 0.3410 0.4647 0.4647 0.7982 0.7982 1.7235 1.7235 2.1603 2.1603 2.2877 2.2877 2.3515 2.3515 2.4382 2.4382 2.5207 2.5207 2.5432 2.5432 2.6798 2.6798 2.8996 2.8996 3.2227 3.2227 3.9366 3.9366 7.9960 7.9960 10.3342 10.3342 10.4282 10.4282 11.4730 11.4730 11.5228 11.5228 12.3188 12.3188 k = 0.5000 0.2253 0.4226 ( 12658 PWs) bands (ev): -16.5562 -16.5562 -16.4036 -16.4036 -16.3728 -16.3728 -16.3371 -16.3371 -13.7027 -13.7027 -13.6757 -13.6757 -2.6302 -2.6302 -2.4661 -2.4661 -1.4388 -1.4388 -1.3486 -1.3486 -1.2410 -1.2410 -1.0229 -1.0229 -0.9392 -0.9392 -0.6675 -0.6675 0.0466 0.0466 0.3910 0.3910 0.4999 0.4999 0.8146 0.8146 1.7251 1.7251 2.1749 2.1749 2.2659 2.2659 2.3420 2.3420 2.4247 2.4247 2.5085 2.5085 2.5344 2.5344 2.6744 2.6744 2.8888 2.8888 3.1584 3.1584 3.8803 3.8803 7.9396 7.9396 10.2919 10.2919 10.3802 10.3802 11.4523 11.4523 11.5494 11.5494 12.3126 12.3126 k = 0.5000 0.2253 0.3977 ( 12656 PWs) bands (ev): -16.5607 -16.5607 -16.4047 -16.4047 -16.3729 -16.3729 -16.3368 -16.3368 -13.7034 -13.7034 -13.6744 -13.6744 -2.6323 -2.6323 -2.4552 -2.4552 -1.4299 -1.4299 -1.3475 -1.3475 -1.2463 -1.2463 -1.0105 -1.0105 -0.9141 -0.9141 -0.6450 -0.6450 0.0516 0.0516 0.4401 0.4401 0.5406 0.5406 0.8315 0.8315 1.7267 1.7267 2.1883 2.1883 2.2445 2.2445 2.3336 2.3336 2.4113 2.4113 2.4935 2.4935 2.5258 2.5258 2.6709 2.6709 2.8765 2.8765 3.0998 3.0998 3.8228 3.8228 7.8856 7.8856 10.2490 10.2490 10.3302 10.3302 11.4283 11.4283 11.5808 11.5808 12.2620 12.2620 k = 0.5000 0.2253 0.3729 ( 12652 PWs) bands (ev): -16.5650 -16.5650 -16.4058 -16.4058 -16.3730 -16.3730 -16.3365 -16.3365 -13.7041 -13.7041 -13.6730 -13.6730 -2.6344 -2.6344 -2.4450 -2.4450 -1.4222 -1.4222 -1.3464 -1.3464 -1.2515 -1.2515 -1.0006 -1.0006 -0.8893 -0.8893 -0.6223 -0.6223 0.0565 0.0565 0.4869 0.4869 0.5869 0.5869 0.8488 0.8488 1.7281 1.7281 2.1914 2.1914 2.2323 2.2323 2.3260 2.3260 2.3980 2.3980 2.4769 2.4769 2.5163 2.5163 2.6691 2.6691 2.8612 2.8612 3.0491 3.0491 3.7642 3.7642 7.8341 7.8341 10.2061 10.2061 10.2793 10.2793 11.4019 11.4019 11.6155 11.6155 12.2095 12.2095 k = 0.5000 0.2253 0.3480 ( 12656 PWs) bands (ev): -16.5692 -16.5692 -16.4068 -16.4068 -16.3732 -16.3732 -16.3363 -16.3363 -13.7047 -13.7047 -13.6718 -13.6718 -2.6367 -2.6367 -2.4354 -2.4354 -1.4158 -1.4158 -1.3455 -1.3455 -1.2564 -1.2564 -0.9924 -0.9924 -0.8661 -0.8661 -0.5994 -0.5994 0.0615 0.0615 0.5312 0.5312 0.6383 0.6383 0.8665 0.8665 1.7293 1.7293 2.1729 2.1729 2.2399 2.2399 2.3192 2.3192 2.3851 2.3851 2.4591 2.4591 2.5059 2.5059 2.6686 2.6686 2.8412 2.8412 3.0089 3.0089 3.7047 3.7047 7.7852 7.7852 10.1634 10.1634 10.2286 10.2286 11.3740 11.3740 11.6520 11.6520 12.1589 12.1589 k = 0.5000 0.2253 0.3231 ( 12664 PWs) bands (ev): -16.5733 -16.5733 -16.4079 -16.4079 -16.3732 -16.3732 -16.3360 -16.3360 -13.7053 -13.7053 -13.6705 -13.6705 -2.6389 -2.6389 -2.4266 -2.4266 -1.4105 -1.4105 -1.3446 -1.3446 -1.2609 -1.2609 -0.9855 -0.9855 -0.8449 -0.8449 -0.5762 -0.5762 0.0667 0.0667 0.5740 0.5740 0.6931 0.6931 0.8845 0.8845 1.7304 1.7304 2.1448 2.1448 2.2544 2.2544 2.3131 2.3131 2.3726 2.3726 2.4403 2.4403 2.4951 2.4951 2.6689 2.6689 2.8160 2.8160 2.9801 2.9801 3.6447 3.6447 7.7391 7.7391 10.1216 10.1216 10.1791 10.1791 11.3454 11.3454 11.6895 11.6895 12.1111 12.1111 k = 0.5000 0.2253 0.2983 ( 12658 PWs) bands (ev): -16.5771 -16.5771 -16.4088 -16.4088 -16.3733 -16.3733 -16.3358 -16.3358 -13.7058 -13.7058 -13.6693 -13.6693 -2.6411 -2.6411 -2.4185 -2.4185 -1.4065 -1.4065 -1.3438 -1.3438 -1.2649 -1.2649 -0.9795 -0.9795 -0.8260 -0.8260 -0.5530 -0.5530 0.0721 0.0721 0.6161 0.6161 0.7495 0.7495 0.9028 0.9028 1.7314 1.7314 2.1126 2.1126 2.2691 2.2691 2.3078 2.3078 2.3608 2.3608 2.4209 2.4209 2.4847 2.4847 2.6695 2.6695 2.7879 2.7879 2.9616 2.9616 3.5845 3.5845 7.6959 7.6959 10.0809 10.0809 10.1314 10.1314 11.3166 11.3166 11.7270 11.7270 12.0663 12.0663 k = 0.5000 0.2253 0.2734 ( 12654 PWs) bands (ev): -16.5806 -16.5806 -16.4098 -16.4098 -16.3734 -16.3734 -16.3355 -16.3355 -13.7062 -13.7062 -13.6682 -13.6682 -2.6433 -2.6433 -2.4110 -2.4110 -1.4035 -1.4035 -1.3430 -1.3430 -1.2684 -1.2684 -0.9742 -0.9742 -0.8095 -0.8095 -0.5299 -0.5299 0.0778 0.0778 0.6581 0.6581 0.8060 0.8060 0.9216 0.9216 1.7322 1.7322 2.0772 2.0772 2.2811 2.2811 2.3036 2.3036 2.3498 2.3498 2.4013 2.4013 2.4757 2.4757 2.6699 2.6699 2.7599 2.7599 2.9503 2.9503 3.5245 3.5245 7.6557 7.6557 10.0418 10.0418 10.0860 10.0860 11.2882 11.2882 11.7637 11.7637 12.0249 12.0249 k = 0.5000 0.2253 0.2486 ( 12650 PWs) bands (ev): -16.5839 -16.5839 -16.4106 -16.4106 -16.3734 -16.3734 -16.3353 -16.3353 -13.7066 -13.7066 -13.6671 -13.6671 -2.6455 -2.6455 -2.4043 -2.4043 -1.4017 -1.4017 -1.3422 -1.3422 -1.2715 -1.2715 -0.9696 -0.9696 -0.7954 -0.7954 -0.5072 -0.5072 0.0836 0.0836 0.6999 0.6999 0.8609 0.8609 0.9414 0.9414 1.7327 1.7327 2.0391 2.0391 2.2874 2.2874 2.3019 2.3019 2.3398 2.3398 2.3824 2.3824 2.4697 2.4697 2.6693 2.6693 2.7350 2.7350 2.9438 2.9438 3.4653 3.4653 7.6186 7.6186 10.0047 10.0047 10.0433 10.0433 11.2609 11.2609 11.7989 11.7989 11.9869 11.9869 k = 0.5000 0.2253 0.2237 ( 12654 PWs) bands (ev): -16.5870 -16.5870 -16.4114 -16.4114 -16.3734 -16.3734 -16.3351 -16.3351 -13.7069 -13.7069 -13.6661 -13.6661 -2.6475 -2.6475 -2.3983 -2.3983 -1.4007 -1.4007 -1.3414 -1.3414 -1.2741 -1.2741 -0.9656 -0.9656 -0.7834 -0.7834 -0.4854 -0.4854 0.0893 0.0893 0.7414 0.7414 0.9114 0.9114 0.9644 0.9644 1.7327 1.7327 1.9983 1.9983 2.2872 2.2872 2.3019 2.3019 2.3307 2.3307 2.3652 2.3652 2.4679 2.4679 2.6668 2.6668 2.7152 2.7152 2.9401 2.9401 3.4073 3.4073 7.5847 7.5847 9.9699 9.9699 10.0038 10.0038 11.2349 11.2349 11.8318 11.8318 11.9526 11.9526 k = 0.5000 0.2253 0.1989 ( 12658 PWs) bands (ev): -16.5897 -16.5897 -16.4122 -16.4122 -16.3735 -16.3735 -16.3349 -16.3349 -13.7071 -13.7071 -13.6651 -13.6651 -2.6494 -2.6494 -2.3929 -2.3929 -1.4006 -1.4006 -1.3406 -1.3406 -1.2762 -1.2762 -0.9621 -0.9621 -0.7733 -0.7733 -0.4647 -0.4647 0.0950 0.0950 0.7820 0.7820 0.9502 0.9502 0.9970 0.9970 1.7318 1.7318 1.9558 1.9558 2.2843 2.2843 2.2996 2.2996 2.3220 2.3220 2.3511 2.3511 2.4711 2.4711 2.6611 2.6611 2.7017 2.7017 2.9384 2.9384 3.3514 3.3514 7.5542 7.5542 9.9379 9.9379 9.9676 9.9676 11.2108 11.2108 11.8609 11.8609 11.9226 11.9226 k = 0.5000 0.2253 0.1740 ( 12656 PWs) bands (ev): -16.5922 -16.5922 -16.4129 -16.4129 -16.3735 -16.3735 -16.3348 -16.3348 -13.7074 -13.7074 -13.6643 -13.6643 -2.6512 -2.6512 -2.3882 -2.3882 -1.4010 -1.4010 -1.3396 -1.3396 -1.2781 -1.2781 -0.9590 -0.9590 -0.7650 -0.7650 -0.4455 -0.4455 0.1004 0.1004 0.8209 0.8209 0.9751 0.9751 1.0411 1.0411 1.7290 1.7290 1.9129 1.9129 2.2807 2.2807 2.2943 2.2943 2.3132 2.3132 2.3403 2.3403 2.4787 2.4787 2.6522 2.6522 2.6941 2.6941 2.9379 2.9379 3.2982 3.2982 7.5270 7.5270 9.9090 9.9090 9.9350 9.9350 11.1887 11.1887 11.8789 11.8789 11.9040 11.9040 k = 0.5000 0.2253 0.1491 ( 12646 PWs) bands (ev): -16.5944 -16.5944 -16.4134 -16.4134 -16.3735 -16.3735 -16.3346 -16.3346 -13.7076 -13.7076 -13.6635 -13.6635 -2.6527 -2.6527 -2.3842 -2.3842 -1.4018 -1.4018 -1.3387 -1.3387 -1.2796 -1.2796 -0.9564 -0.9564 -0.7582 -0.7582 -0.4283 -0.4283 0.1054 0.1054 0.8572 0.8572 0.9937 0.9937 1.0886 1.0886 1.7222 1.7222 1.8724 1.8724 2.2768 2.2768 2.2873 2.2873 2.3056 2.3056 2.3315 2.3315 2.4897 2.4897 2.6418 2.6418 2.6900 2.6900 2.9381 2.9381 3.2487 3.2487 7.5032 7.5032 9.8835 9.8835 9.9062 9.9062 11.1691 11.1691 11.8649 11.8649 11.9167 11.9167 k = 0.5000 0.2253 0.1243 ( 12660 PWs) bands (ev): -16.5962 -16.5962 -16.4139 -16.4139 -16.3735 -16.3735 -16.3345 -16.3345 -13.7077 -13.7077 -13.6629 -13.6629 -2.6541 -2.6541 -2.3808 -2.3808 -1.4028 -1.4028 -1.3378 -1.3378 -1.2809 -1.2809 -0.9542 -0.9542 -0.7527 -0.7527 -0.4131 -0.4131 0.1099 0.1099 0.8897 0.8897 1.0097 1.0097 1.1355 1.1355 1.7082 1.7082 1.8386 1.8386 2.2727 2.2727 2.2803 2.2803 2.3000 2.3000 2.3241 2.3241 2.5028 2.5028 2.6313 2.6313 2.6874 2.6874 2.9387 2.9387 3.2039 3.2039 7.4830 7.4830 9.8615 9.8615 9.8815 9.8815 11.1520 11.1520 11.8458 11.8458 11.9332 11.9332 k = 0.5000 0.2253 0.0994 ( 12680 PWs) bands (ev): -16.5978 -16.5978 -16.4144 -16.4144 -16.3735 -16.3735 -16.3344 -16.3344 -13.7078 -13.7078 -13.6624 -13.6624 -2.6553 -2.6553 -2.3780 -2.3780 -1.4039 -1.4039 -1.3369 -1.3369 -1.2819 -1.2819 -0.9525 -0.9525 -0.7484 -0.7484 -0.4004 -0.4004 0.1138 0.1138 0.9172 0.9172 1.0240 1.0240 1.1805 1.1805 1.6840 1.6840 1.8158 1.8158 2.2682 2.2682 2.2747 2.2747 2.2960 2.2960 2.3179 2.3179 2.5171 2.5171 2.6210 2.6210 2.6853 2.6853 2.9395 2.9395 3.1649 3.1649 7.4664 7.4664 9.8433 9.8433 9.8609 9.8609 11.1378 11.1378 11.8295 11.8295 11.9451 11.9451 k = 0.5000 0.2253 0.0746 ( 12692 PWs) bands (ev): -16.5990 -16.5990 -16.4147 -16.4147 -16.3735 -16.3735 -16.3343 -16.3343 -13.7079 -13.7079 -13.6620 -13.6620 -2.6562 -2.6562 -2.3759 -2.3759 -1.4049 -1.4049 -1.3362 -1.3362 -1.2827 -1.2827 -0.9511 -0.9511 -0.7452 -0.7452 -0.3903 -0.3903 0.1170 0.1170 0.9389 0.9389 1.0363 1.0363 1.2223 1.2223 1.6519 1.6519 1.8036 1.8036 2.2639 2.2639 2.2708 2.2708 2.2934 2.2934 2.3130 2.3130 2.5319 2.5319 2.6107 2.6107 2.6836 2.6836 2.9402 2.9402 3.1330 3.1330 7.4534 7.4534 9.8291 9.8291 9.8447 9.8447 11.1266 11.1266 11.8166 11.8166 11.9521 11.9521 k = 0.5000 0.2253 0.0497 ( 12684 PWs) bands (ev): -16.5998 -16.5998 -16.4149 -16.4149 -16.3735 -16.3735 -16.3342 -16.3342 -13.7080 -13.7080 -13.6617 -13.6617 -2.6568 -2.6568 -2.3744 -2.3744 -1.4057 -1.4057 -1.3357 -1.3357 -1.2833 -1.2833 -0.9501 -0.9501 -0.7430 -0.7430 -0.3830 -0.3830 0.1193 0.1193 0.9542 0.9542 1.0461 1.0461 1.2585 1.2585 1.6190 1.6190 1.7979 1.7979 2.2606 2.2606 2.2681 2.2681 2.2917 2.2917 2.3094 2.3094 2.5466 2.5466 2.5999 2.5999 2.6821 2.6821 2.9408 2.9408 3.1092 3.1092 7.4441 7.4441 9.8189 9.8189 9.8330 9.8330 11.1185 11.1185 11.8074 11.8074 11.9553 11.9553 k = 0.5000 0.2253 0.0249 ( 12672 PWs) bands (ev): -16.6003 -16.6003 -16.4151 -16.4151 -16.3735 -16.3735 -16.3342 -16.3342 -13.7080 -13.7080 -13.6615 -13.6615 -2.6572 -2.6572 -2.3735 -2.3735 -1.4062 -1.4062 -1.3353 -1.3353 -1.2837 -1.2837 -0.9496 -0.9496 -0.7416 -0.7416 -0.3785 -0.3785 0.1208 0.1208 0.9633 0.9633 1.0524 1.0524 1.2846 1.2846 1.5936 1.5936 1.7955 1.7955 2.2586 2.2586 2.2665 2.2665 2.2907 2.2907 2.3073 2.3073 2.5607 2.5607 2.5885 2.5885 2.6812 2.6812 2.9412 2.9412 3.0946 3.0946 7.4385 7.4385 9.8128 9.8128 9.8259 9.8259 11.1137 11.1137 11.8018 11.8018 11.9563 11.9563 k = 0.5000 0.2253-0.0000 ( 12680 PWs) bands (ev): -16.6005 -16.6005 -16.4151 -16.4151 -16.3735 -16.3735 -16.3342 -16.3342 -13.7081 -13.7081 -13.6614 -13.6614 -2.6574 -2.6574 -2.3732 -2.3732 -1.4063 -1.4063 -1.3352 -1.3352 -1.2838 -1.2838 -0.9494 -0.9494 -0.7412 -0.7412 -0.3771 -0.3771 0.1212 0.1212 0.9662 0.9662 1.0546 1.0546 1.2945 1.2945 1.5837 1.5837 1.7949 1.7949 2.2579 2.2579 2.2660 2.2660 2.2904 2.2904 2.3067 2.3067 2.5707 2.5707 2.5795 2.5795 2.6808 2.6808 2.9413 2.9413 3.0896 3.0896 7.4366 7.4366 9.8108 9.8108 9.8235 9.8235 11.1120 11.1120 11.8000 11.8000 11.9565 11.9565 k = 0.0000 0.0000 1.2172 ( 12646 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6984 -13.6984 -13.6663 -13.6663 -2.8484 -2.8484 -2.6327 -2.6327 -1.8669 -1.8669 -1.7844 -1.7844 -1.4223 -1.4223 -1.3969 -1.3969 -1.2264 -1.2264 -1.0474 -1.0474 -0.6324 -0.6324 0.1307 0.1307 0.2845 0.2845 0.5486 0.5486 1.6715 1.6715 2.4104 2.4104 2.5209 2.5209 2.5711 2.5711 2.6326 2.6326 2.6685 2.6685 2.8813 2.8813 2.9562 2.9562 3.2209 3.2209 4.7582 4.7582 4.8931 4.8931 9.5205 9.5205 9.9111 9.9111 10.7862 10.7862 10.8032 10.8032 11.5674 11.5674 12.2392 12.2392 k = 0.0227 0.0102 1.2172 ( 12660 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6984 -13.6984 -13.6664 -13.6664 -2.8481 -2.8481 -2.6330 -2.6330 -1.8662 -1.8662 -1.7843 -1.7843 -1.4225 -1.4225 -1.3972 -1.3972 -1.2276 -1.2276 -1.0494 -1.0494 -0.6281 -0.6281 0.1309 0.1309 0.2837 0.2837 0.5482 0.5482 1.6707 1.6707 2.4108 2.4108 2.5202 2.5202 2.5714 2.5714 2.6323 2.6323 2.6685 2.6685 2.8821 2.8821 2.9564 2.9564 3.2208 3.2208 4.7582 4.7582 4.8931 4.8931 9.5209 9.5209 9.9137 9.9137 10.7691 10.7691 10.8090 10.8090 11.5795 11.5795 12.2426 12.2426 k = 0.0455 0.0205 1.2172 ( 12658 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6984 -13.6984 -13.6664 -13.6664 -2.8475 -2.8475 -2.6338 -2.6338 -1.8642 -1.8642 -1.7839 -1.7839 -1.4230 -1.4230 -1.3983 -1.3983 -1.2312 -1.2312 -1.0549 -1.0549 -0.6161 -0.6161 0.1315 0.1315 0.2814 0.2814 0.5470 0.5470 1.6681 1.6681 2.4120 2.4120 2.5184 2.5184 2.5723 2.5723 2.6316 2.6316 2.6684 2.6684 2.8845 2.8845 2.9569 2.9569 3.2207 3.2207 4.7580 4.7580 4.8931 4.8931 9.5219 9.5219 9.9212 9.9212 10.7344 10.7344 10.8115 10.8115 11.6142 11.6142 12.2527 12.2527 k = 0.0682 0.0307 1.2172 ( 12654 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6984 -13.6984 -13.6664 -13.6664 -2.8464 -2.8464 -2.6351 -2.6351 -1.8610 -1.8610 -1.7834 -1.7834 -1.4239 -1.4239 -1.3999 -1.3999 -1.2370 -1.2370 -1.0626 -1.0626 -0.5978 -0.5978 0.1324 0.1324 0.2776 0.2776 0.5450 0.5450 1.6642 1.6642 2.4141 2.4141 2.5154 2.5154 2.5738 2.5738 2.6304 2.6304 2.6684 2.6684 2.8881 2.8881 2.9576 2.9576 3.2204 3.2204 4.7576 4.7576 4.8930 4.8930 9.5235 9.5235 9.9337 9.9337 10.6888 10.6888 10.8086 10.8086 11.6673 11.6673 12.2689 12.2689 k = 0.0909 0.0410 1.2172 ( 12640 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6983 -13.6983 -13.6665 -13.6665 -2.8450 -2.8450 -2.6368 -2.6368 -1.8568 -1.8568 -1.7827 -1.7827 -1.4253 -1.4253 -1.4021 -1.4021 -1.2446 -1.2446 -1.0710 -1.0710 -0.5753 -0.5753 0.1337 0.1337 0.2724 0.2724 0.5426 0.5426 1.6591 1.6591 2.4169 2.4169 2.5115 2.5115 2.5758 2.5758 2.6288 2.6288 2.6683 2.6683 2.8927 2.8927 2.9586 2.9586 3.2201 3.2201 4.7572 4.7572 4.8930 4.8930 9.5256 9.5256 9.9510 9.9510 10.6358 10.6358 10.8020 10.8020 11.7340 11.7340 12.2902 12.2902 k = 0.1136 0.0512 1.2172 ( 12652 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6983 -13.6983 -13.6665 -13.6665 -2.8433 -2.8433 -2.6387 -2.6387 -1.8518 -1.8518 -1.7819 -1.7819 -1.4273 -1.4273 -1.4046 -1.4046 -1.2533 -1.2533 -1.0789 -1.0789 -0.5507 -0.5507 0.1354 0.1354 0.2659 0.2659 0.5398 0.5398 1.6534 1.6534 2.4204 2.4204 2.5067 2.5067 2.5783 2.5783 2.6268 2.6268 2.6682 2.6682 2.8979 2.8979 2.9596 2.9596 3.2198 3.2198 4.7568 4.7568 4.8930 4.8930 9.5280 9.5280 9.9729 9.9729 10.5785 10.5785 10.7932 10.7932 11.8103 11.8103 12.3154 12.3154 k = 0.1364 0.0614 1.2172 ( 12656 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6982 -13.6982 -13.6666 -13.6666 -2.8416 -2.8416 -2.6408 -2.6408 -1.8463 -1.8463 -1.7812 -1.7812 -1.4300 -1.4300 -1.4071 -1.4071 -1.2624 -1.2624 -1.0858 -1.0858 -0.5259 -0.5259 0.1375 0.1375 0.2586 0.2586 0.5369 0.5369 1.6475 1.6475 2.4245 2.4245 2.5014 2.5014 2.5810 2.5810 2.6245 2.6245 2.6681 2.6681 2.9033 2.9033 2.9607 2.9607 3.2194 3.2194 4.7563 4.7563 4.8929 4.8929 9.5305 9.5305 9.9992 9.9992 10.5195 10.5195 10.7837 10.7837 11.8931 11.8931 12.3428 12.3428 k = 0.1591 0.0717 1.2172 ( 12666 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6981 -13.6981 -13.6666 -13.6666 -2.8399 -2.8399 -2.6428 -2.6428 -1.8407 -1.8407 -1.7807 -1.7807 -1.4333 -1.4333 -1.4093 -1.4093 -1.2709 -1.2709 -1.0912 -1.0912 -0.5028 -0.5028 0.1400 0.1400 0.2508 0.2508 0.5342 0.5342 1.6419 1.6419 2.4290 2.4290 2.4957 2.4957 2.5840 2.5840 2.6219 2.6219 2.6681 2.6681 2.9084 2.9084 2.9618 2.9618 3.2190 3.2190 4.7558 4.7558 4.8929 4.8929 9.5329 9.5329 10.0294 10.0294 10.4609 10.4609 10.7743 10.7743 11.9794 11.9794 12.3705 12.3705 k = 0.1818 0.0819 1.2172 ( 12670 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6981 -13.6981 -13.6667 -13.6667 -2.8384 -2.8384 -2.6445 -2.6445 -1.8356 -1.8356 -1.7803 -1.7803 -1.4369 -1.4369 -1.4110 -1.4110 -1.2781 -1.2781 -1.0953 -1.0953 -0.4829 -0.4829 0.1426 0.1426 0.2432 0.2432 0.5318 0.5318 1.6370 1.6370 2.4336 2.4336 2.4901 2.4901 2.5870 2.5870 2.6193 2.6193 2.6680 2.6680 2.9128 2.9128 2.9627 2.9627 3.2187 3.2187 4.7554 4.7554 4.8929 4.8929 9.5350 9.5350 10.0625 10.0625 10.4046 10.4046 10.7661 10.7661 12.0666 12.0666 12.3961 12.3961 k = 0.2045 0.0922 1.2172 ( 12662 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6980 -13.6980 -13.6667 -13.6667 -2.8372 -2.8372 -2.6459 -2.6459 -1.8313 -1.8313 -1.7801 -1.7801 -1.4402 -1.4402 -1.4122 -1.4122 -1.2835 -1.2835 -1.0981 -1.0981 -0.4677 -0.4677 0.1451 0.1451 0.2366 0.2366 0.5300 0.5300 1.6332 1.6332 2.4379 2.4379 2.4850 2.4850 2.5897 2.5897 2.6168 2.6168 2.6679 2.6679 2.9163 2.9163 2.9634 2.9634 3.2185 3.2185 4.7551 4.7551 4.8928 4.8928 9.5367 9.5367 10.0967 10.0967 10.3535 10.3535 10.7597 10.7597 12.1501 12.1501 12.4167 12.4167 k = 0.2273 0.1024 1.2172 ( 12648 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6980 -13.6980 -13.6668 -13.6668 -2.8364 -2.8364 -2.6468 -2.6468 -1.8285 -1.8285 -1.7801 -1.7801 -1.4425 -1.4425 -1.4129 -1.4129 -1.2869 -1.2869 -1.0997 -1.0997 -0.4580 -0.4580 0.1469 0.1469 0.2321 0.2321 0.5288 0.5288 1.6309 1.6309 2.4412 2.4412 2.4812 2.4812 2.5918 2.5918 2.6149 2.6149 2.6679 2.6679 2.9184 2.9184 2.9639 2.9639 3.2183 3.2183 4.7549 4.7549 4.8928 4.8928 9.5378 9.5378 10.1269 10.1269 10.3130 10.3130 10.7556 10.7556 12.2202 12.2202 12.4292 12.4292 k = 0.2500 0.1126 1.2172 ( 12632 PWs) bands (ev): -16.4627 -16.4627 -16.3818 -16.3818 -16.3487 -16.3487 -16.3393 -16.3393 -13.6980 -13.6980 -13.6668 -13.6668 -2.8362 -2.8362 -2.6472 -2.6472 -1.8275 -1.8275 -1.7801 -1.7801 -1.4433 -1.4433 -1.4132 -1.4132 -1.2880 -1.2880 -1.1002 -1.1002 -0.4548 -0.4548 0.1476 0.1476 0.2305 0.2305 0.5284 0.5284 1.6301 1.6301 2.4425 2.4425 2.4797 2.4797 2.5925 2.5925 2.6142 2.6142 2.6679 2.6679 2.9192 2.9192 2.9640 2.9640 3.2183 3.2183 4.7548 4.7548 4.8928 4.8928 9.5382 9.5382 10.1407 10.1407 10.2958 10.2958 10.7542 10.7542 12.2515 12.2515 12.4323 12.4323 Writing output data file Cs2HgF4.save init_run : 0.94s CPU 2.44s WALL ( 1 calls) electrons : 1071.09s CPU 1077.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 1.25s WALL ( 1 calls) potinit : 0.07s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 1071.08s CPU 1077.05s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.22s CPU 0.27s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.26s WALL ( 300 calls) cegterg : 1005.37s CPU 1009.91s WALL ( 646 calls) Called by sum_band: Called by *egterg: h_psi : 837.48s CPU 840.76s WALL ( 10582 calls) s_psi : 16.60s CPU 16.87s WALL ( 10582 calls) g_psi : 1.12s CPU 1.21s WALL ( 9636 calls) cdiaghg : 115.74s CPU 117.26s WALL ( 9936 calls) cegterg:over : 32.39s CPU 32.29s WALL ( 9636 calls) cegterg:upda : 31.17s CPU 31.09s WALL ( 9636 calls) cegterg:last : 15.44s CPU 15.41s WALL ( 1546 calls) cdiaghg:chol : 6.63s CPU 6.83s WALL ( 9936 calls) cdiaghg:inve : 4.90s CPU 4.86s WALL ( 9936 calls) cdiaghg:para : 8.03s CPU 8.19s WALL ( 19872 calls) Called by h_psi: h_psi:vloc : 782.41s CPU 785.54s WALL ( 10582 calls) h_psi:vnl : 53.73s CPU 53.86s WALL ( 10582 calls) add_vuspsi : 30.38s CPU 30.35s WALL ( 10582 calls) General routines calbec : 23.29s CPU 23.48s WALL ( 10582 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 735.96s CPU 740.03s WALL ( 1329788 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.34s CPU 0.72s WALL ( 600 calls) Parallel routines fft_scatter : 154.62s CPU 155.06s WALL ( 1329811 calls) PWSCF : 18m33.12s CPU 19m 4.33s WALL This run was terminated on: 18:12:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=