Program PWSCF v.5.1.1 starts on 17Jul2015 at 20:43:24 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 49 28 8 1713 751 118 Max 50 29 9 1719 769 122 Sum 2393 1383 409 82369 36457 5739 bravais-lattice index = 14 lattice parameter (alat) = 10.4468 a.u. unit-cell volume = 837.0886 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.446783 celldm(2)= 0.851670 celldm(3)= 0.905611 celldm(4)= 0.306277 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.851670 0.000000 ) a(3) = ( 0.000000 0.277368 0.862090 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.174164 -0.377774 ) b(3) = ( 0.000000 0.000000 1.159972 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no 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 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 292 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0000000 0.0000000 0.0175753), wk = 0.0034247 k( 3) = ( 0.0000000 0.0000000 0.0351507), wk = 0.0034247 k( 4) = ( 0.0000000 0.0000000 0.0527260), wk = 0.0034247 k( 5) = ( 0.0000000 0.0000000 0.0703013), wk = 0.0034247 k( 6) = ( 0.0000000 0.0000000 0.0878767), wk = 0.0034247 k( 7) = ( 0.0000000 0.0000000 0.1054520), wk = 0.0034247 k( 8) = ( 0.0000000 0.0000000 0.1230273), wk = 0.0034247 k( 9) = ( 0.0000000 0.0000000 0.1406027), wk = 0.0034247 k( 10) = ( 0.0000000 0.0000000 0.1581780), wk = 0.0034247 k( 11) = ( 0.0000000 0.0000000 0.1757533), wk = 0.0034247 k( 12) = ( 0.0000000 0.0000000 0.1933287), wk = 0.0034247 k( 13) = ( 0.0000000 0.0000000 0.2109040), wk = 0.0034247 k( 14) = ( 0.0000000 0.0000000 0.2284793), wk = 0.0034247 k( 15) = ( 0.0000000 0.0000000 0.2460547), wk = 0.0034247 k( 16) = ( 0.0000000 0.0000000 0.2636300), wk = 0.0034247 k( 17) = ( 0.0000000 0.0000000 0.2812053), wk = 0.0034247 k( 18) = ( 0.0000000 0.0000000 0.2987807), wk = 0.0034247 k( 19) = ( 0.0000000 0.0000000 0.3163560), wk = 0.0034247 k( 20) = ( 0.0000000 0.0000000 0.3339313), wk = 0.0034247 k( 21) = ( 0.0000000 0.0000000 0.3515067), wk = 0.0034247 k( 22) = ( 0.0000000 0.0000000 0.3690820), wk = 0.0034247 k( 23) = ( 0.0000000 0.0000000 0.3866573), wk = 0.0034247 k( 24) = ( 0.0000000 0.0000000 0.4042327), wk = 0.0034247 k( 25) = ( 0.0000000 0.0000000 0.4218080), wk = 0.0034247 k( 26) = ( 0.0000000 0.0000000 0.4393833), wk = 0.0034247 k( 27) = ( 0.0000000 0.0000000 0.4569587), wk = 0.0034247 k( 28) = ( 0.0000000 0.0000000 0.4745340), wk = 0.0034247 k( 29) = ( 0.0000000 0.0000000 0.4921093), wk = 0.0034247 k( 30) = ( 0.0000000 0.0000000 0.5096847), wk = 0.0034247 k( 31) = ( 0.0000000 0.0000000 0.5272600), wk = 0.0034247 k( 32) = ( 0.0000000 0.0000000 0.5448353), wk = 0.0034247 k( 33) = ( 0.0000000 0.0000000 0.5624106), wk = 0.0034247 k( 34) = ( 0.0000000 0.0000000 0.5799860), wk = 0.0034247 k( 35) = ( 0.0000000 0.0000000 0.5799860), wk = 0.0034247 k( 36) = ( 0.0000000 0.0170833 0.5799860), wk = 0.0034247 k( 37) = ( 0.0000000 0.0341667 0.5799860), wk = 0.0034247 k( 38) = ( 0.0000000 0.0512500 0.5799860), wk = 0.0034247 k( 39) = ( 0.0000000 0.0683334 0.5799860), wk = 0.0034247 k( 40) = ( 0.0000000 0.0854167 0.5799860), wk = 0.0034247 k( 41) = ( 0.0000000 0.1025001 0.5799860), wk = 0.0034247 k( 42) = ( 0.0000000 0.1195834 0.5799860), wk = 0.0034247 k( 43) = ( 0.0000000 0.1366668 0.5799860), wk = 0.0034247 k( 44) = ( 0.0000000 0.1537501 0.5799860), wk = 0.0034247 k( 45) = ( 0.0000000 0.1708335 0.5799860), wk = 0.0034247 k( 46) = ( 0.0000000 0.1879168 0.5799860), wk = 0.0034247 k( 47) = ( 0.0000000 0.2050002 0.5799860), wk = 0.0034247 k( 48) = ( 0.0000000 0.2220835 0.5799860), wk = 0.0034247 k( 49) = ( 0.0000000 0.2391669 0.5799860), wk = 0.0034247 k( 50) = ( 0.0000000 0.2562502 0.5799860), wk = 0.0034247 k( 51) = ( 0.0000000 0.2733336 0.5799860), wk = 0.0034247 k( 52) = ( 0.0000000 0.2904169 0.5799860), wk = 0.0034247 k( 53) = ( 0.0000000 0.3075003 0.5799860), wk = 0.0034247 k( 54) = ( 0.0000000 0.3245836 0.5799860), wk = 0.0034247 k( 55) = ( 0.0000000 0.3416670 0.5799860), wk = 0.0034247 k( 56) = ( 0.0000000 0.3587503 0.5799860), wk = 0.0034247 k( 57) = ( 0.0000000 0.3758337 0.5799860), wk = 0.0034247 k( 58) = ( 0.0000000 0.3929170 0.5799860), wk = 0.0034247 k( 59) = ( 0.0000000 0.4100004 0.5799860), wk = 0.0034247 k( 60) = ( 0.0000000 0.4270837 0.5799860), wk = 0.0034247 k( 61) = ( 0.0000000 0.4441671 0.5799860), wk = 0.0034247 k( 62) = ( 0.0000000 0.4612504 0.5799860), wk = 0.0034247 k( 63) = ( 0.0000000 0.4612504 0.5799860), wk = 0.0034247 k( 64) = ( 0.0000000 0.4709298 0.5654562), wk = 0.0034247 k( 65) = ( 0.0000000 0.4806091 0.5509264), wk = 0.0034247 k( 66) = ( 0.0000000 0.4902885 0.5363967), wk = 0.0034247 k( 67) = ( 0.0000000 0.4999679 0.5218669), wk = 0.0034247 k( 68) = ( 0.0000000 0.5096472 0.5073371), wk = 0.0034247 k( 69) = ( 0.0000000 0.5193266 0.4928073), wk = 0.0034247 k( 70) = ( 0.0000000 0.5290059 0.4782775), wk = 0.0034247 k( 71) = ( 0.0000000 0.5386853 0.4637478), wk = 0.0034247 k( 72) = ( 0.0000000 0.5483647 0.4492180), wk = 0.0034247 k( 73) = ( 0.0000000 0.5580440 0.4346882), wk = 0.0034247 k( 74) = ( 0.0000000 0.5677234 0.4201584), wk = 0.0034247 k( 75) = ( 0.0000000 0.5774027 0.4056286), wk = 0.0034247 k( 76) = ( 0.0000000 0.5870821 0.3910989), wk = 0.0034247 k( 77) = ( 0.0000000 0.5870821 0.3910989), wk = 0.0034247 k( 78) = ( 0.0172414 0.5870821 0.3910989), wk = 0.0034247 k( 79) = ( 0.0344828 0.5870821 0.3910989), wk = 0.0034247 k( 80) = ( 0.0517241 0.5870821 0.3910989), wk = 0.0034247 k( 81) = ( 0.0689655 0.5870821 0.3910989), wk = 0.0034247 k( 82) = ( 0.0862069 0.5870821 0.3910989), wk = 0.0034247 k( 83) = ( 0.1034483 0.5870821 0.3910989), wk = 0.0034247 k( 84) = ( 0.1206897 0.5870821 0.3910989), wk = 0.0034247 k( 85) = ( 0.1379310 0.5870821 0.3910989), wk = 0.0034247 k( 86) = ( 0.1551724 0.5870821 0.3910989), wk = 0.0034247 k( 87) = ( 0.1724138 0.5870821 0.3910989), wk = 0.0034247 k( 88) = ( 0.1896552 0.5870821 0.3910989), wk = 0.0034247 k( 89) = ( 0.2068966 0.5870821 0.3910989), wk = 0.0034247 k( 90) = ( 0.2241379 0.5870821 0.3910989), wk = 0.0034247 k( 91) = ( 0.2413793 0.5870821 0.3910989), wk = 0.0034247 k( 92) = ( 0.2586207 0.5870821 0.3910989), wk = 0.0034247 k( 93) = ( 0.2758621 0.5870821 0.3910989), wk = 0.0034247 k( 94) = ( 0.2931034 0.5870821 0.3910989), wk = 0.0034247 k( 95) = ( 0.3103448 0.5870821 0.3910989), wk = 0.0034247 k( 96) = ( 0.3275862 0.5870821 0.3910989), wk = 0.0034247 k( 97) = ( 0.3448276 0.5870821 0.3910989), wk = 0.0034247 k( 98) = ( 0.3620690 0.5870821 0.3910989), wk = 0.0034247 k( 99) = ( 0.3793103 0.5870821 0.3910989), wk = 0.0034247 k( 100) = ( 0.3965517 0.5870821 0.3910989), wk = 0.0034247 k( 101) = ( 0.4137931 0.5870821 0.3910989), wk = 0.0034247 k( 102) = ( 0.4310345 0.5870821 0.3910989), wk = 0.0034247 k( 103) = ( 0.4482759 0.5870821 0.3910989), wk = 0.0034247 k( 104) = ( 0.4655172 0.5870821 0.3910989), wk = 0.0034247 k( 105) = ( 0.4827586 0.5870821 0.3910989), wk = 0.0034247 k( 106) = ( 0.5000000 0.5870821 0.3910989), wk = 0.0034247 k( 107) = ( 0.5000000 0.5870821 0.3910989), wk = 0.0034247 k( 108) = ( 0.5000000 0.5967615 0.3765691), wk = 0.0034247 k( 109) = ( 0.5000000 0.6064408 0.3620393), wk = 0.0034247 k( 110) = ( 0.5000000 0.6161202 0.3475095), wk = 0.0034247 k( 111) = ( 0.5000000 0.6257996 0.3329798), wk = 0.0034247 k( 112) = ( 0.5000000 0.6354789 0.3184500), wk = 0.0034247 k( 113) = ( 0.5000000 0.6451583 0.3039202), wk = 0.0034247 k( 114) = ( 0.5000000 0.6548376 0.2893904), wk = 0.0034247 k( 115) = ( 0.5000000 0.6645170 0.2748606), wk = 0.0034247 k( 116) = ( 0.5000000 0.6741964 0.2603309), wk = 0.0034247 k( 117) = ( 0.5000000 0.6838757 0.2458011), wk = 0.0034247 k( 118) = ( 0.5000000 0.6935551 0.2312713), wk = 0.0034247 k( 119) = ( 0.5000000 0.7032345 0.2167415), wk = 0.0034247 k( 120) = ( 0.5000000 0.7129138 0.2022117), wk = 0.0034247 k( 121) = ( 0.5000000 0.7129138 0.2022117), wk = 0.0034247 k( 122) = ( 0.5000000 0.7076708 0.1859160), wk = 0.0034247 k( 123) = ( 0.5000000 0.7024278 0.1696202), wk = 0.0034247 k( 124) = ( 0.5000000 0.6971848 0.1533244), wk = 0.0034247 k( 125) = ( 0.5000000 0.6919419 0.1370286), wk = 0.0034247 k( 126) = ( 0.5000000 0.6866989 0.1207328), wk = 0.0034247 k( 127) = ( 0.5000000 0.6814559 0.1044370), wk = 0.0034247 k( 128) = ( 0.5000000 0.6762129 0.0881412), wk = 0.0034247 k( 129) = ( 0.5000000 0.6709699 0.0718455), wk = 0.0034247 k( 130) = ( 0.5000000 0.6657269 0.0555497), wk = 0.0034247 k( 131) = ( 0.5000000 0.6604839 0.0392539), wk = 0.0034247 k( 132) = ( 0.5000000 0.6552409 0.0229581), wk = 0.0034247 k( 133) = ( 0.5000000 0.6499980 0.0066623), wk = 0.0034247 k( 134) = ( 0.5000000 0.6447550 -0.0096335), wk = 0.0034247 k( 135) = ( 0.5000000 0.6395120 -0.0259293), wk = 0.0034247 k( 136) = ( 0.5000000 0.6342690 -0.0422250), wk = 0.0034247 k( 137) = ( 0.5000000 0.6290260 -0.0585208), wk = 0.0034247 k( 138) = ( 0.5000000 0.6237830 -0.0748166), wk = 0.0034247 k( 139) = ( 0.5000000 0.6185400 -0.0911124), wk = 0.0034247 k( 140) = ( 0.5000000 0.6132971 -0.1074082), wk = 0.0034247 k( 141) = ( 0.5000000 0.6080541 -0.1237040), wk = 0.0034247 k( 142) = ( 0.5000000 0.6028111 -0.1399998), wk = 0.0034247 k( 143) = ( 0.5000000 0.5975681 -0.1562956), wk = 0.0034247 k( 144) = ( 0.5000000 0.5923251 -0.1725913), wk = 0.0034247 k( 145) = ( 0.5000000 0.5870821 -0.1888871), wk = 0.0034247 k( 146) = ( 0.5000000 0.5870821 -0.1888871), wk = 0.0034247 k( 147) = ( 0.4827586 0.5870821 -0.1888871), wk = 0.0034247 k( 148) = ( 0.4655172 0.5870821 -0.1888871), wk = 0.0034247 k( 149) = ( 0.4482759 0.5870821 -0.1888871), wk = 0.0034247 k( 150) = ( 0.4310345 0.5870821 -0.1888871), wk = 0.0034247 k( 151) = ( 0.4137931 0.5870821 -0.1888871), wk = 0.0034247 k( 152) = ( 0.3965517 0.5870821 -0.1888871), wk = 0.0034247 k( 153) = ( 0.3793103 0.5870821 -0.1888871), wk = 0.0034247 k( 154) = ( 0.3620690 0.5870821 -0.1888871), wk = 0.0034247 k( 155) = ( 0.3448276 0.5870821 -0.1888871), wk = 0.0034247 k( 156) = ( 0.3275862 0.5870821 -0.1888871), wk = 0.0034247 k( 157) = ( 0.3103448 0.5870821 -0.1888871), wk = 0.0034247 k( 158) = ( 0.2931034 0.5870821 -0.1888871), wk = 0.0034247 k( 159) = ( 0.2758621 0.5870821 -0.1888871), wk = 0.0034247 k( 160) = ( 0.2586207 0.5870821 -0.1888871), wk = 0.0034247 k( 161) = ( 0.2413793 0.5870821 -0.1888871), wk = 0.0034247 k( 162) = ( 0.2241379 0.5870821 -0.1888871), wk = 0.0034247 k( 163) = ( 0.2068966 0.5870821 -0.1888871), wk = 0.0034247 k( 164) = ( 0.1896552 0.5870821 -0.1888871), wk = 0.0034247 k( 165) = ( 0.1724138 0.5870821 -0.1888871), wk = 0.0034247 k( 166) = ( 0.1551724 0.5870821 -0.1888871), wk = 0.0034247 k( 167) = ( 0.1379310 0.5870821 -0.1888871), wk = 0.0034247 k( 168) = ( 0.1206897 0.5870821 -0.1888871), wk = 0.0034247 k( 169) = ( 0.1034483 0.5870821 -0.1888871), wk = 0.0034247 k( 170) = ( 0.0862069 0.5870821 -0.1888871), wk = 0.0034247 k( 171) = ( 0.0689655 0.5870821 -0.1888871), wk = 0.0034247 k( 172) = ( 0.0517241 0.5870821 -0.1888871), wk = 0.0034247 k( 173) = ( 0.0344828 0.5870821 -0.1888871), wk = 0.0034247 k( 174) = ( 0.0172414 0.5870821 -0.1888871), wk = 0.0034247 k( 175) = ( 0.0000000 0.5870821 -0.1888871), wk = 0.0034247 k( 176) = ( 0.0000000 0.5870821 -0.1888871), wk = 0.0034247 k( 177) = ( 0.0000000 0.5923251 -0.1725913), wk = 0.0034247 k( 178) = ( 0.0000000 0.5975681 -0.1562956), wk = 0.0034247 k( 179) = ( 0.0000000 0.6028111 -0.1399998), wk = 0.0034247 k( 180) = ( 0.0000000 0.6080541 -0.1237040), wk = 0.0034247 k( 181) = ( 0.0000000 0.6132971 -0.1074082), wk = 0.0034247 k( 182) = ( 0.0000000 0.6185400 -0.0911124), wk = 0.0034247 k( 183) = ( 0.0000000 0.6237830 -0.0748166), wk = 0.0034247 k( 184) = ( 0.0000000 0.6290260 -0.0585208), wk = 0.0034247 k( 185) = ( 0.0000000 0.6342690 -0.0422250), wk = 0.0034247 k( 186) = ( 0.0000000 0.6395120 -0.0259293), wk = 0.0034247 k( 187) = ( 0.0000000 0.6447550 -0.0096335), wk = 0.0034247 k( 188) = ( 0.0000000 0.6499980 0.0066623), wk = 0.0034247 k( 189) = ( 0.0000000 0.6552409 0.0229581), wk = 0.0034247 k( 190) = ( 0.0000000 0.6604839 0.0392539), wk = 0.0034247 k( 191) = ( 0.0000000 0.6657269 0.0555497), wk = 0.0034247 k( 192) = ( 0.0000000 0.6709699 0.0718455), wk = 0.0034247 k( 193) = ( 0.0000000 0.6762129 0.0881412), wk = 0.0034247 k( 194) = ( 0.0000000 0.6814559 0.1044370), wk = 0.0034247 k( 195) = ( 0.0000000 0.6866989 0.1207328), wk = 0.0034247 k( 196) = ( 0.0000000 0.6919419 0.1370286), wk = 0.0034247 k( 197) = ( 0.0000000 0.6971848 0.1533244), wk = 0.0034247 k( 198) = ( 0.0000000 0.7024278 0.1696202), wk = 0.0034247 k( 199) = ( 0.0000000 0.7076708 0.1859160), wk = 0.0034247 k( 200) = ( 0.0000000 0.7129138 0.2022117), wk = 0.0034247 k( 201) = ( 0.5000000 0.4612504 0.5799860), wk = 0.0034247 k( 202) = ( 0.5000000 0.4441671 0.5799860), wk = 0.0034247 k( 203) = ( 0.5000000 0.4270837 0.5799860), wk = 0.0034247 k( 204) = ( 0.5000000 0.4100004 0.5799860), wk = 0.0034247 k( 205) = ( 0.5000000 0.3929170 0.5799860), wk = 0.0034247 k( 206) = ( 0.5000000 0.3758337 0.5799860), wk = 0.0034247 k( 207) = ( 0.5000000 0.3587503 0.5799860), wk = 0.0034247 k( 208) = ( 0.5000000 0.3416670 0.5799860), wk = 0.0034247 k( 209) = ( 0.5000000 0.3245836 0.5799860), wk = 0.0034247 k( 210) = ( 0.5000000 0.3075003 0.5799860), wk = 0.0034247 k( 211) = ( 0.5000000 0.2904169 0.5799860), wk = 0.0034247 k( 212) = ( 0.5000000 0.2733336 0.5799860), wk = 0.0034247 k( 213) = ( 0.5000000 0.2562502 0.5799860), wk = 0.0034247 k( 214) = ( 0.5000000 0.2391669 0.5799860), wk = 0.0034247 k( 215) = ( 0.5000000 0.2220835 0.5799860), wk = 0.0034247 k( 216) = ( 0.5000000 0.2050002 0.5799860), wk = 0.0034247 k( 217) = ( 0.5000000 0.1879168 0.5799860), wk = 0.0034247 k( 218) = ( 0.5000000 0.1708335 0.5799860), wk = 0.0034247 k( 219) = ( 0.5000000 0.1537501 0.5799860), wk = 0.0034247 k( 220) = ( 0.5000000 0.1366668 0.5799860), wk = 0.0034247 k( 221) = ( 0.5000000 0.1195834 0.5799860), wk = 0.0034247 k( 222) = ( 0.5000000 0.1025001 0.5799860), wk = 0.0034247 k( 223) = ( 0.5000000 0.0854167 0.5799860), wk = 0.0034247 k( 224) = ( 0.5000000 0.0683334 0.5799860), wk = 0.0034247 k( 225) = ( 0.5000000 0.0512500 0.5799860), wk = 0.0034247 k( 226) = ( 0.5000000 0.0341667 0.5799860), wk = 0.0034247 k( 227) = ( 0.5000000 0.0170833 0.5799860), wk = 0.0034247 k( 228) = ( 0.5000000 -0.0000000 0.5799860), wk = 0.0034247 k( 229) = ( 0.5000000 -0.0000000 0.5799860), wk = 0.0034247 k( 230) = ( 0.5000000 -0.0000000 0.5624106), wk = 0.0034247 k( 231) = ( 0.5000000 -0.0000000 0.5448353), wk = 0.0034247 k( 232) = ( 0.5000000 -0.0000000 0.5272600), wk = 0.0034247 k( 233) = ( 0.5000000 -0.0000000 0.5096847), wk = 0.0034247 k( 234) = ( 0.5000000 -0.0000000 0.4921093), wk = 0.0034247 k( 235) = ( 0.5000000 -0.0000000 0.4745340), wk = 0.0034247 k( 236) = ( 0.5000000 -0.0000000 0.4569587), wk = 0.0034247 k( 237) = ( 0.5000000 -0.0000000 0.4393833), wk = 0.0034247 k( 238) = ( 0.5000000 -0.0000000 0.4218080), wk = 0.0034247 k( 239) = ( 0.5000000 -0.0000000 0.4042327), wk = 0.0034247 k( 240) = ( 0.5000000 -0.0000000 0.3866573), wk = 0.0034247 k( 241) = ( 0.5000000 -0.0000000 0.3690820), wk = 0.0034247 k( 242) = ( 0.5000000 -0.0000000 0.3515067), wk = 0.0034247 k( 243) = ( 0.5000000 -0.0000000 0.3339313), wk = 0.0034247 k( 244) = ( 0.5000000 -0.0000000 0.3163560), wk = 0.0034247 k( 245) = ( 0.5000000 -0.0000000 0.2987807), wk = 0.0034247 k( 246) = ( 0.5000000 -0.0000000 0.2812053), wk = 0.0034247 k( 247) = ( 0.5000000 -0.0000000 0.2636300), wk = 0.0034247 k( 248) = ( 0.5000000 -0.0000000 0.2460547), wk = 0.0034247 k( 249) = ( 0.5000000 -0.0000000 0.2284793), wk = 0.0034247 k( 250) = ( 0.5000000 -0.0000000 0.2109040), wk = 0.0034247 k( 251) = ( 0.5000000 -0.0000000 0.1933287), wk = 0.0034247 k( 252) = ( 0.5000000 -0.0000000 0.1757533), wk = 0.0034247 k( 253) = ( 0.5000000 -0.0000000 0.1581780), wk = 0.0034247 k( 254) = ( 0.5000000 -0.0000000 0.1406027), wk = 0.0034247 k( 255) = ( 0.5000000 -0.0000000 0.1230273), wk = 0.0034247 k( 256) = ( 0.5000000 -0.0000000 0.1054520), wk = 0.0034247 k( 257) = ( 0.5000000 -0.0000000 0.0878767), wk = 0.0034247 k( 258) = ( 0.5000000 -0.0000000 0.0703013), wk = 0.0034247 k( 259) = ( 0.5000000 -0.0000000 0.0527260), wk = 0.0034247 k( 260) = ( 0.5000000 -0.0000000 0.0351507), wk = 0.0034247 k( 261) = ( 0.5000000 -0.0000000 0.0175753), wk = 0.0034247 k( 262) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034247 k( 263) = ( 0.0000000 0.0000000 0.5799860), wk = 0.0034247 k( 264) = ( 0.0172414 -0.0000000 0.5799860), wk = 0.0034247 k( 265) = ( 0.0344828 -0.0000000 0.5799860), wk = 0.0034247 k( 266) = ( 0.0517241 -0.0000000 0.5799860), wk = 0.0034247 k( 267) = ( 0.0689655 -0.0000000 0.5799860), wk = 0.0034247 k( 268) = ( 0.0862069 -0.0000000 0.5799860), wk = 0.0034247 k( 269) = ( 0.1034483 -0.0000000 0.5799860), wk = 0.0034247 k( 270) = ( 0.1206897 -0.0000000 0.5799860), wk = 0.0034247 k( 271) = ( 0.1379310 -0.0000000 0.5799860), wk = 0.0034247 k( 272) = ( 0.1551724 -0.0000000 0.5799860), wk = 0.0034247 k( 273) = ( 0.1724138 -0.0000000 0.5799860), wk = 0.0034247 k( 274) = ( 0.1896552 -0.0000000 0.5799860), wk = 0.0034247 k( 275) = ( 0.2068966 -0.0000000 0.5799860), wk = 0.0034247 k( 276) = ( 0.2241379 -0.0000000 0.5799860), wk = 0.0034247 k( 277) = ( 0.2413793 -0.0000000 0.5799860), wk = 0.0034247 k( 278) = ( 0.2586207 -0.0000000 0.5799860), wk = 0.0034247 k( 279) = ( 0.2758621 -0.0000000 0.5799860), wk = 0.0034247 k( 280) = ( 0.2931034 -0.0000000 0.5799860), wk = 0.0034247 k( 281) = ( 0.3103448 -0.0000000 0.5799860), wk = 0.0034247 k( 282) = ( 0.3275862 -0.0000000 0.5799860), wk = 0.0034247 k( 283) = ( 0.3448276 -0.0000000 0.5799860), wk = 0.0034247 k( 284) = ( 0.3620690 -0.0000000 0.5799860), wk = 0.0034247 k( 285) = ( 0.3793103 -0.0000000 0.5799860), wk = 0.0034247 k( 286) = ( 0.3965517 -0.0000000 0.5799860), wk = 0.0034247 k( 287) = ( 0.4137931 -0.0000000 0.5799860), wk = 0.0034247 k( 288) = ( 0.4310345 -0.0000000 0.5799860), wk = 0.0034247 k( 289) = ( 0.4482759 -0.0000000 0.5799860), wk = 0.0034247 k( 290) = ( 0.4655172 -0.0000000 0.5799860), wk = 0.0034247 k( 291) = ( 0.4827586 -0.0000000 0.5799860), wk = 0.0034247 k( 292) = ( 0.5000000 -0.0000000 0.5799860), wk = 0.0034247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034247 k( 2) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0034247 k( 3) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0034247 k( 4) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0034247 k( 5) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0034247 k( 6) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0034247 k( 7) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0034247 k( 8) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0034247 k( 9) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0034247 k( 10) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0034247 k( 11) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0034247 k( 12) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034247 k( 13) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0034247 k( 14) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0034247 k( 15) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0034247 k( 16) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0034247 k( 17) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0034247 k( 18) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0034247 k( 19) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0034247 k( 20) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0034247 k( 21) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0034247 k( 22) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0034247 k( 23) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034247 k( 24) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0034247 k( 25) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0034247 k( 26) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0034247 k( 27) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0034247 k( 28) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0034247 k( 29) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0034247 k( 30) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0034247 k( 31) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0034247 k( 32) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0034247 k( 33) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0034247 k( 34) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 35) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 36) = ( 0.0000000 0.0145494 0.5047384), wk = 0.0034247 k( 37) = ( 0.0000000 0.0290987 0.5094767), wk = 0.0034247 k( 38) = ( 0.0000000 0.0436481 0.5142151), wk = 0.0034247 k( 39) = ( 0.0000000 0.0581975 0.5189535), wk = 0.0034247 k( 40) = ( 0.0000000 0.0727469 0.5236918), wk = 0.0034247 k( 41) = ( 0.0000000 0.0872962 0.5284302), wk = 0.0034247 k( 42) = ( 0.0000000 0.1018456 0.5331686), wk = 0.0034247 k( 43) = ( 0.0000000 0.1163949 0.5379070), wk = 0.0034247 k( 44) = ( 0.0000000 0.1309443 0.5426453), wk = 0.0034247 k( 45) = ( 0.0000000 0.1454937 0.5473837), wk = 0.0034247 k( 46) = ( 0.0000000 0.1600431 0.5521221), wk = 0.0034247 k( 47) = ( 0.0000000 0.1745924 0.5568604), wk = 0.0034247 k( 48) = ( 0.0000000 0.1891418 0.5615988), wk = 0.0034247 k( 49) = ( 0.0000000 0.2036912 0.5663372), wk = 0.0034247 k( 50) = ( 0.0000000 0.2182405 0.5710756), wk = 0.0034247 k( 51) = ( 0.0000000 0.2327899 0.5758139), wk = 0.0034247 k( 52) = ( 0.0000000 0.2473393 0.5805523), wk = 0.0034247 k( 53) = ( 0.0000000 0.2618886 0.5852907), wk = 0.0034247 k( 54) = ( 0.0000000 0.2764380 0.5900290), wk = 0.0034247 k( 55) = ( 0.0000000 0.2909874 0.5947674), wk = 0.0034247 k( 56) = ( 0.0000000 0.3055368 0.5995058), wk = 0.0034247 k( 57) = ( 0.0000000 0.3200861 0.6042441), wk = 0.0034247 k( 58) = ( 0.0000000 0.3346355 0.6089825), wk = 0.0034247 k( 59) = ( 0.0000000 0.3491849 0.6137209), wk = 0.0034247 k( 60) = ( 0.0000000 0.3637342 0.6184593), wk = 0.0034247 k( 61) = ( 0.0000000 0.3782836 0.6231976), wk = 0.0034247 k( 62) = ( 0.0000000 0.3928330 0.6279360), wk = 0.0034247 k( 63) = ( 0.0000000 0.3928330 0.6279360), wk = 0.0034247 k( 64) = ( 0.0000000 0.4010766 0.6180948), wk = 0.0034247 k( 65) = ( 0.0000000 0.4093202 0.6082535), wk = 0.0034247 k( 66) = ( 0.0000000 0.4175638 0.5984123), wk = 0.0034247 k( 67) = ( 0.0000000 0.4258074 0.5885711), wk = 0.0034247 k( 68) = ( 0.0000000 0.4340511 0.5787298), wk = 0.0034247 k( 69) = ( 0.0000000 0.4422947 0.5688886), wk = 0.0034247 k( 70) = ( 0.0000000 0.4505383 0.5590474), wk = 0.0034247 k( 71) = ( 0.0000000 0.4587819 0.5492061), wk = 0.0034247 k( 72) = ( 0.0000000 0.4670255 0.5393649), wk = 0.0034247 k( 73) = ( 0.0000000 0.4752691 0.5295237), wk = 0.0034247 k( 74) = ( 0.0000000 0.4835128 0.5196825), wk = 0.0034247 k( 75) = ( 0.0000000 0.4917564 0.5098412), wk = 0.0034247 k( 76) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 77) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0034247 k( 78) = ( 0.0172414 0.5000000 0.5000000), wk = 0.0034247 k( 79) = ( 0.0344828 0.5000000 0.5000000), wk = 0.0034247 k( 80) = ( 0.0517241 0.5000000 0.5000000), wk = 0.0034247 k( 81) = ( 0.0689655 0.5000000 0.5000000), wk = 0.0034247 k( 82) = ( 0.0862069 0.5000000 0.5000000), wk = 0.0034247 k( 83) = ( 0.1034483 0.5000000 0.5000000), wk = 0.0034247 k( 84) = ( 0.1206897 0.5000000 0.5000000), wk = 0.0034247 k( 85) = ( 0.1379310 0.5000000 0.5000000), wk = 0.0034247 k( 86) = ( 0.1551724 0.5000000 0.5000000), wk = 0.0034247 k( 87) = ( 0.1724138 0.5000000 0.5000000), wk = 0.0034247 k( 88) = ( 0.1896552 0.5000000 0.5000000), wk = 0.0034247 k( 89) = ( 0.2068966 0.5000000 0.5000000), wk = 0.0034247 k( 90) = ( 0.2241379 0.5000000 0.5000000), wk = 0.0034247 k( 91) = ( 0.2413793 0.5000000 0.5000000), wk = 0.0034247 k( 92) = ( 0.2586207 0.5000000 0.5000000), wk = 0.0034247 k( 93) = ( 0.2758621 0.5000000 0.5000000), wk = 0.0034247 k( 94) = ( 0.2931034 0.5000000 0.5000000), wk = 0.0034247 k( 95) = ( 0.3103448 0.5000000 0.5000000), wk = 0.0034247 k( 96) = ( 0.3275862 0.5000000 0.5000000), wk = 0.0034247 k( 97) = ( 0.3448276 0.5000000 0.5000000), wk = 0.0034247 k( 98) = ( 0.3620690 0.5000000 0.5000000), wk = 0.0034247 k( 99) = ( 0.3793103 0.5000000 0.5000000), wk = 0.0034247 k( 100) = ( 0.3965517 0.5000000 0.5000000), wk = 0.0034247 k( 101) = ( 0.4137931 0.5000000 0.5000000), wk = 0.0034247 k( 102) = ( 0.4310345 0.5000000 0.5000000), wk = 0.0034247 k( 103) = ( 0.4482759 0.5000000 0.5000000), wk = 0.0034247 k( 104) = ( 0.4655172 0.5000000 0.5000000), wk = 0.0034247 k( 105) = ( 0.4827586 0.5000000 0.5000000), wk = 0.0034247 k( 106) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034247 k( 108) = ( 0.5000000 0.5082436 0.4901588), wk = 0.0034247 k( 109) = ( 0.5000000 0.5164872 0.4803175), wk = 0.0034247 k( 110) = ( 0.5000000 0.5247308 0.4704763), wk = 0.0034247 k( 111) = ( 0.5000000 0.5329745 0.4606351), wk = 0.0034247 k( 112) = ( 0.5000000 0.5412181 0.4507939), wk = 0.0034247 k( 113) = ( 0.5000000 0.5494617 0.4409526), wk = 0.0034247 k( 114) = ( 0.5000000 0.5577053 0.4311114), wk = 0.0034247 k( 115) = ( 0.5000000 0.5659489 0.4212702), wk = 0.0034247 k( 116) = ( 0.5000000 0.5741926 0.4114289), wk = 0.0034247 k( 117) = ( 0.5000000 0.5824362 0.4015877), wk = 0.0034247 k( 118) = ( 0.5000000 0.5906798 0.3917465), wk = 0.0034247 k( 119) = ( 0.5000000 0.5989234 0.3819052), wk = 0.0034247 k( 120) = ( 0.5000000 0.6071670 0.3720640), wk = 0.0034247 k( 121) = ( 0.5000000 0.6071670 0.3720640), wk = 0.0034247 k( 122) = ( 0.5000000 0.6027017 0.3565613), wk = 0.0034247 k( 123) = ( 0.5000000 0.5982365 0.3410587), wk = 0.0034247 k( 124) = ( 0.5000000 0.5937712 0.3255560), wk = 0.0034247 k( 125) = ( 0.5000000 0.5893059 0.3100533), wk = 0.0034247 k( 126) = ( 0.5000000 0.5848406 0.2945507), wk = 0.0034247 k( 127) = ( 0.5000000 0.5803753 0.2790480), wk = 0.0034247 k( 128) = ( 0.5000000 0.5759100 0.2635453), wk = 0.0034247 k( 129) = ( 0.5000000 0.5714447 0.2480427), wk = 0.0034247 k( 130) = ( 0.5000000 0.5669794 0.2325400), wk = 0.0034247 k( 131) = ( 0.5000000 0.5625141 0.2170373), wk = 0.0034247 k( 132) = ( 0.5000000 0.5580488 0.2015347), wk = 0.0034247 k( 133) = ( 0.5000000 0.5535835 0.1860320), wk = 0.0034247 k( 134) = ( 0.5000000 0.5491182 0.1705293), wk = 0.0034247 k( 135) = ( 0.5000000 0.5446529 0.1550267), wk = 0.0034247 k( 136) = ( 0.5000000 0.5401876 0.1395240), wk = 0.0034247 k( 137) = ( 0.5000000 0.5357223 0.1240213), wk = 0.0034247 k( 138) = ( 0.5000000 0.5312571 0.1085187), wk = 0.0034247 k( 139) = ( 0.5000000 0.5267918 0.0930160), wk = 0.0034247 k( 140) = ( 0.5000000 0.5223265 0.0775133), wk = 0.0034247 k( 141) = ( 0.5000000 0.5178612 0.0620107), wk = 0.0034247 k( 142) = ( 0.5000000 0.5133959 0.0465080), wk = 0.0034247 k( 143) = ( 0.5000000 0.5089306 0.0310053), wk = 0.0034247 k( 144) = ( 0.5000000 0.5044653 0.0155027), wk = 0.0034247 k( 145) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034247 k( 146) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034247 k( 147) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0034247 k( 148) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0034247 k( 149) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0034247 k( 150) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0034247 k( 151) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0034247 k( 152) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0034247 k( 153) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0034247 k( 154) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0034247 k( 155) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0034247 k( 156) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0034247 k( 157) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0034247 k( 158) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0034247 k( 159) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0034247 k( 160) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0034247 k( 161) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0034247 k( 162) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0034247 k( 163) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0034247 k( 164) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0034247 k( 165) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0034247 k( 166) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0034247 k( 167) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0034247 k( 168) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0034247 k( 169) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0034247 k( 170) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0034247 k( 171) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0034247 k( 172) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0034247 k( 173) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0034247 k( 174) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0034247 k( 175) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034247 k( 176) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034247 k( 177) = ( 0.0000000 0.5044653 0.0155027), wk = 0.0034247 k( 178) = ( 0.0000000 0.5089306 0.0310053), wk = 0.0034247 k( 179) = ( 0.0000000 0.5133959 0.0465080), wk = 0.0034247 k( 180) = ( 0.0000000 0.5178612 0.0620107), wk = 0.0034247 k( 181) = ( 0.0000000 0.5223265 0.0775133), wk = 0.0034247 k( 182) = ( 0.0000000 0.5267918 0.0930160), wk = 0.0034247 k( 183) = ( 0.0000000 0.5312571 0.1085187), wk = 0.0034247 k( 184) = ( 0.0000000 0.5357223 0.1240213), wk = 0.0034247 k( 185) = ( 0.0000000 0.5401876 0.1395240), wk = 0.0034247 k( 186) = ( 0.0000000 0.5446529 0.1550267), wk = 0.0034247 k( 187) = ( 0.0000000 0.5491182 0.1705293), wk = 0.0034247 k( 188) = ( 0.0000000 0.5535835 0.1860320), wk = 0.0034247 k( 189) = ( 0.0000000 0.5580488 0.2015347), wk = 0.0034247 k( 190) = ( 0.0000000 0.5625141 0.2170373), wk = 0.0034247 k( 191) = ( 0.0000000 0.5669794 0.2325400), wk = 0.0034247 k( 192) = ( 0.0000000 0.5714447 0.2480427), wk = 0.0034247 k( 193) = ( 0.0000000 0.5759100 0.2635453), wk = 0.0034247 k( 194) = ( 0.0000000 0.5803753 0.2790480), wk = 0.0034247 k( 195) = ( 0.0000000 0.5848406 0.2945507), wk = 0.0034247 k( 196) = ( 0.0000000 0.5893059 0.3100533), wk = 0.0034247 k( 197) = ( 0.0000000 0.5937712 0.3255560), wk = 0.0034247 k( 198) = ( 0.0000000 0.5982365 0.3410587), wk = 0.0034247 k( 199) = ( 0.0000000 0.6027017 0.3565613), wk = 0.0034247 k( 200) = ( 0.0000000 0.6071670 0.3720640), wk = 0.0034247 k( 201) = ( 0.5000000 0.3928330 0.6279360), wk = 0.0034247 k( 202) = ( 0.5000000 0.3782836 0.6231976), wk = 0.0034247 k( 203) = ( 0.5000000 0.3637342 0.6184593), wk = 0.0034247 k( 204) = ( 0.5000000 0.3491849 0.6137209), wk = 0.0034247 k( 205) = ( 0.5000000 0.3346355 0.6089825), wk = 0.0034247 k( 206) = ( 0.5000000 0.3200861 0.6042441), wk = 0.0034247 k( 207) = ( 0.5000000 0.3055368 0.5995058), wk = 0.0034247 k( 208) = ( 0.5000000 0.2909874 0.5947674), wk = 0.0034247 k( 209) = ( 0.5000000 0.2764380 0.5900290), wk = 0.0034247 k( 210) = ( 0.5000000 0.2618886 0.5852907), wk = 0.0034247 k( 211) = ( 0.5000000 0.2473393 0.5805523), wk = 0.0034247 k( 212) = ( 0.5000000 0.2327899 0.5758139), wk = 0.0034247 k( 213) = ( 0.5000000 0.2182405 0.5710756), wk = 0.0034247 k( 214) = ( 0.5000000 0.2036912 0.5663372), wk = 0.0034247 k( 215) = ( 0.5000000 0.1891418 0.5615988), wk = 0.0034247 k( 216) = ( 0.5000000 0.1745924 0.5568604), wk = 0.0034247 k( 217) = ( 0.5000000 0.1600431 0.5521221), wk = 0.0034247 k( 218) = ( 0.5000000 0.1454937 0.5473837), wk = 0.0034247 k( 219) = ( 0.5000000 0.1309443 0.5426453), wk = 0.0034247 k( 220) = ( 0.5000000 0.1163949 0.5379070), wk = 0.0034247 k( 221) = ( 0.5000000 0.1018456 0.5331686), wk = 0.0034247 k( 222) = ( 0.5000000 0.0872962 0.5284302), wk = 0.0034247 k( 223) = ( 0.5000000 0.0727469 0.5236918), wk = 0.0034247 k( 224) = ( 0.5000000 0.0581975 0.5189535), wk = 0.0034247 k( 225) = ( 0.5000000 0.0436481 0.5142151), wk = 0.0034247 k( 226) = ( 0.5000000 0.0290987 0.5094767), wk = 0.0034247 k( 227) = ( 0.5000000 0.0145494 0.5047384), wk = 0.0034247 k( 228) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 229) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 k( 230) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0034247 k( 231) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0034247 k( 232) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0034247 k( 233) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0034247 k( 234) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0034247 k( 235) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0034247 k( 236) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0034247 k( 237) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0034247 k( 238) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0034247 k( 239) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0034247 k( 240) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034247 k( 241) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0034247 k( 242) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0034247 k( 243) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0034247 k( 244) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0034247 k( 245) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0034247 k( 246) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0034247 k( 247) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0034247 k( 248) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0034247 k( 249) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0034247 k( 250) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0034247 k( 251) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034247 k( 252) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0034247 k( 253) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0034247 k( 254) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0034247 k( 255) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0034247 k( 256) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0034247 k( 257) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0034247 k( 258) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0034247 k( 259) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0034247 k( 260) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0034247 k( 261) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0034247 k( 262) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034247 k( 263) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034247 k( 264) = ( 0.0172414 0.0000000 0.5000000), wk = 0.0034247 k( 265) = ( 0.0344828 0.0000000 0.5000000), wk = 0.0034247 k( 266) = ( 0.0517241 0.0000000 0.5000000), wk = 0.0034247 k( 267) = ( 0.0689655 0.0000000 0.5000000), wk = 0.0034247 k( 268) = ( 0.0862069 0.0000000 0.5000000), wk = 0.0034247 k( 269) = ( 0.1034483 0.0000000 0.5000000), wk = 0.0034247 k( 270) = ( 0.1206897 0.0000000 0.5000000), wk = 0.0034247 k( 271) = ( 0.1379310 0.0000000 0.5000000), wk = 0.0034247 k( 272) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0034247 k( 273) = ( 0.1724138 0.0000000 0.5000000), wk = 0.0034247 k( 274) = ( 0.1896552 -0.0000000 0.5000000), wk = 0.0034247 k( 275) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0034247 k( 276) = ( 0.2241379 -0.0000000 0.5000000), wk = 0.0034247 k( 277) = ( 0.2413793 0.0000000 0.5000000), wk = 0.0034247 k( 278) = ( 0.2586207 0.0000000 0.5000000), wk = 0.0034247 k( 279) = ( 0.2758621 0.0000000 0.5000000), wk = 0.0034247 k( 280) = ( 0.2931034 0.0000000 0.5000000), wk = 0.0034247 k( 281) = ( 0.3103448 -0.0000000 0.5000000), wk = 0.0034247 k( 282) = ( 0.3275862 0.0000000 0.5000000), wk = 0.0034247 k( 283) = ( 0.3448276 0.0000000 0.5000000), wk = 0.0034247 k( 284) = ( 0.3620690 0.0000000 0.5000000), wk = 0.0034247 k( 285) = ( 0.3793103 -0.0000000 0.5000000), wk = 0.0034247 k( 286) = ( 0.3965517 0.0000000 0.5000000), wk = 0.0034247 k( 287) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0034247 k( 288) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0034247 k( 289) = ( 0.4482759 -0.0000000 0.5000000), wk = 0.0034247 k( 290) = ( 0.4655172 0.0000000 0.5000000), wk = 0.0034247 k( 291) = ( 0.4827586 0.0000000 0.5000000), wk = 0.0034247 k( 292) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034247 Dense grid: 82369 G-vectors FFT dimensions: ( 60, 54, 60) Smooth grid: 36457 G-vectors FFT dimensions: ( 45, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 196, 76) NL pseudopotentials 0.25 Mb ( 98, 168) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.01 Mb ( 1715) G-vector shells 0.01 Mb ( 1691) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.91 Mb ( 196, 304) Each subspace H/S matrix 1.41 Mb ( 304, 304) Each matrix 0.39 Mb ( 168, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.2 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.8 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.4 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 72.1 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 80.7 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.4 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.1 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 106.8 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 115.5 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.3 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.9 secs Computing kpt #: 12 total cpu time spent up to now is 140.3 secs Computing kpt #: 13 total cpu time spent up to now is 147.8 secs Computing kpt #: 14 total cpu time spent up to now is 153.5 secs Computing kpt #: 15 total cpu time spent up to now is 160.7 secs Computing kpt #: 16 total cpu time spent up to now is 167.7 secs Computing kpt #: 17 total cpu time spent up to now is 173.8 secs Computing kpt #: 18 total cpu time spent up to now is 180.9 secs Computing kpt #: 19 total cpu time spent up to now is 187.5 secs Computing kpt #: 20 total cpu time spent up to now is 194.1 secs Computing kpt #: 21 total cpu time spent up to now is 201.2 secs Computing kpt #: 22 total cpu time spent up to now is 206.9 secs Computing kpt #: 23 total cpu time spent up to now is 212.4 secs Computing kpt #: 24 total cpu time spent up to now is 219.3 secs Computing kpt #: 25 total cpu time spent up to now is 224.8 secs Computing kpt #: 26 total cpu time spent up to now is 230.1 secs Computing kpt #: 27 total cpu time spent up to now is 235.4 secs Computing kpt #: 28 total cpu time spent up to now is 240.3 secs Computing kpt #: 29 total cpu time spent up to now is 245.3 secs Computing kpt #: 30 total cpu time spent up to now is 250.2 secs Computing kpt #: 31 total cpu time spent up to now is 255.2 secs Computing kpt #: 32 total cpu time spent up to now is 260.1 secs Computing kpt #: 33 total cpu time spent up to now is 265.0 secs Computing kpt #: 34 total cpu time spent up to now is 269.9 secs Computing kpt #: 35 total cpu time spent up to now is 274.6 secs Computing kpt #: 36 total cpu time spent up to now is 279.5 secs Computing kpt #: 37 total cpu time spent up to now is 284.4 secs Computing kpt #: 38 total cpu time spent up to now is 289.4 secs Computing kpt #: 39 total cpu time spent up to now is 294.3 secs Computing kpt #: 40 total cpu time spent up to now is 299.2 secs Computing kpt #: 41 total cpu time spent up to now is 304.2 secs Computing kpt #: 42 total cpu time spent up to now is 309.1 secs Computing kpt #: 43 total cpu time spent up to now is 314.1 secs Computing kpt #: 44 total cpu time spent up to now is 319.3 secs Computing kpt #: 45 total cpu time spent up to now is 324.6 secs Computing kpt #: 46 total cpu time spent up to now is 330.0 secs Computing kpt #: 47 total cpu time spent up to now is 335.5 secs Computing kpt #: 48 total cpu time spent up to now is 341.0 secs Computing kpt #: 49 total cpu time spent up to now is 346.5 secs Computing kpt #: 50 total cpu time spent up to now is 353.0 secs Computing kpt #: 51 total cpu time spent up to now is 359.0 secs Computing kpt #: 52 total cpu time spent up to now is 365.9 secs Computing kpt #: 53 total cpu time spent up to now is 372.0 secs Computing kpt #: 54 total cpu time spent up to now is 378.0 secs Computing kpt #: 55 total cpu time spent up to now is 383.6 secs Computing kpt #: 56 total cpu time spent up to now is 389.0 secs Computing kpt #: 57 total cpu time spent up to now is 394.4 secs Computing kpt #: 58 total cpu time spent up to now is 400.3 secs Computing kpt #: 59 total cpu time spent up to now is 406.2 secs Computing kpt #: 60 total cpu time spent up to now is 411.6 secs Computing kpt #: 61 total cpu time spent up to now is 418.7 secs Computing kpt #: 62 total cpu time spent up to now is 424.2 secs Computing kpt #: 63 total cpu time spent up to now is 429.5 secs Computing kpt #: 64 total cpu time spent up to now is 434.9 secs Computing kpt #: 65 total cpu time spent up to now is 440.3 secs Computing kpt #: 66 total cpu time spent up to now is 445.8 secs Computing kpt #: 67 total cpu time spent up to now is 451.3 secs Computing kpt #: 68 total cpu time spent up to now is 456.5 secs Computing kpt #: 69 total cpu time spent up to now is 463.0 secs Computing kpt #: 70 total cpu time spent up to now is 468.5 secs Computing kpt #: 71 total cpu time spent up to now is 474.2 secs Computing kpt #: 72 total cpu time spent up to now is 479.4 secs Computing kpt #: 73 total cpu time spent up to now is 484.5 secs Computing kpt #: 74 total cpu time spent up to now is 489.8 secs Computing kpt #: 75 total cpu time spent up to now is 494.8 secs Computing kpt #: 76 total cpu time spent up to now is 500.0 secs Computing kpt #: 77 total cpu time spent up to now is 505.1 secs Computing kpt #: 78 total cpu time spent up to now is 510.2 secs Computing kpt #: 79 total cpu time spent up to now is 515.3 secs Computing kpt #: 80 total cpu time spent up to now is 520.6 secs Computing kpt #: 81 total cpu time spent up to now is 525.7 secs Computing kpt #: 82 total cpu time spent up to now is 530.8 secs Computing kpt #: 83 total cpu time spent up to now is 536.0 secs Computing kpt #: 84 total cpu time spent up to now is 541.8 secs Computing kpt #: 85 total cpu time spent up to now is 547.0 secs Computing kpt #: 86 total cpu time spent up to now is 552.5 secs Computing kpt #: 87 total cpu time spent up to now is 558.7 secs Computing kpt #: 88 total cpu time spent up to now is 564.9 secs Computing kpt #: 89 total cpu time spent up to now is 570.1 secs Computing kpt #: 90 total cpu time spent up to now is 575.5 secs Computing kpt #: 91 total cpu time spent up to now is 580.8 secs Computing kpt #: 92 total cpu time spent up to now is 586.0 secs Computing kpt #: 93 total cpu time spent up to now is 591.4 secs Computing kpt #: 94 total cpu time spent up to now is 597.1 secs Computing kpt #: 95 total cpu time spent up to now is 602.2 secs Computing kpt #: 96 total cpu time spent up to now is 607.4 secs Computing kpt #: 97 total cpu time spent up to now is 612.6 secs Computing kpt #: 98 total cpu time spent up to now is 617.7 secs Computing kpt #: 99 total cpu time spent up to now is 622.9 secs Computing kpt #: 100 total cpu time spent up to now is 628.4 secs Computing kpt #: 101 total cpu time spent up to now is 634.0 secs Computing kpt #: 102 total cpu time spent up to now is 640.6 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 649.6 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 658.5 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 667.5 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 676.1 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 684.5 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 693.6 secs Computing kpt #: 109 total cpu time spent up to now is 701.7 secs Computing kpt #: 110 total cpu time spent up to now is 708.7 secs Computing kpt #: 111 total cpu time spent up to now is 715.1 secs Computing kpt #: 112 total cpu time spent up to now is 721.4 secs Computing kpt #: 113 total cpu time spent up to now is 727.5 secs Computing kpt #: 114 total cpu time spent up to now is 733.2 secs Computing kpt #: 115 total cpu time spent up to now is 738.9 secs Computing kpt #: 116 total cpu time spent up to now is 744.4 secs Computing kpt #: 117 total cpu time spent up to now is 749.7 secs Computing kpt #: 118 total cpu time spent up to now is 755.3 secs Computing kpt #: 119 total cpu time spent up to now is 760.5 secs Computing kpt #: 120 total cpu time spent up to now is 765.8 secs Computing kpt #: 121 total cpu time spent up to now is 771.1 secs Computing kpt #: 122 total cpu time spent up to now is 776.9 secs Computing kpt #: 123 total cpu time spent up to now is 782.1 secs Computing kpt #: 124 total cpu time spent up to now is 787.7 secs Computing kpt #: 125 total cpu time spent up to now is 793.0 secs Computing kpt #: 126 total cpu time spent up to now is 798.2 secs Computing kpt #: 127 total cpu time spent up to now is 803.4 secs Computing kpt #: 128 total cpu time spent up to now is 808.9 secs Computing kpt #: 129 total cpu time spent up to now is 814.0 secs Computing kpt #: 130 total cpu time spent up to now is 819.1 secs Computing kpt #: 131 total cpu time spent up to now is 824.6 secs Computing kpt #: 132 total cpu time spent up to now is 829.9 secs Computing kpt #: 133 total cpu time spent up to now is 835.1 secs Computing kpt #: 134 total cpu time spent up to now is 840.3 secs Computing kpt #: 135 total cpu time spent up to now is 845.6 secs Computing kpt #: 136 total cpu time spent up to now is 850.6 secs Computing kpt #: 137 total cpu time spent up to now is 856.3 secs Computing kpt #: 138 total cpu time spent up to now is 861.6 secs Computing kpt #: 139 total cpu time spent up to now is 867.0 secs Computing kpt #: 140 total cpu time spent up to now is 872.0 secs Computing kpt #: 141 total cpu time spent up to now is 877.7 secs Computing kpt #: 142 total cpu time spent up to now is 883.2 secs Computing kpt #: 143 total cpu time spent up to now is 888.7 secs Computing kpt #: 144 total cpu time spent up to now is 894.2 secs Computing kpt #: 145 total cpu time spent up to now is 900.2 secs Computing kpt #: 146 total cpu time spent up to now is 906.2 secs Computing kpt #: 147 total cpu time spent up to now is 912.4 secs Computing kpt #: 148 total cpu time spent up to now is 919.1 secs Computing kpt #: 149 total cpu time spent up to now is 924.7 secs Computing kpt #: 150 total cpu time spent up to now is 930.9 secs Computing kpt #: 151 total cpu time spent up to now is 937.6 secs Computing kpt #: 152 total cpu time spent up to now is 943.2 secs Computing kpt #: 153 total cpu time spent up to now is 948.7 secs Computing kpt #: 154 total cpu time spent up to now is 954.4 secs Computing kpt #: 155 total cpu time spent up to now is 959.8 secs Computing kpt #: 156 total cpu time spent up to now is 965.2 secs Computing kpt #: 157 total cpu time spent up to now is 970.8 secs Computing kpt #: 158 total cpu time spent up to now is 976.0 secs Computing kpt #: 159 total cpu time spent up to now is 981.9 secs Computing kpt #: 160 total cpu time spent up to now is 987.2 secs Computing kpt #: 161 total cpu time spent up to now is 992.7 secs Computing kpt #: 162 total cpu time spent up to now is 998.3 secs Computing kpt #: 163 total cpu time spent up to now is 1003.9 secs Computing kpt #: 164 total cpu time spent up to now is 1009.3 secs Computing kpt #: 165 total cpu time spent up to now is 1014.7 secs Computing kpt #: 166 total cpu time spent up to now is 1019.9 secs Computing kpt #: 167 total cpu time spent up to now is 1025.1 secs Computing kpt #: 168 total cpu time spent up to now is 1030.5 secs Computing kpt #: 169 total cpu time spent up to now is 1035.8 secs Computing kpt #: 170 total cpu time spent up to now is 1041.0 secs Computing kpt #: 171 total cpu time spent up to now is 1046.5 secs Computing kpt #: 172 total cpu time spent up to now is 1051.6 secs Computing kpt #: 173 total cpu time spent up to now is 1056.7 secs Computing kpt #: 174 total cpu time spent up to now is 1062.0 secs Computing kpt #: 175 total cpu time spent up to now is 1067.3 secs Computing kpt #: 176 total cpu time spent up to now is 1072.6 secs Computing kpt #: 177 total cpu time spent up to now is 1077.7 secs Computing kpt #: 178 total cpu time spent up to now is 1082.8 secs Computing kpt #: 179 total cpu time spent up to now is 1088.1 secs Computing kpt #: 180 total cpu time spent up to now is 1093.4 secs Computing kpt #: 181 total cpu time spent up to now is 1098.7 secs Computing kpt #: 182 total cpu time spent up to now is 1104.1 secs Computing kpt #: 183 total cpu time spent up to now is 1109.2 secs Computing kpt #: 184 total cpu time spent up to now is 1114.5 secs Computing kpt #: 185 total cpu time spent up to now is 1119.9 secs Computing kpt #: 186 total cpu time spent up to now is 1125.4 secs Computing kpt #: 187 total cpu time spent up to now is 1130.7 secs Computing kpt #: 188 total cpu time spent up to now is 1136.5 secs Computing kpt #: 189 total cpu time spent up to now is 1143.4 secs Computing kpt #: 190 total cpu time spent up to now is 1148.9 secs Computing kpt #: 191 total cpu time spent up to now is 1154.4 secs Computing kpt #: 192 total cpu time spent up to now is 1161.5 secs Computing kpt #: 193 total cpu time spent up to now is 1167.6 secs Computing kpt #: 194 total cpu time spent up to now is 1175.0 secs Computing kpt #: 195 total cpu time spent up to now is 1182.4 secs Computing kpt #: 196 total cpu time spent up to now is 1188.5 secs Computing kpt #: 197 total cpu time spent up to now is 1194.0 secs Computing kpt #: 198 total cpu time spent up to now is 1201.1 secs Computing kpt #: 199 total cpu time spent up to now is 1207.1 secs Computing kpt #: 200 total cpu time spent up to now is 1212.6 secs Computing kpt #: 201 total cpu time spent up to now is 1217.7 secs Computing kpt #: 202 total cpu time spent up to now is 1223.0 secs Computing kpt #: 203 total cpu time spent up to now is 1228.2 secs Computing kpt #: 204 total cpu time spent up to now is 1233.4 secs Computing kpt #: 205 total cpu time spent up to now is 1238.7 secs Computing kpt #: 206 total cpu time spent up to now is 1244.2 secs Computing kpt #: 207 total cpu time spent up to now is 1249.4 secs Computing kpt #: 208 total cpu time spent up to now is 1254.6 secs Computing kpt #: 209 total cpu time spent up to now is 1259.8 secs Computing kpt #: 210 total cpu time spent up to now is 1265.1 secs Computing kpt #: 211 total cpu time spent up to now is 1270.3 secs Computing kpt #: 212 total cpu time spent up to now is 1275.6 secs Computing kpt #: 213 total cpu time spent up to now is 1280.7 secs Computing kpt #: 214 total cpu time spent up to now is 1285.9 secs Computing kpt #: 215 total cpu time spent up to now is 1291.1 secs Computing kpt #: 216 total cpu time spent up to now is 1296.3 secs Computing kpt #: 217 total cpu time spent up to now is 1302.0 secs Computing kpt #: 218 total cpu time spent up to now is 1307.3 secs Computing kpt #: 219 total cpu time spent up to now is 1312.7 secs Computing kpt #: 220 total cpu time spent up to now is 1318.5 secs Computing kpt #: 221 total cpu time spent up to now is 1324.1 secs Computing kpt #: 222 total cpu time spent up to now is 1329.9 secs Computing kpt #: 223 total cpu time spent up to now is 1335.5 secs Computing kpt #: 224 total cpu time spent up to now is 1341.0 secs Computing kpt #: 225 total cpu time spent up to now is 1346.5 secs Computing kpt #: 226 total cpu time spent up to now is 1352.2 secs Computing kpt #: 227 total cpu time spent up to now is 1357.9 secs Computing kpt #: 228 total cpu time spent up to now is 1363.2 secs Computing kpt #: 229 total cpu time spent up to now is 1368.9 secs Computing kpt #: 230 total cpu time spent up to now is 1374.8 secs Computing kpt #: 231 total cpu time spent up to now is 1380.4 secs Computing kpt #: 232 total cpu time spent up to now is 1386.4 secs Computing kpt #: 233 total cpu time spent up to now is 1391.8 secs Computing kpt #: 234 total cpu time spent up to now is 1397.3 secs Computing kpt #: 235 total cpu time spent up to now is 1403.0 secs Computing kpt #: 236 total cpu time spent up to now is 1408.2 secs Computing kpt #: 237 total cpu time spent up to now is 1413.6 secs Computing kpt #: 238 total cpu time spent up to now is 1419.0 secs Computing kpt #: 239 total cpu time spent up to now is 1424.2 secs Computing kpt #: 240 total cpu time spent up to now is 1429.8 secs Computing kpt #: 241 total cpu time spent up to now is 1434.9 secs Computing kpt #: 242 total cpu time spent up to now is 1440.3 secs Computing kpt #: 243 total cpu time spent up to now is 1445.7 secs Computing kpt #: 244 total cpu time spent up to now is 1451.1 secs Computing kpt #: 245 total cpu time spent up to now is 1456.5 secs Computing kpt #: 246 total cpu time spent up to now is 1462.4 secs Computing kpt #: 247 total cpu time spent up to now is 1468.3 secs Computing kpt #: 248 total cpu time spent up to now is 1474.8 secs Computing kpt #: 249 total cpu time spent up to now is 1481.9 secs Computing kpt #: 250 total cpu time spent up to now is 1489.5 secs Computing kpt #: 251 total cpu time spent up to now is 1498.0 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1506.8 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1515.4 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1524.1 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1532.8 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1541.4 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1550.1 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1558.8 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1567.5 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1576.2 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1584.9 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1593.1 secs Computing kpt #: 263 total cpu time spent up to now is 1597.9 secs Computing kpt #: 264 total cpu time spent up to now is 1602.9 secs Computing kpt #: 265 total cpu time spent up to now is 1607.9 secs Computing kpt #: 266 total cpu time spent up to now is 1612.8 secs Computing kpt #: 267 total cpu time spent up to now is 1617.9 secs Computing kpt #: 268 total cpu time spent up to now is 1622.9 secs Computing kpt #: 269 total cpu time spent up to now is 1627.8 secs Computing kpt #: 270 total cpu time spent up to now is 1632.9 secs Computing kpt #: 271 total cpu time spent up to now is 1638.0 secs Computing kpt #: 272 total cpu time spent up to now is 1642.9 secs Computing kpt #: 273 total cpu time spent up to now is 1648.0 secs Computing kpt #: 274 total cpu time spent up to now is 1653.2 secs Computing kpt #: 275 total cpu time spent up to now is 1658.5 secs Computing kpt #: 276 total cpu time spent up to now is 1663.9 secs Computing kpt #: 277 total cpu time spent up to now is 1669.2 secs Computing kpt #: 278 total cpu time spent up to now is 1674.3 secs Computing kpt #: 279 total cpu time spent up to now is 1679.7 secs Computing kpt #: 280 total cpu time spent up to now is 1684.9 secs Computing kpt #: 281 total cpu time spent up to now is 1690.2 secs Computing kpt #: 282 total cpu time spent up to now is 1695.9 secs Computing kpt #: 283 total cpu time spent up to now is 1701.2 secs Computing kpt #: 284 total cpu time spent up to now is 1706.6 secs Computing kpt #: 285 total cpu time spent up to now is 1712.0 secs Computing kpt #: 286 total cpu time spent up to now is 1717.2 secs Computing kpt #: 287 total cpu time spent up to now is 1722.6 secs Computing kpt #: 288 total cpu time spent up to now is 1728.0 secs Computing kpt #: 289 total cpu time spent up to now is 1733.6 secs Computing kpt #: 290 total cpu time spent up to now is 1739.0 secs Computing kpt #: 291 total cpu time spent up to now is 1744.4 secs Computing kpt #: 292 total cpu time spent up to now is 1749.9 secs ethr = 1.56E-11, avg # of iterations = 59.0 total cpu time spent up to now is 1750.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4561 PWs) bands (ev): -15.0999 -15.0999 -13.3493 -13.3493 -13.1378 -13.1378 -13.0422 -13.0422 -12.6411 -12.6411 -12.3957 -12.3957 -12.1550 -12.1550 -12.1503 -12.1503 -3.4403 -3.4403 -2.6981 -2.6981 -2.4582 -2.4582 -0.7984 -0.7984 -0.2520 -0.2520 -0.1039 -0.1039 0.4214 0.4214 0.5694 0.5694 0.9221 0.9221 1.2664 1.2664 1.4909 1.4909 1.8242 1.8242 2.3932 2.3932 2.9497 2.9497 3.2577 3.2577 3.3761 3.3761 3.5169 3.5169 3.5892 3.5892 4.0055 4.0055 4.1900 4.1900 4.6557 4.6557 5.0069 5.0069 5.4268 5.4268 5.5590 5.5590 9.9393 9.9393 11.8963 11.8963 13.4225 13.4225 14.1196 14.1196 14.2214 14.2214 14.7703 14.7703 k = 0.0000 0.0000 0.0176 ( 4555 PWs) bands (ev): -15.0993 -15.0993 -13.3513 -13.3513 -13.1376 -13.1376 -13.0422 -13.0422 -12.6404 -12.6402 -12.3950 -12.3950 -12.1551 -12.1551 -12.1505 -12.1504 -3.4414 -3.4414 -2.6970 -2.6969 -2.4573 -2.4570 -0.7984 -0.7982 -0.2522 -0.2522 -0.1039 -0.1039 0.4218 0.4224 0.5699 0.5700 0.9210 0.9210 1.2660 1.2661 1.4917 1.4918 1.8243 1.8245 2.3924 2.3924 2.9498 2.9500 3.2564 3.2572 3.3652 3.3675 3.5257 3.5292 3.5886 3.5895 4.0053 4.0056 4.1884 4.1885 4.6544 4.6545 5.0074 5.0076 5.4261 5.4262 5.5595 5.5601 9.9428 9.9428 11.8969 11.8975 13.4218 13.4223 14.1195 14.1195 14.2214 14.2214 14.7707 14.7708 k = 0.0000 0.0000 0.0352 ( 4549 PWs) bands (ev): -15.0973 -15.0973 -13.3574 -13.3572 -13.1372 -13.1372 -13.0423 -13.0423 -12.6382 -12.6379 -12.3930 -12.3930 -12.1557 -12.1556 -12.1510 -12.1509 -3.4447 -3.4446 -2.6936 -2.6935 -2.4543 -2.4537 -0.7982 -0.7978 -0.2528 -0.2528 -0.1040 -0.1040 0.4235 0.4246 0.5716 0.5718 0.9177 0.9177 1.2651 1.2652 1.4942 1.4944 1.8249 1.8253 2.3902 2.3903 2.9503 2.9508 3.2516 3.2536 3.3433 3.3460 3.5500 3.5554 3.5877 3.5893 4.0050 4.0056 4.1839 4.1840 4.6508 4.6509 5.0088 5.0092 5.4240 5.4241 5.5617 5.5628 9.9531 9.9532 11.8994 11.9006 13.4205 13.4214 14.1191 14.1191 14.2212 14.2212 14.7720 14.7722 k = 0.0000 0.0000 0.0527 ( 4555 PWs) bands (ev): -15.0941 -15.0940 -13.3674 -13.3671 -13.1365 -13.1365 -13.0424 -13.0423 -12.6347 -12.6343 -12.3897 -12.3897 -12.1565 -12.1564 -12.1518 -12.1517 -3.4501 -3.4499 -2.6880 -2.6878 -2.4494 -2.4485 -0.7978 -0.7972 -0.2538 -0.2538 -0.1042 -0.1042 0.4265 0.4281 0.5745 0.5747 0.9123 0.9123 1.2635 1.2636 1.4983 1.4986 1.8259 1.8265 2.3866 2.3867 2.9513 2.9520 3.2391 3.2431 3.3230 3.3243 3.5808 3.5840 3.5891 3.5897 4.0046 4.0054 4.1764 4.1766 4.6449 4.6451 5.0110 5.0116 5.4206 5.4207 5.5656 5.5672 9.9702 9.9703 11.9038 11.9055 13.4184 13.4198 14.1184 14.1185 14.2206 14.2206 14.7741 14.7744 k = 0.0000 0.0000 0.0703 ( 4556 PWs) bands (ev): -15.0895 -15.0895 -13.3811 -13.3807 -13.1355 -13.1355 -13.0424 -13.0423 -12.6302 -12.6297 -12.3851 -12.3851 -12.1577 -12.1576 -12.1529 -12.1527 -3.4574 -3.4572 -2.6802 -2.6800 -2.4425 -2.4414 -0.7972 -0.7964 -0.2553 -0.2552 -0.1045 -0.1045 0.4305 0.4327 0.5785 0.5788 0.9051 0.9051 1.2613 1.2616 1.5041 1.5045 1.8273 1.8281 2.3817 2.3818 2.9527 2.9536 3.2146 3.2203 3.3120 3.3123 3.5836 3.5871 3.6154 3.6223 4.0040 4.0051 4.1662 4.1664 4.6372 4.6374 5.0137 5.0145 5.4160 5.4163 5.5711 5.5733 9.9939 9.9941 11.9099 11.9122 13.4157 13.4175 14.1174 14.1176 14.2192 14.2192 14.7769 14.7773 k = 0.0000 0.0000 0.0879 ( 4558 PWs) bands (ev): -15.0837 -15.0836 -13.3983 -13.3979 -13.1343 -13.1343 -13.0421 -13.0419 -12.6251 -12.6244 -12.3792 -12.3792 -12.1592 -12.1591 -12.1542 -12.1540 -3.4665 -3.4663 -2.6703 -2.6701 -2.4337 -2.4323 -0.7965 -0.7955 -0.2572 -0.2571 -0.1049 -0.1049 0.4354 0.4382 0.5838 0.5841 0.8964 0.8964 1.2587 1.2590 1.5115 1.5120 1.8290 1.8300 2.3755 2.3755 2.9543 2.9555 3.1802 3.1867 3.3095 3.3105 3.5808 3.5851 3.6497 3.6568 4.0031 4.0045 4.1534 4.1536 4.6279 4.6281 5.0165 5.0176 5.4106 5.4109 5.5783 5.5810 10.0241 10.0242 11.9179 11.9206 13.4124 13.4147 14.1163 14.1164 14.2166 14.2166 14.7801 14.7804 k = 0.0000 0.0000 0.1055 ( 4563 PWs) bands (ev): -15.0765 -15.0765 -13.4187 -13.4183 -13.1328 -13.1328 -13.0414 -13.0412 -12.6195 -12.6188 -12.3723 -12.3721 -12.1610 -12.1609 -12.1556 -12.1554 -3.4773 -3.4770 -2.6584 -2.6581 -2.4232 -2.4216 -0.7956 -0.7945 -0.2596 -0.2595 -0.1054 -0.1054 0.4409 0.4442 0.5902 0.5906 0.8868 0.8868 1.2557 1.2560 1.5204 1.5210 1.8310 1.8321 2.3680 2.3681 2.9562 2.9576 3.1405 3.1471 3.3126 3.3140 3.5768 3.5819 3.6837 3.6910 4.0018 4.0035 4.1384 4.1386 4.6175 4.6176 5.0193 5.0206 5.4045 5.4048 5.5873 5.5904 10.0603 10.0605 11.9275 11.9308 13.4088 13.4113 14.1148 14.1150 14.2121 14.2121 14.7824 14.7826 k = 0.0000 0.0000 0.1230 ( 4562 PWs) bands (ev): -15.0681 -15.0680 -13.4421 -13.4416 -13.1311 -13.1311 -13.0402 -13.0400 -12.6140 -12.6132 -12.3643 -12.3641 -12.1631 -12.1630 -12.1571 -12.1569 -3.4896 -3.4893 -2.6445 -2.6443 -2.4110 -2.4092 -0.7947 -0.7935 -0.2624 -0.2623 -0.1061 -0.1061 0.4464 0.4503 0.5979 0.5983 0.8768 0.8769 1.2524 1.2527 1.5308 1.5315 1.8331 1.8344 2.3595 2.3597 2.9583 2.9599 3.0980 3.1045 3.3190 3.3205 3.5716 3.5774 3.7170 3.7244 3.9997 4.0017 4.1218 4.1220 4.6063 4.6064 5.0216 5.0230 5.3979 5.3983 5.5979 5.6015 10.1023 10.1026 11.9388 11.9426 13.4048 13.4076 14.1131 14.1133 14.2050 14.2050 14.7792 14.7808 k = 0.0000 0.0000 0.1406 ( 4556 PWs) bands (ev): -15.0584 -15.0584 -13.4682 -13.4676 -13.1291 -13.1291 -13.0386 -13.0384 -12.6086 -12.6078 -12.3556 -12.3552 -12.1654 -12.1653 -12.1586 -12.1583 -3.5032 -3.5028 -2.6288 -2.6287 -2.3973 -2.3954 -0.7938 -0.7925 -0.2658 -0.2655 -0.1069 -0.1069 0.4514 0.4559 0.6067 0.6073 0.8672 0.8674 1.2489 1.2492 1.5425 1.5433 1.8354 1.8368 2.3501 2.3502 2.9604 2.9622 3.0540 3.0603 3.3273 3.3289 3.5647 3.5713 3.7492 3.7567 3.9964 3.9986 4.1043 4.1045 4.5947 4.5947 5.0231 5.0248 5.3912 5.3917 5.6102 5.6141 10.1497 10.1501 11.9517 11.9560 13.4006 13.4037 14.1112 14.1115 14.1945 14.1946 14.7649 14.7684 k = 0.0000 0.0000 0.1582 ( 4568 PWs) bands (ev): -15.0475 -15.0474 -13.4966 -13.4960 -13.1269 -13.1269 -13.0365 -13.0362 -12.6036 -12.6028 -12.3463 -12.3458 -12.1681 -12.1680 -12.1597 -12.1594 -3.5178 -3.5174 -2.6114 -2.6114 -2.3822 -2.3802 -0.7931 -0.7917 -0.2695 -0.2691 -0.1080 -0.1080 0.4552 0.4602 0.6168 0.6174 0.8591 0.8593 1.2452 1.2456 1.5555 1.5564 1.8377 1.8393 2.3398 2.3400 2.9624 2.9644 3.0091 3.0151 3.3370 3.3388 3.5559 3.5632 3.7802 3.7876 3.9910 3.9933 4.0872 4.0874 4.5830 4.5832 5.0237 5.0255 5.3846 5.3852 5.6241 5.6283 10.2021 10.2026 11.9661 11.9709 13.3962 13.3995 14.1091 14.1093 14.1801 14.1802 14.7434 14.7476 k = 0.0000 0.0000 0.1758 ( 4560 PWs) bands (ev): -15.0353 -15.0352 -13.5270 -13.5264 -13.1245 -13.1245 -13.0339 -13.0335 -12.5990 -12.5983 -12.3370 -12.3363 -12.1709 -12.1709 -12.1604 -12.1600 -3.5333 -3.5329 -2.5925 -2.5924 -2.3659 -2.3638 -0.7926 -0.7911 -0.2734 -0.2730 -0.1093 -0.1093 0.4567 0.4623 0.6280 0.6288 0.8534 0.8536 1.2414 1.2419 1.5697 1.5708 1.8400 1.8418 2.3288 2.3291 2.9613 2.9640 2.9686 2.9694 3.3479 3.3497 3.5448 3.5527 3.8098 3.8172 3.9823 3.9847 4.0721 4.0723 4.5716 4.5719 5.0231 5.0251 5.3784 5.3790 5.6396 5.6440 10.2591 10.2597 11.9820 11.9872 13.3918 13.3952 14.1068 14.1070 14.1612 14.1614 14.7210 14.7255 k = 0.0000 0.0000 0.1933 ( 4556 PWs) bands (ev): -15.0218 -15.0218 -13.5591 -13.5585 -13.1219 -13.1219 -13.0308 -13.0304 -12.5950 -12.5943 -12.3279 -12.3270 -12.1741 -12.1740 -12.1604 -12.1599 -3.5494 -3.5491 -2.5723 -2.5721 -2.3485 -2.3463 -0.7924 -0.7909 -0.2776 -0.2771 -0.1108 -0.1108 0.4551 0.4611 0.6405 0.6413 0.8513 0.8515 1.2377 1.2382 1.5850 1.5862 1.8423 1.8443 2.3173 2.3176 2.9170 2.9229 2.9657 2.9686 3.3595 3.3614 3.5310 3.5395 3.8378 3.8452 3.9694 3.9717 4.0606 4.0609 4.5607 4.5611 5.0213 5.0234 5.3726 5.3733 5.6564 5.6610 10.3203 10.3210 11.9991 12.0048 13.3875 13.3909 14.1043 14.1045 14.1377 14.1380 14.7005 14.7050 k = 0.0000 0.0000 0.2109 ( 4560 PWs) bands (ev): -15.0072 -15.0071 -13.5928 -13.5922 -13.1192 -13.1192 -13.0272 -13.0268 -12.5915 -12.5908 -12.3195 -12.3184 -12.1774 -12.1774 -12.1593 -12.1587 -3.5661 -3.5657 -2.5507 -2.5504 -2.3301 -2.3279 -0.7928 -0.7913 -0.2818 -0.2811 -0.1125 -0.1125 0.4497 0.4560 0.6542 0.6550 0.8537 0.8537 1.2341 1.2346 1.6012 1.6026 1.8446 1.8466 2.3054 2.3058 2.8709 2.8764 2.9666 2.9696 3.3717 3.3737 3.5142 3.5232 3.8643 3.8716 3.9524 3.9545 4.0530 4.0536 4.5507 4.5513 5.0183 5.0204 5.3675 5.3683 5.6744 5.6791 10.3851 10.3859 12.0176 12.0236 13.3832 13.3866 14.1008 14.1010 14.1102 14.1109 14.6829 14.6872 k = 0.0000 0.0000 0.2285 ( 4560 PWs) bands (ev): -14.9914 -14.9913 -13.6278 -13.6272 -13.1163 -13.1163 -13.0233 -13.0229 -12.5885 -12.5879 -12.3123 -12.3109 -12.1810 -12.1809 -12.1571 -12.1563 -3.5831 -3.5827 -2.5281 -2.5276 -2.3109 -2.3086 -0.7939 -0.7923 -0.2857 -0.2849 -0.1145 -0.1145 0.4399 0.4465 0.6689 0.6699 0.8608 0.8610 1.2307 1.2312 1.6184 1.6199 1.8467 1.8489 2.2933 2.2937 2.8246 2.8298 2.9668 2.9701 3.3843 3.3863 3.4940 3.5034 3.8891 3.8964 3.9328 3.9344 4.0487 4.0496 4.5417 4.5425 5.0139 5.0161 5.3633 5.3640 5.6935 5.6983 10.4530 10.4540 12.0371 12.0435 13.3791 13.3823 14.0765 14.0766 14.0996 14.1002 14.6685 14.6726 k = 0.0000 0.0000 0.2461 ( 4557 PWs) bands (ev): -14.9744 -14.9743 -13.6638 -13.6632 -13.1133 -13.1133 -13.0190 -13.0186 -12.5860 -12.5855 -12.3065 -12.3049 -12.1847 -12.1846 -12.1533 -12.1525 -3.6002 -3.5998 -2.5045 -2.5038 -2.2910 -2.2887 -0.7958 -0.7943 -0.2893 -0.2883 -0.1167 -0.1167 0.4258 0.4324 0.6848 0.6858 0.8729 0.8734 1.2275 1.2280 1.6363 1.6381 1.8489 1.8511 2.2811 2.2815 2.7783 2.7833 2.9661 2.9697 3.3970 3.3991 3.4702 3.4799 3.9072 3.9123 3.9172 3.9203 4.0467 4.0478 4.5340 4.5349 5.0082 5.0104 5.3599 5.3607 5.7135 5.7183 10.5237 10.5248 12.0577 12.0644 13.3752 13.3782 14.0408 14.0412 14.0966 14.0970 14.6571 14.6610 k = 0.0000 0.0000 0.2636 ( 4557 PWs) bands (ev): -14.9562 -14.9561 -13.7007 -13.7002 -13.1102 -13.1102 -13.0145 -13.0140 -12.5840 -12.5835 -12.3025 -12.3007 -12.1885 -12.1884 -12.1480 -12.1470 -3.6173 -3.6169 -2.4800 -2.4792 -2.2705 -2.2683 -0.7987 -0.7972 -0.2921 -0.2910 -0.1191 -0.1191 0.4075 0.4143 0.7016 0.7027 0.8897 0.8907 1.2244 1.2250 1.6549 1.6569 1.8509 1.8533 2.2689 2.2694 2.7322 2.7368 2.9644 2.9683 3.4096 3.4116 3.4430 3.4527 3.8896 3.8914 3.9357 3.9417 4.0463 4.0475 4.5276 4.5286 5.0012 5.0035 5.3573 5.3582 5.7342 5.7389 10.5964 10.5978 12.0792 12.0862 13.3715 13.3742 14.0024 14.0030 14.0937 14.0941 14.6485 14.6519 k = 0.0000 0.0000 0.2812 ( 4558 PWs) bands (ev): -14.9369 -14.9368 -13.7384 -13.7378 -13.1070 -13.1070 -13.0096 -13.0092 -12.5823 -12.5819 -12.3002 -12.2983 -12.1924 -12.1923 -12.1411 -12.1402 -3.6342 -3.6339 -2.4550 -2.4540 -2.2496 -2.2474 -0.8028 -0.8014 -0.2941 -0.2929 -0.1217 -0.1217 0.3858 0.3925 0.7194 0.7205 0.9107 0.9120 1.2217 1.2222 1.6742 1.6764 1.8530 1.8555 2.2569 2.2575 2.6863 2.6906 2.9615 2.9657 3.4106 3.4216 3.4222 3.4253 3.8698 3.8710 3.9562 3.9620 4.0468 4.0481 4.5227 4.5239 4.9930 4.9953 5.3557 5.3566 5.7553 5.7599 10.6708 10.6723 12.1016 12.1087 13.3680 13.3703 13.9622 13.9629 14.0908 14.0912 14.6421 14.6451 k = 0.0000 0.0000 0.2988 ( 4558 PWs) bands (ev): -14.9166 -14.9165 -13.7766 -13.7760 -13.1038 -13.1038 -13.0046 -13.0041 -12.5809 -12.5806 -12.2996 -12.2977 -12.1964 -12.1963 -12.1330 -12.1320 -3.6509 -3.6506 -2.4294 -2.4284 -2.2284 -2.2263 -0.8082 -0.8069 -0.2950 -0.2935 -0.1244 -0.1244 0.3612 0.3678 0.7380 0.7392 0.9351 0.9369 1.2192 1.2197 1.6940 1.6964 1.8551 1.8577 2.2452 2.2458 2.6407 2.6448 2.9572 2.9617 3.3769 3.3875 3.4339 3.4366 3.8512 3.8520 3.9754 3.9810 4.0480 4.0494 4.5194 4.5206 4.9837 4.9860 5.3549 5.3559 5.7766 5.7811 10.7462 10.7479 12.1247 12.1319 13.3649 13.3666 13.9210 13.9217 14.0879 14.0883 14.6376 14.6400 k = 0.0000 0.0000 0.3164 ( 4551 PWs) bands (ev): -14.8952 -14.8950 -13.8152 -13.8147 -13.1006 -13.1006 -12.9995 -12.9990 -12.5798 -12.5795 -12.3004 -12.2984 -12.2003 -12.2002 -12.1239 -12.1229 -3.6671 -3.6668 -2.4037 -2.4025 -2.2071 -2.2051 -0.8150 -0.8137 -0.2945 -0.2929 -0.1273 -0.1273 0.3344 0.3409 0.7573 0.7585 0.9623 0.9644 1.2170 1.2175 1.7143 1.7170 1.8573 1.8600 2.2339 2.2345 2.5956 2.5993 2.9513 2.9561 3.3398 3.3503 3.4452 3.4479 3.8344 3.8349 3.9936 3.9987 4.0497 4.0511 4.5175 4.5189 4.9734 4.9756 5.3549 5.3558 5.7980 5.8023 10.8221 10.8240 12.1484 12.1557 13.3620 13.3632 13.8796 13.8804 14.0851 14.0855 14.6343 14.6361 k = 0.0000 0.0000 0.3339 ( 4549 PWs) bands (ev): -14.8727 -14.8726 -13.8541 -13.8536 -13.0974 -13.0974 -12.9943 -12.9938 -12.5790 -12.5787 -12.3023 -12.3004 -12.2043 -12.2042 -12.1141 -12.1132 -3.6828 -3.6825 -2.3779 -2.3766 -2.1858 -2.1839 -0.8230 -0.8219 -0.2926 -0.2908 -0.1303 -0.1303 0.3059 0.3123 0.7771 0.7784 0.9914 0.9939 1.2150 1.2156 1.7351 1.7381 1.8598 1.8626 2.2230 2.2237 2.5511 2.5545 2.9437 2.9487 3.3005 3.3110 3.4557 3.4584 3.8195 3.8196 4.0107 4.0154 4.0518 4.0532 4.5172 4.5186 4.9622 4.9643 5.3555 5.3565 5.8192 5.8233 10.8978 10.8998 12.1727 12.1800 13.3596 13.3601 13.8385 13.8394 14.0823 14.0827 14.6316 14.6325 k = 0.0000 0.0000 0.3515 ( 4551 PWs) bands (ev): -14.8494 -14.8492 -13.8931 -13.8926 -13.0942 -13.0942 -12.9890 -12.9885 -12.5783 -12.5781 -12.3052 -12.3033 -12.2081 -12.2081 -12.1040 -12.1031 -3.6978 -3.6976 -2.3523 -2.3509 -2.1647 -2.1629 -0.8325 -0.8314 -0.2891 -0.2871 -0.1334 -0.1333 0.2763 0.2826 0.7973 0.7986 1.0219 1.0248 1.2133 1.2138 1.7564 1.7596 1.8626 1.8654 2.2126 2.2133 2.5072 2.5102 2.9341 2.9394 3.2599 3.2703 3.4654 3.4680 3.8063 3.8065 4.0268 4.0310 4.0540 4.0556 4.5182 4.5196 4.9501 4.9522 5.3568 5.3577 5.8399 5.8438 10.9726 10.9748 12.1974 12.2046 13.3574 13.3576 13.7983 13.7992 14.0797 14.0800 14.6285 14.6287 k = 0.0000 0.0000 0.3691 ( 4551 PWs) bands (ev): -14.8251 -14.8249 -13.9321 -13.9316 -13.0911 -13.0911 -12.9838 -12.9833 -12.5778 -12.5776 -12.3087 -12.3069 -12.2119 -12.2118 -12.0938 -12.0930 -3.7121 -3.7119 -2.3271 -2.3256 -2.1439 -2.1423 -0.8430 -0.8421 -0.2840 -0.2818 -0.1364 -0.1364 0.2460 0.2522 0.8177 0.8190 1.0531 1.0563 1.2118 1.2123 1.7782 1.7817 1.8659 1.8687 2.2027 2.2034 2.4641 2.4668 2.9224 2.9278 3.2189 3.2291 3.4741 3.4767 3.7948 3.7953 4.0419 4.0453 4.0566 4.0584 4.5204 4.5219 4.9374 4.9395 5.3585 5.3594 5.8600 5.8637 11.0459 11.0482 12.2224 12.2294 13.3551 13.3562 13.7595 13.7604 14.0771 14.0774 14.6229 14.6244 k = 0.0000 0.0000 0.3867 ( 4539 PWs) bands (ev): -14.8000 -14.7998 -13.9710 -13.9705 -13.0882 -13.0882 -12.9787 -12.9782 -12.5774 -12.5772 -12.3127 -12.3109 -12.2155 -12.2155 -12.0839 -12.0832 -3.7256 -3.7254 -2.3026 -2.3010 -2.1237 -2.1222 -0.8546 -0.8538 -0.2772 -0.2748 -0.1394 -0.1394 0.2154 0.2214 0.8380 0.8394 1.0844 1.0878 1.2104 1.2109 1.8005 1.8042 1.8698 1.8726 2.1934 2.1940 2.4220 2.4243 2.9082 2.9137 3.1786 3.1886 3.4817 3.4843 3.7851 3.7857 4.0550 4.0563 4.0605 4.0639 4.5239 4.5253 4.9242 4.9262 5.3605 5.3614 5.8794 5.8828 11.1170 11.1194 12.2477 12.2543 13.3536 13.3555 13.7224 13.7233 14.0747 14.0749 14.6139 14.6171 k = 0.0000 0.0000 0.4042 ( 4543 PWs) bands (ev): -14.7741 -14.7740 -14.0096 -14.0091 -13.0853 -13.0853 -12.9737 -12.9733 -12.5771 -12.5770 -12.3168 -12.3152 -12.2190 -12.2189 -12.0743 -12.0737 -3.7382 -3.7380 -2.2790 -2.2774 -2.1042 -2.1028 -0.8669 -0.8662 -0.2689 -0.2663 -0.1423 -0.1423 0.1847 0.1906 0.8582 0.8594 1.1153 1.1189 1.2092 1.2097 1.8233 1.8271 1.8744 1.8772 2.1844 2.1850 2.3810 2.3830 2.8914 2.8968 3.1402 3.1499 3.4884 3.4909 3.7769 3.7776 4.0601 4.0607 4.0716 4.0752 4.5283 4.5297 4.9106 4.9125 5.3628 5.3637 5.8977 5.9008 11.1850 11.1875 12.2730 12.2792 13.3529 13.3557 13.6873 13.6880 14.0724 14.0726 14.5998 14.6048 k = 0.0000 0.0000 0.4218 ( 4544 PWs) bands (ev): -14.7477 -14.7475 -14.0477 -14.0473 -13.0826 -13.0826 -12.9690 -12.9686 -12.5768 -12.5768 -12.3211 -12.3196 -12.2223 -12.2222 -12.0653 -12.0647 -3.7498 -3.7496 -2.2565 -2.2549 -2.0855 -2.0844 -0.8796 -0.8790 -0.2590 -0.2563 -0.1452 -0.1451 0.1542 0.1600 0.8778 0.8790 1.1452 1.1488 1.2082 1.2086 1.8466 1.8505 1.8799 1.8825 2.1758 2.1764 2.3412 2.3429 2.8718 2.8768 3.1049 3.1139 3.4941 3.4964 3.7701 3.7709 4.0627 4.0633 4.0844 4.0875 4.5335 4.5348 4.8969 4.8987 5.3653 5.3660 5.9149 5.9177 11.2493 11.2518 12.2982 12.3039 13.3532 13.3569 13.6543 13.6549 14.0703 14.0706 14.5790 14.5858 k = 0.0000 0.0000 0.4394 ( 4545 PWs) bands (ev): -14.7208 -14.7206 -14.0852 -14.0848 -13.0802 -13.0802 -12.9646 -12.9642 -12.5767 -12.5766 -12.3252 -12.3239 -12.2253 -12.2252 -12.0570 -12.0565 -3.7603 -3.7601 -2.2354 -2.2339 -2.0681 -2.0670 -0.8924 -0.8919 -0.2477 -0.2448 -0.1478 -0.1478 0.1243 0.1298 0.8966 0.8978 1.1735 1.1771 1.2072 1.2076 1.8703 1.8738 1.8868 1.8888 2.1675 2.1680 2.3030 2.3043 2.8495 2.8538 3.0736 3.0817 3.4988 3.5010 3.7646 3.7654 4.0649 4.0656 4.0966 4.0993 4.5393 4.5406 4.8832 4.8849 5.3677 5.3684 5.9307 5.9332 11.3091 11.3115 12.3230 12.3281 13.3546 13.3591 13.6236 13.6240 14.0684 14.0686 14.5512 14.5594 k = 0.0000 0.0000 0.4570 ( 4560 PWs) bands (ev): -14.6936 -14.6934 -14.1218 -14.1214 -13.0779 -13.0779 -12.9605 -12.9601 -12.5765 -12.5765 -12.3292 -12.3279 -12.2280 -12.2280 -12.0494 -12.0490 -3.7697 -3.7696 -2.2160 -2.2146 -2.0519 -2.0511 -0.9050 -0.9046 -0.2351 -0.2320 -0.1502 -0.1502 0.0950 0.1004 0.9143 0.9154 1.1989 1.2015 1.2077 1.2082 1.8915 1.8938 1.8966 1.9005 2.1593 2.1596 2.2665 2.2674 2.8248 2.8284 3.0468 3.0539 3.5027 3.5047 3.7601 3.7609 4.0669 4.0675 4.1080 4.1102 4.5455 4.5467 4.8699 4.8714 5.3701 5.3707 5.9450 5.9473 11.3635 11.3658 12.3471 12.3515 13.3573 13.3625 13.5954 13.5956 14.0668 14.0669 14.5179 14.5268 k = 0.0000 0.0000 0.4745 ( 4562 PWs) bands (ev): -14.6665 -14.6663 -14.1571 -14.1568 -13.0759 -13.0759 -12.9568 -12.9565 -12.5764 -12.5764 -12.3328 -12.3317 -12.2305 -12.2304 -12.0427 -12.0423 -3.7780 -3.7779 -2.1986 -2.1973 -2.0373 -2.0366 -0.9168 -0.9165 -0.2212 -0.2181 -0.1524 -0.1524 0.0667 0.0719 0.9306 0.9316 1.2044 1.2047 1.2248 1.2280 1.9010 1.9041 1.9188 1.9237 2.1510 2.1511 2.2320 2.2326 2.7989 2.8015 3.0247 3.0305 3.5059 3.5076 3.7566 3.7574 4.0687 4.0693 4.1183 4.1201 4.5519 4.5530 4.8571 4.8584 5.3724 5.3729 5.9578 5.9597 11.4121 11.4142 12.3700 12.3737 13.3613 13.3671 13.5696 13.5697 14.0653 14.0654 14.4815 14.4905 k = 0.0000 0.0000 0.4921 ( 4568 PWs) bands (ev): -14.6398 -14.6397 -14.1907 -14.1904 -13.0742 -13.0742 -12.9536 -12.9533 -12.5764 -12.5764 -12.3361 -12.3351 -12.2326 -12.2326 -12.0370 -12.0367 -3.7851 -3.7849 -2.1833 -2.1821 -2.0245 -2.0239 -0.9276 -0.9274 -0.2065 -0.2032 -0.1543 -0.1543 0.0396 0.0445 0.9452 0.9461 1.2037 1.2039 1.2456 1.2486 1.9106 1.9133 1.9428 1.9474 2.1424 2.1424 2.2000 2.2003 2.7729 2.7747 3.0069 3.0116 3.5084 3.5099 3.7539 3.7546 4.0703 4.0708 4.1273 4.1289 4.5582 4.5592 4.8452 4.8464 5.3744 5.3749 5.9688 5.9704 11.4542 11.4560 12.3911 12.3941 13.3666 13.3727 13.5462 13.5467 14.0640 14.0642 14.4449 14.4534 k = 0.0000 0.0000 0.5097 ( 4566 PWs) bands (ev): -14.6144 -14.6142 -14.2219 -14.2216 -13.0727 -13.0727 -12.9509 -12.9507 -12.5763 -12.5763 -12.3388 -12.3380 -12.2344 -12.2343 -12.0322 -12.0319 -3.7909 -3.7908 -2.1704 -2.1695 -2.0137 -2.0132 -0.9371 -0.9369 -0.1910 -0.1876 -0.1559 -0.1559 0.0140 0.0187 0.9578 0.9585 1.2029 1.2031 1.2635 1.2660 1.9207 1.9232 1.9662 1.9704 2.1331 2.1335 2.1709 2.1710 2.7486 2.7496 2.9930 2.9966 3.5103 3.5115 3.7519 3.7525 4.0717 4.0720 4.1351 4.1363 4.5641 4.5650 4.8347 4.8357 5.3762 5.3765 5.9780 5.9793 11.4892 11.4907 12.4098 12.4122 13.3730 13.3790 13.5257 13.5265 14.0630 14.0631 14.4109 14.4184 k = 0.0000 0.0000 0.5273 ( 4565 PWs) bands (ev): -14.5913 -14.5911 -14.2495 -14.2493 -13.0716 -13.0716 -12.9487 -12.9485 -12.5763 -12.5763 -12.3410 -12.3404 -12.2357 -12.2357 -12.0284 -12.0282 -3.7954 -3.7954 -2.1602 -2.1594 -2.0050 -2.0047 -0.9448 -0.9446 -0.1753 -0.1720 -0.1572 -0.1571 -0.0094 -0.0052 0.9680 0.9685 1.2021 1.2023 1.2777 1.2797 1.9311 1.9331 1.9881 1.9918 2.1234 2.1241 2.1455 2.1459 2.7275 2.7281 2.9827 2.9853 3.5117 3.5126 3.7505 3.7509 4.0727 4.0730 4.1413 4.1422 4.5693 4.5700 4.8259 4.8267 5.3776 5.3779 5.9852 5.9862 11.5168 11.5180 12.4255 12.4271 13.3801 13.3856 13.5083 13.5094 14.0622 14.0623 14.3820 14.3880 k = 0.0000 0.0000 0.5448 ( 4563 PWs) bands (ev): -14.5720 -14.5719 -14.2720 -14.2718 -13.0707 -13.0707 -12.9471 -12.9470 -12.5763 -12.5763 -12.3425 -12.3422 -12.2367 -12.2367 -12.0257 -12.0256 -3.7987 -3.7987 -2.1527 -2.1521 -1.9987 -1.9985 -0.9505 -0.9504 -0.1610 -0.1587 -0.1572 -0.1568 -0.0296 -0.0261 0.9755 0.9759 1.2015 1.2016 1.2883 1.2896 1.9406 1.9422 2.0074 2.0103 2.1137 2.1147 2.1252 2.1258 2.7111 2.7114 2.9756 2.9773 3.5127 3.5133 3.7495 3.7499 4.0735 4.0737 4.1459 4.1465 4.5734 4.5739 4.8193 4.8198 5.3787 5.3789 5.9905 5.9912 11.5368 11.5376 12.4373 12.4384 13.3871 13.3915 13.4946 13.4958 14.0617 14.0617 14.3601 14.3643 k = 0.0000 0.0000 0.5624 ( 4556 PWs) bands (ev): -14.5588 -14.5588 -14.2870 -14.2869 -13.0702 -13.0702 -12.9462 -12.9461 -12.5763 -12.5762 -12.3435 -12.3433 -12.2374 -12.2373 -12.0240 -12.0240 -3.8007 -3.8007 -2.1481 -2.1478 -1.9948 -1.9947 -0.9540 -0.9539 -0.1589 -0.1588 -0.1476 -0.1459 -0.0441 -0.0420 0.9802 0.9804 1.2011 1.2012 1.2948 1.2955 1.9478 1.9487 2.0219 2.0236 2.1056 2.1066 2.1118 2.1124 2.7008 2.7009 2.9716 2.9724 3.5134 3.5137 3.7490 3.7492 4.0740 4.0741 4.1488 4.1491 4.5761 4.5764 4.8152 4.8154 5.3794 5.3794 5.9938 5.9941 11.5489 11.5494 12.4448 12.4453 13.3929 13.3954 13.4857 13.4866 14.0613 14.0614 14.3468 14.3490 k = 0.0000 0.0000 0.5800 ( 4560 PWs) bands (ev): -14.5541 -14.5541 -14.2923 -14.2923 -13.0701 -13.0701 -12.9458 -12.9458 -12.5762 -12.5762 -12.3437 -12.3437 -12.2376 -12.2376 -12.0234 -12.0234 -3.8013 -3.8013 -2.1464 -2.1464 -1.9935 -1.9935 -0.9551 -0.9551 -0.1590 -0.1590 -0.1421 -0.1421 -0.0490 -0.0490 0.9818 0.9818 1.2010 1.2010 1.2972 1.2972 1.9508 1.9508 2.0282 2.0282 2.1027 2.1027 2.1074 2.1074 2.6973 2.6973 2.9705 2.9705 3.5137 3.5137 3.7489 3.7489 4.0742 4.0742 4.1498 4.1498 4.5771 4.5771 4.8138 4.8138 5.3796 5.3796 5.9950 5.9950 11.5531 11.5531 12.4475 12.4475 13.3960 13.3960 13.4829 13.4829 14.0612 14.0612 14.3430 14.3430 k = 0.0000 0.0000 0.5800 ( 4560 PWs) bands (ev): -14.5541 -14.5541 -14.2923 -14.2923 -13.0701 -13.0701 -12.9458 -12.9458 -12.5762 -12.5762 -12.3437 -12.3437 -12.2376 -12.2376 -12.0234 -12.0234 -3.8013 -3.8013 -2.1464 -2.1464 -1.9935 -1.9935 -0.9551 -0.9551 -0.1590 -0.1590 -0.1421 -0.1421 -0.0490 -0.0490 0.9818 0.9818 1.2010 1.2010 1.2972 1.2972 1.9508 1.9508 2.0282 2.0282 2.1027 2.1027 2.1074 2.1074 2.6973 2.6973 2.9705 2.9705 3.5137 3.5137 3.7489 3.7489 4.0742 4.0742 4.1498 4.1498 4.5771 4.5771 4.8138 4.8138 5.3796 5.3796 5.9950 5.9950 11.5531 11.5531 12.4475 12.4475 13.3960 13.3960 13.4829 13.4829 14.0612 14.0612 14.3430 14.3430 k = 0.0000 0.0171 0.5800 ( 4558 PWs) bands (ev): -14.5540 -14.5540 -14.2918 -14.2918 -13.0701 -13.0701 -12.9457 -12.9457 -12.5772 -12.5770 -12.3436 -12.3435 -12.2375 -12.2375 -12.0239 -12.0238 -3.8012 -3.8012 -2.1482 -2.1482 -1.9924 -1.9922 -0.9545 -0.9544 -0.1593 -0.1592 -0.1416 -0.1410 -0.0480 -0.0476 0.9807 0.9809 1.2003 1.2004 1.2958 1.2959 1.9474 1.9482 2.0279 2.0284 2.1041 2.1044 2.1110 2.1116 2.6966 2.6967 2.9710 2.9721 3.5147 3.5150 3.7484 3.7486 4.0726 4.0728 4.1503 4.1504 4.5770 4.5770 4.8139 4.8139 5.3798 5.3798 5.9947 5.9948 11.5529 11.5530 12.4487 12.4488 13.3932 13.3939 13.4824 13.4828 14.0582 14.0584 14.3441 14.3448 k = 0.0000 0.0342 0.5800 ( 4557 PWs) bands (ev): -14.5538 -14.5538 -14.2902 -14.2902 -13.0701 -13.0701 -12.9452 -12.9452 -12.5798 -12.5795 -12.3431 -12.3429 -12.2373 -12.2373 -12.0252 -12.0251 -3.8008 -3.8008 -2.1536 -2.1535 -1.9890 -1.9887 -0.9527 -0.9525 -0.1601 -0.1600 -0.1398 -0.1386 -0.0447 -0.0438 0.9774 0.9778 1.1983 1.1985 1.2918 1.2920 1.9388 1.9402 2.0274 2.0284 2.1080 2.1083 2.1223 2.1231 2.6946 2.6950 2.9736 2.9756 3.5181 3.5186 3.7470 3.7475 4.0679 4.0683 4.1518 4.1520 4.5766 4.5767 4.8141 4.8141 5.3804 5.3804 5.9940 5.9943 11.5524 11.5525 12.4525 12.4527 13.3856 13.3869 13.4813 13.4820 14.0494 14.0497 14.3480 14.3493 k = 0.0000 0.0513 0.5800 ( 4563 PWs) bands (ev): -14.5535 -14.5535 -14.2875 -14.2875 -13.0702 -13.0702 -12.9445 -12.9444 -12.5841 -12.5837 -12.3423 -12.3419 -12.2371 -12.2371 -12.0274 -12.0271 -3.8002 -3.8001 -2.1622 -2.1622 -1.9836 -1.9831 -0.9496 -0.9493 -0.1613 -0.1612 -0.1364 -0.1347 -0.0391 -0.0378 0.9719 0.9725 1.1951 1.1954 1.2852 1.2855 1.9264 1.9283 2.0268 2.0283 2.1143 2.1144 2.1399 2.1405 2.6918 2.6922 2.9779 2.9809 3.5237 3.5245 3.7446 3.7454 4.0603 4.0609 4.1543 4.1546 4.5761 4.5762 4.8145 4.8145 5.3813 5.3813 5.9929 5.9934 11.5515 11.5517 12.4588 12.4591 13.3735 13.3755 13.4794 13.4804 14.0352 14.0357 14.3545 14.3564 k = 0.0000 0.0683 0.5800 ( 4560 PWs) bands (ev): -14.5531 -14.5530 -14.2838 -14.2838 -13.0703 -13.0703 -12.9435 -12.9434 -12.5899 -12.5894 -12.3413 -12.3408 -12.2367 -12.2367 -12.0303 -12.0300 -3.7992 -3.7991 -2.1740 -2.1740 -1.9762 -1.9755 -0.9452 -0.9448 -0.1631 -0.1630 -0.1315 -0.1293 -0.0313 -0.0296 0.9643 0.9651 1.1912 1.1915 1.2763 1.2767 1.9116 1.9139 2.0261 2.0280 2.1227 2.1227 2.1620 2.1624 2.6883 2.6887 2.9837 2.9876 3.5314 3.5325 3.7414 3.7424 4.0500 4.0509 4.1579 4.1583 4.5753 4.5755 4.8149 4.8150 5.3825 5.3826 5.9914 5.9921 11.5504 11.5505 12.4675 12.4680 13.3572 13.3599 13.4768 13.4780 14.0161 14.0167 14.3634 14.3658 k = 0.0000 0.0854 0.5800 ( 4564 PWs) bands (ev): -14.5526 -14.5525 -14.2789 -14.2789 -13.0705 -13.0705 -12.9422 -12.9421 -12.5972 -12.5965 -12.3400 -12.3394 -12.2362 -12.2362 -12.0341 -12.0338 -3.7980 -3.7979 -2.1885 -2.1885 -1.9671 -1.9662 -0.9398 -0.9393 -0.1654 -0.1652 -0.1250 -0.1223 -0.0215 -0.0196 0.9544 0.9554 1.1867 1.1870 1.2651 1.2656 1.8953 1.8977 2.0253 2.0275 2.1329 2.1330 2.1876 2.1877 2.6847 2.6850 2.9906 2.9952 3.5410 3.5424 3.7370 3.7383 4.0374 4.0384 4.1624 4.1629 4.5744 4.5747 4.8156 4.8156 5.3840 5.3841 5.9896 5.9904 11.5489 11.5491 12.4785 12.4791 13.3373 13.3406 13.4733 13.4746 13.9928 13.9936 14.3742 14.3769 k = 0.0000 0.1025 0.5800 ( 4556 PWs) bands (ev): -14.5520 -14.5520 -14.2730 -14.2730 -13.0707 -13.0707 -12.9406 -12.9405 -12.6058 -12.6050 -12.3387 -12.3380 -12.2356 -12.2356 -12.0387 -12.0383 -3.7964 -3.7963 -2.2057 -2.2057 -1.9564 -1.9553 -0.9332 -0.9327 -0.1681 -0.1679 -0.1167 -0.1137 -0.0098 -0.0077 0.9422 0.9434 1.1820 1.1823 1.2519 1.2525 1.8778 1.8804 2.0243 2.0269 2.1449 2.1449 2.2159 2.2160 2.6814 2.6815 2.9981 3.0033 3.5523 3.5539 3.7315 3.7331 4.0228 4.0240 4.1680 4.1686 4.5734 4.5737 4.8164 4.8165 5.3857 5.3858 5.9873 5.9882 11.5472 11.5475 12.4915 12.4922 13.3142 13.3181 13.4691 13.4704 13.9661 13.9669 14.3864 14.3893 k = 0.0000 0.1196 0.5800 ( 4551 PWs) bands (ev): -14.5515 -14.5514 -14.2660 -14.2660 -13.0709 -13.0709 -12.9388 -12.9386 -12.6155 -12.6147 -12.3373 -12.3365 -12.2349 -12.2349 -12.0442 -12.0437 -3.7946 -3.7945 -2.2252 -2.2252 -1.9443 -1.9430 -0.9257 -0.9251 -0.1712 -0.1710 -0.1068 -0.1035 0.0035 0.0058 0.9279 0.9293 1.1773 1.1775 1.2369 1.2375 1.8596 1.8622 2.0231 2.0261 2.1582 2.1583 2.2464 2.2468 2.6785 2.6787 3.0058 3.0115 3.5651 3.5669 3.7247 3.7265 4.0066 4.0079 4.1745 4.1752 4.5723 4.5726 4.8174 4.8175 5.3874 5.3875 5.9845 5.9857 11.5454 11.5457 12.5063 12.5072 13.2883 13.2929 13.4642 13.4655 13.9365 13.9374 14.3994 14.4022 k = 0.0000 0.1367 0.5800 ( 4553 PWs) bands (ev): -14.5509 -14.5509 -14.2579 -14.2579 -13.0712 -13.0712 -12.9368 -12.9366 -12.6263 -12.6254 -12.3359 -12.3350 -12.2341 -12.2341 -12.0504 -12.0498 -3.7924 -3.7923 -2.2470 -2.2469 -1.9308 -1.9293 -0.9173 -0.9167 -0.1748 -0.1745 -0.0952 -0.0917 0.0183 0.0207 0.9115 0.9131 1.1728 1.1730 1.2204 1.2210 1.8409 1.8435 2.0216 2.0250 2.1726 2.1727 2.2788 2.2795 2.6765 2.6770 3.0132 3.0195 3.5790 3.5810 3.7163 3.7184 3.9894 3.9909 4.1819 4.1827 4.5712 4.5715 4.8186 4.8187 5.3890 5.3892 5.9814 5.9827 11.5434 11.5437 12.5226 12.5236 13.2603 13.2653 13.4587 13.4599 13.9049 13.9059 14.4125 14.4151 k = 0.0000 0.1538 0.5800 ( 4549 PWs) bands (ev): -14.5505 -14.5504 -14.2486 -14.2486 -13.0715 -13.0715 -12.9345 -12.9343 -12.6380 -12.6370 -12.3345 -12.3336 -12.2332 -12.2332 -12.0573 -12.0567 -3.7898 -3.7897 -2.2706 -2.2706 -1.9161 -1.9144 -0.9081 -0.9074 -0.1787 -0.1784 -0.0819 -0.0783 0.0345 0.0368 0.8933 0.8950 1.1687 1.1687 1.2026 1.2032 1.8218 1.8244 2.0199 2.0235 2.1878 2.1880 2.3129 2.3139 2.6758 2.6767 3.0201 3.0267 3.5938 3.5960 3.7061 3.7085 3.9719 3.9735 4.1901 4.1910 4.5700 4.5704 4.8200 4.8201 5.3906 5.3908 5.9777 5.9792 11.5413 11.5417 12.5399 12.5411 13.2306 13.2361 13.4528 13.4540 13.8718 13.8728 14.4250 14.4271 k = 0.0000 0.1708 0.5800 ( 4551 PWs) bands (ev): -14.5502 -14.5501 -14.2383 -14.2383 -13.0719 -13.0719 -12.9321 -12.9319 -12.6505 -12.6494 -12.3333 -12.3324 -12.2322 -12.2322 -12.0650 -12.0644 -3.7869 -3.7868 -2.2961 -2.2960 -1.9003 -1.8984 -0.8981 -0.8974 -0.1830 -0.1827 -0.0670 -0.0633 0.0517 0.0541 0.8734 0.8752 1.1647 1.1649 1.1838 1.1844 1.8024 1.8050 2.0176 2.0216 2.2037 2.2039 2.3483 2.3496 2.6768 2.6780 3.0261 3.0330 3.6092 3.6116 3.6940 3.6966 3.9546 3.9563 4.1992 4.2002 4.5689 4.5693 4.8217 4.8218 5.3920 5.3922 5.9736 5.9752 11.5392 11.5396 12.5577 12.5590 13.1999 13.2058 13.4468 13.4478 13.8377 13.8388 14.4361 14.4375 k = 0.0000 0.1879 0.5800 ( 4543 PWs) bands (ev): -14.5500 -14.5500 -14.2268 -14.2268 -13.0723 -13.0723 -12.9295 -12.9293 -12.6636 -12.6625 -12.3322 -12.3312 -12.2312 -12.2311 -12.0735 -12.0727 -3.7836 -3.7834 -2.3232 -2.3231 -1.8836 -1.8815 -0.8874 -0.8868 -0.1875 -0.1872 -0.0506 -0.0469 0.0700 0.0723 0.8521 0.8540 1.1589 1.1604 1.1657 1.1664 1.7830 1.7855 2.0149 2.0192 2.2200 2.2201 2.3850 2.3865 2.6796 2.6811 3.0308 3.0379 3.6250 3.6275 3.6797 3.6826 3.9382 3.9399 4.2089 4.2100 4.5678 4.5683 4.8236 4.8237 5.3931 5.3933 5.9691 5.9708 11.5371 11.5375 12.5753 12.5768 13.1689 13.1751 13.4409 13.4418 13.8033 13.8044 14.4451 14.4456 k = 0.0000 0.2050 0.5800 ( 4541 PWs) bands (ev): -14.5501 -14.5500 -14.2142 -14.2142 -13.0728 -13.0728 -12.9268 -12.9265 -12.6772 -12.6761 -12.3312 -12.3302 -12.2300 -12.2300 -12.0826 -12.0818 -3.7798 -3.7796 -2.3516 -2.3515 -1.8660 -1.8637 -0.8761 -0.8755 -0.1923 -0.1920 -0.0328 -0.0290 0.0891 0.0913 0.8296 0.8316 1.1416 1.1431 1.1596 1.1601 1.7637 1.7661 2.0114 2.0160 2.2367 2.2367 2.4225 2.4243 2.6844 2.6861 3.0340 3.0413 3.6408 3.6433 3.6635 3.6664 3.9232 3.9248 4.2193 4.2204 4.5669 4.5675 4.8259 4.8260 5.3939 5.3942 5.9640 5.9659 11.5351 11.5355 12.5918 12.5936 13.1384 13.1447 13.4354 13.4362 13.7688 13.7699 14.4508 14.4513 k = 0.0000 0.2221 0.5800 ( 4543 PWs) bands (ev): -14.5505 -14.5504 -14.2005 -14.2005 -13.0733 -13.0733 -12.9240 -12.9238 -12.6912 -12.6900 -12.3304 -12.3294 -12.2287 -12.2287 -12.0924 -12.0916 -3.7755 -3.7754 -2.3813 -2.3812 -1.8478 -1.8453 -0.8643 -0.8637 -0.1973 -0.1970 -0.0136 -0.0099 0.1089 0.1110 0.8063 0.8083 1.1208 1.1221 1.1570 1.1571 1.7445 1.7468 2.0071 2.0120 2.2534 2.2536 2.4607 2.4628 2.6911 2.6931 3.0355 3.0430 3.6437 3.6474 3.6573 3.6605 3.9098 3.9114 4.2301 4.2314 4.5661 4.5667 4.8285 4.8285 5.3943 5.3946 5.9584 5.9604 11.5331 11.5336 12.6062 12.6083 13.1093 13.1157 13.4307 13.4314 13.7346 13.7358 14.4530 14.4546 k = 0.0000 0.2392 0.5800 ( 4543 PWs) bands (ev): -14.5512 -14.5511 -14.1856 -14.1856 -13.0738 -13.0738 -12.9213 -12.9210 -12.7054 -12.7041 -12.3297 -12.3287 -12.2274 -12.2274 -12.1029 -12.1020 -3.7708 -3.7706 -2.4121 -2.4120 -1.8291 -1.8264 -0.8520 -0.8515 -0.2025 -0.2021 0.0067 0.0103 0.1294 0.1313 0.7823 0.7843 1.0994 1.1007 1.1548 1.1548 1.7257 1.7279 2.0018 2.0069 2.2705 2.2709 2.4995 2.5017 2.6999 2.7019 3.0352 3.0427 3.6237 3.6276 3.6726 3.6758 3.8982 3.8998 4.2413 4.2427 4.5655 4.5662 4.8314 4.8315 5.3943 5.3946 5.9523 5.9544 11.5314 11.5318 12.6171 12.6196 13.0827 13.0891 13.4273 13.4278 13.7011 13.7023 14.4523 14.4548 k = 0.0000 0.2563 0.5800 ( 4537 PWs) bands (ev): -14.5523 -14.5522 -14.1697 -14.1697 -13.0744 -13.0744 -12.9186 -12.9184 -12.7196 -12.7184 -12.3291 -12.3281 -12.2260 -12.2259 -12.1140 -12.1130 -3.7655 -3.7653 -2.4438 -2.4437 -1.8101 -1.8073 -0.8394 -0.8389 -0.2077 -0.2074 0.0280 0.0314 0.1505 0.1522 0.7579 0.7599 1.0778 1.0791 1.1528 1.1529 1.7073 1.7094 1.9954 2.0006 2.2878 2.2885 2.5386 2.5410 2.7103 2.7123 3.0328 3.0404 3.6022 3.6062 3.6878 3.6911 3.8885 3.8899 4.2527 4.2542 4.5651 4.5658 4.8347 4.8348 5.3939 5.3942 5.9456 5.9479 11.5298 11.5302 12.6231 12.6261 13.0598 13.0661 13.4256 13.4259 13.6686 13.6698 14.4492 14.4526 k = 0.0000 0.2733 0.5800 ( 4541 PWs) bands (ev): -14.5538 -14.5537 -14.1527 -14.1526 -13.0750 -13.0750 -12.9161 -12.9159 -12.7338 -12.7325 -12.3286 -12.3276 -12.2245 -12.2244 -12.1256 -12.1247 -3.7597 -3.7595 -2.4762 -2.4761 -1.7910 -1.7880 -0.8264 -0.8260 -0.2130 -0.2127 0.0501 0.0533 0.1722 0.1737 0.7332 0.7352 1.0562 1.0575 1.1510 1.1512 1.6895 1.6915 1.9876 1.9930 2.3056 2.3065 2.5778 2.5804 2.7221 2.7240 3.0285 3.0361 3.5799 3.5840 3.7025 3.7060 3.8804 3.8817 4.2643 4.2659 4.5649 4.5656 4.8384 4.8384 5.3930 5.3933 5.9383 5.9408 11.5283 11.5288 12.6229 12.6264 13.0417 13.0477 13.4261 13.4263 13.6372 13.6384 14.4445 14.4484 k = 0.0000 0.2904 0.5800 ( 4533 PWs) bands (ev): -14.5558 -14.5557 -14.1346 -14.1345 -13.0757 -13.0757 -12.9140 -12.9138 -12.7476 -12.7463 -12.3282 -12.3271 -12.2229 -12.2229 -12.1379 -12.1369 -3.7533 -3.7531 -2.5092 -2.5091 -1.7720 -1.7689 -0.8131 -0.8128 -0.2183 -0.2180 0.0727 0.0757 0.1944 0.1956 0.7085 0.7104 1.0349 1.0361 1.1494 1.1496 1.6724 1.6742 1.9786 1.9840 2.3239 2.3250 2.6170 2.6198 2.7349 2.7365 3.0222 3.0298 3.5577 3.5618 3.7167 3.7203 3.8737 3.8750 4.2758 4.2775 4.5648 4.5656 4.8425 4.8425 5.3916 5.3920 5.9305 5.9331 11.5271 11.5276 12.6154 12.6194 13.0290 13.0347 13.4294 13.4295 13.6071 13.6083 14.4385 14.4428 k = 0.0000 0.3075 0.5800 ( 4527 PWs) bands (ev): -14.5583 -14.5583 -14.1154 -14.1154 -13.0764 -13.0764 -12.9124 -12.9122 -12.7608 -12.7595 -12.3277 -12.3267 -12.2212 -12.2212 -12.1506 -12.1496 -3.7462 -3.7460 -2.5427 -2.5425 -1.7534 -1.7501 -0.7998 -0.7995 -0.2236 -0.2233 0.0956 0.0983 0.2173 0.2181 0.6838 0.6857 1.0139 1.0152 1.1478 1.1481 1.6560 1.6577 1.9682 1.9735 2.3427 2.3442 2.6560 2.6590 2.7481 2.7494 3.0142 3.0217 3.5361 3.5403 3.7302 3.7339 3.8683 3.8694 4.2872 4.2891 4.5649 4.5657 4.8469 4.8470 5.3899 5.3903 5.9221 5.9248 11.5260 11.5265 12.6003 12.6050 13.0215 13.0268 13.4361 13.4361 13.5785 13.5797 14.4319 14.4364 k = 0.0000 0.3246 0.5800 ( 4529 PWs) bands (ev): -14.5614 -14.5614 -14.0953 -14.0952 -13.0772 -13.0772 -12.9116 -12.9114 -12.7732 -12.7718 -12.3273 -12.3263 -12.2196 -12.2195 -12.1639 -12.1629 -3.7385 -3.7384 -2.5764 -2.5763 -1.7353 -1.7318 -0.7864 -0.7862 -0.2288 -0.2285 0.1185 0.1209 0.2409 0.2414 0.6594 0.6613 0.9935 0.9947 1.1464 1.1467 1.6405 1.6420 1.9564 1.9616 2.3622 2.3638 2.6947 2.6979 2.7610 2.7618 3.0048 3.0121 3.5159 3.5199 3.7431 3.7468 3.8638 3.8647 4.2984 4.3003 4.5651 4.5659 4.8517 4.8518 5.3877 5.3881 5.9131 5.9158 11.5251 11.5255 12.5784 12.5836 13.0185 13.0234 13.4464 13.4465 13.5516 13.5527 14.4248 14.4295 k = 0.0000 0.3417 0.5800 ( 4529 PWs) bands (ev): -14.5651 -14.5651 -14.0741 -14.0740 -13.0781 -13.0781 -12.9119 -12.9117 -12.7842 -12.7829 -12.3268 -12.3258 -12.2178 -12.2178 -12.1776 -12.1766 -3.7302 -3.7300 -2.6103 -2.6102 -1.7179 -1.7143 -0.7732 -0.7731 -0.2339 -0.2335 0.1410 0.1431 0.2653 0.2654 0.6354 0.6371 0.9738 0.9751 1.1450 1.1454 1.6259 1.6273 1.9433 1.9484 2.3821 2.3840 2.7328 2.7362 2.7728 2.7731 2.9946 3.0018 3.4976 3.5014 3.7554 3.7591 3.8600 3.8608 4.3092 4.3113 4.5654 4.5662 4.8569 4.8569 5.3851 5.3856 5.9034 5.9063 11.5242 11.5245 12.5506 12.5563 13.0186 13.0231 13.4608 13.4609 13.5264 13.5275 14.4175 14.4223 k = 0.0000 0.3588 0.5800 ( 4543 PWs) bands (ev): -14.5694 -14.5694 -14.0520 -14.0519 -13.0790 -13.0790 -12.9137 -12.9135 -12.7935 -12.7922 -12.3261 -12.3252 -12.2160 -12.2160 -12.1918 -12.1907 -3.7211 -3.7210 -2.6442 -2.6441 -1.7014 -1.6978 -0.7602 -0.7602 -0.2387 -0.2384 0.1630 0.1646 0.2903 0.2906 0.6118 0.6135 0.9551 0.9562 1.1436 1.1440 1.6122 1.6135 1.9291 1.9339 2.4025 2.4045 2.7701 2.7739 2.7825 2.7825 2.9844 2.9913 3.4816 3.4852 3.7670 3.7708 3.8568 3.8575 4.3196 4.3219 4.5657 4.5665 4.8623 4.8623 5.3822 5.3827 5.8931 5.8961 11.5232 11.5235 12.5182 12.5243 13.0205 13.0247 13.4793 13.4794 13.5031 13.5042 14.4101 14.4149 k = 0.0000 0.3758 0.5800 ( 4544 PWs) bands (ev): -14.5744 -14.5744 -14.0290 -14.0289 -13.0799 -13.0799 -12.9174 -12.9173 -12.8007 -12.7994 -12.3254 -12.3244 -12.2142 -12.2141 -12.2063 -12.2052 -3.7114 -3.7113 -2.6781 -2.6779 -1.6861 -1.6824 -0.7478 -0.7477 -0.2433 -0.2430 0.1839 0.1852 0.3163 0.3170 0.5888 0.5904 0.9373 0.9385 1.1422 1.1427 1.5995 1.6006 1.9138 1.9183 2.4230 2.4251 2.7876 2.7887 2.8078 2.8111 2.9753 2.9818 3.4685 3.4717 3.7780 3.7818 3.8540 3.8546 4.3295 4.3319 4.5660 4.5668 4.8679 4.8679 5.3790 5.3795 5.8822 5.8852 11.5221 11.5223 12.4825 12.4890 13.0233 13.0271 13.4812 13.4824 13.5023 13.5024 14.4028 14.4075 k = 0.0000 0.3929 0.5800 ( 4550 PWs) bands (ev): -14.5801 -14.5800 -14.0051 -14.0050 -13.0809 -13.0809 -12.9233 -12.9231 -12.8054 -12.8042 -12.3244 -12.3235 -12.2212 -12.2201 -12.2122 -12.2122 -3.7010 -3.7008 -2.7117 -2.7115 -1.6721 -1.6684 -0.7360 -0.7359 -0.2477 -0.2474 0.2037 0.2046 0.3434 0.3446 0.5665 0.5680 0.9208 0.9218 1.1408 1.1413 1.5879 1.5888 1.8977 1.9018 2.4433 2.4456 2.7894 2.7908 2.8435 2.8472 2.9685 2.9744 3.4585 3.4613 3.7884 3.7922 3.8515 3.8519 4.3389 4.3415 4.5662 4.5670 4.8735 4.8736 5.3756 5.3761 5.8706 5.8738 11.5206 11.5207 12.4446 12.4513 13.0264 13.0299 13.4618 13.4629 13.5287 13.5288 14.3954 14.4001 k = 0.0000 0.4100 0.5800 ( 4551 PWs) bands (ev): -14.5864 -14.5864 -13.9804 -13.9802 -13.0819 -13.0819 -12.9312 -12.9310 -12.8077 -12.8065 -12.3233 -12.3224 -12.2363 -12.2353 -12.2103 -12.2103 -3.6898 -3.6897 -2.7449 -2.7448 -1.6595 -1.6558 -0.7251 -0.7249 -0.2518 -0.2515 0.2221 0.2226 0.3718 0.3732 0.5450 0.5464 0.9055 0.9065 1.1394 1.1399 1.5773 1.5781 1.8809 1.8847 2.4631 2.4654 2.7864 2.7878 2.8785 2.8823 2.9649 2.9699 3.4518 3.4540 3.7984 3.8021 3.8493 3.8495 4.3477 4.3504 4.5663 4.5671 4.8792 4.8793 5.3720 5.3725 5.8584 5.8616 11.5187 11.5187 12.4052 12.4123 13.0293 13.0325 13.4443 13.4453 13.5583 13.5586 14.3881 14.3927 k = 0.0000 0.4271 0.5800 ( 4549 PWs) bands (ev): -14.5935 -14.5934 -13.9548 -13.9547 -13.0830 -13.0830 -12.9410 -12.9407 -12.8078 -12.8067 -12.3221 -12.3211 -12.2516 -12.2506 -12.2084 -12.2084 -3.6779 -3.6778 -2.7777 -2.7776 -1.6485 -1.6448 -0.7153 -0.7150 -0.2555 -0.2552 0.2390 0.2392 0.4012 0.4029 0.5243 0.5256 0.8915 0.8925 1.1380 1.1385 1.5677 1.5684 1.8638 1.8672 2.4819 2.4841 2.7785 2.7798 2.9123 2.9163 2.9649 2.9688 3.4484 3.4501 3.8079 3.8115 3.8472 3.8472 4.3557 4.3586 4.5663 4.5670 4.8848 4.8849 5.3684 5.3689 5.8456 5.8489 11.5159 11.5159 12.3653 12.3725 13.0321 13.0349 13.4288 13.4298 13.5907 13.5912 14.3808 14.3852 k = 0.0000 0.4442 0.5800 ( 4547 PWs) bands (ev): -14.6013 -14.6012 -13.9286 -13.9284 -13.0842 -13.0842 -12.9522 -12.9520 -12.8060 -12.8049 -12.3207 -12.3197 -12.2670 -12.2661 -12.2064 -12.2064 -3.6653 -3.6653 -2.8099 -2.8098 -1.6393 -1.6356 -0.7067 -0.7064 -0.2588 -0.2586 0.2542 0.2542 0.4317 0.4336 0.5046 0.5057 0.8790 0.8798 1.1366 1.1372 1.5592 1.5597 1.8465 1.8496 2.4991 2.5012 2.7665 2.7676 2.9447 2.9489 2.9682 2.9710 3.4483 3.4495 3.8169 3.8204 3.8452 3.8454 4.3630 4.3661 4.5663 4.5669 4.8901 4.8903 5.3647 5.3652 5.8322 5.8356 11.5120 11.5122 12.3254 12.3328 13.0346 13.0372 13.4153 13.4163 13.6252 13.6258 14.3732 14.3775 k = 0.0000 0.4613 0.5800 ( 4547 PWs) bands (ev): -14.6097 -14.6097 -13.9016 -13.9014 -13.0854 -13.0854 -12.9645 -12.9643 -12.8025 -12.8015 -12.3196 -12.3184 -12.2821 -12.2814 -12.2044 -12.2044 -3.6521 -3.6521 -2.8414 -2.8413 -1.6319 -1.6282 -0.6996 -0.6992 -0.2618 -0.2616 0.2677 0.2679 0.4630 0.4652 0.4858 0.4868 0.8679 0.8686 1.1352 1.1358 1.5517 1.5521 1.8294 1.8321 2.5142 2.5160 2.7515 2.7523 2.9718 2.9725 2.9802 2.9818 3.4514 3.4521 3.8256 3.8287 3.8433 3.8440 4.3694 4.3727 4.5661 4.5667 4.8952 4.8953 5.3611 5.3616 5.8183 5.8217 11.5068 11.5072 12.2861 12.2936 13.0372 13.0395 13.4038 13.4048 13.6610 13.6619 14.3652 14.3690 k = 0.0000 0.4613 0.5800 ( 4547 PWs) bands (ev): -14.6097 -14.6097 -13.9016 -13.9014 -13.0854 -13.0854 -12.9645 -12.9643 -12.8025 -12.8015 -12.3196 -12.3184 -12.2821 -12.2814 -12.2044 -12.2044 -3.6521 -3.6521 -2.8414 -2.8413 -1.6319 -1.6282 -0.6996 -0.6992 -0.2618 -0.2616 0.2677 0.2679 0.4630 0.4652 0.4858 0.4868 0.8679 0.8686 1.1352 1.1358 1.5517 1.5521 1.8294 1.8321 2.5142 2.5160 2.7515 2.7523 2.9718 2.9725 2.9802 2.9818 3.4514 3.4521 3.8256 3.8287 3.8433 3.8440 4.3694 4.3727 4.5661 4.5667 4.8952 4.8953 5.3611 5.3616 5.8183 5.8217 11.5068 11.5072 12.2861 12.2936 13.0372 13.0395 13.4038 13.4048 13.6610 13.6619 14.3652 14.3690 k = 0.0000 0.4709 0.5655 ( 4551 PWs) bands (ev): -14.6244 -14.6244 -13.8650 -13.8648 -13.0872 -13.0872 -12.9774 -12.9771 -12.7975 -12.7965 -12.3178 -12.3161 -12.3017 -12.3015 -12.2015 -12.2015 -3.6448 -3.6448 -2.8770 -2.8769 -1.6290 -1.6255 -0.6870 -0.6866 -0.2725 -0.2723 0.2866 0.2870 0.4500 0.4509 0.5226 0.5247 0.8378 0.8386 1.1342 1.1347 1.5532 1.5536 1.8128 1.8150 2.5311 2.5323 2.7307 2.7310 2.9877 2.9883 3.0505 3.0547 3.4605 3.4609 3.8280 3.8281 3.8502 3.8542 4.3585 4.3619 4.5699 4.5705 4.8923 4.8926 5.3631 5.3635 5.7863 5.7899 11.5020 11.5026 12.2195 12.2270 13.0373 13.0393 13.3758 13.3767 13.6947 13.6961 14.3473 14.3504 k = 0.0000 0.4806 0.5509 ( 4551 PWs) bands (ev): -14.6383 -14.6383 -13.8288 -13.8285 -13.0890 -13.0890 -12.9910 -12.9908 -12.7909 -12.7900 -12.3373 -12.3361 -12.3009 -12.3004 -12.1986 -12.1986 -3.6369 -3.6369 -2.9117 -2.9116 -1.6263 -1.6229 -0.6753 -0.6749 -0.2825 -0.2824 0.3027 0.3033 0.4167 0.4175 0.5840 0.5861 0.8089 0.8098 1.1330 1.1336 1.5551 1.5554 1.7946 1.7964 2.5477 2.5484 2.7086 2.7088 3.0013 3.0015 3.1217 3.1263 3.4717 3.4718 3.8140 3.8141 3.8733 3.8774 4.3461 4.3496 4.5737 4.5743 4.8899 4.8903 5.3650 5.3654 5.7537 5.7574 11.4945 11.4954 12.1583 12.1658 13.0375 13.0392 13.3500 13.3508 13.7280 13.7299 14.3272 14.3290 k = 0.0000 0.4903 0.5364 ( 4558 PWs) bands (ev): -14.6512 -14.6512 -13.7932 -13.7930 -13.0907 -13.0907 -13.0051 -13.0049 -12.7830 -12.7822 -12.3629 -12.3618 -12.2948 -12.2942 -12.1959 -12.1958 -3.6285 -3.6285 -2.9453 -2.9452 -1.6236 -1.6204 -0.6646 -0.6641 -0.2919 -0.2918 0.3166 0.3172 0.3860 0.3866 0.6463 0.6484 0.7817 0.7827 1.1319 1.1324 1.5572 1.5575 1.7747 1.7760 2.5634 2.5636 2.6870 2.6876 3.0130 3.0133 3.1906 3.1954 3.4845 3.4846 3.7998 3.7999 3.8963 3.9005 4.3324 4.3359 4.5775 4.5781 4.8880 4.8885 5.3668 5.3672 5.7207 5.7245 11.4845 11.4855 12.1035 12.1108 13.0379 13.0394 13.3263 13.3271 13.7601 13.7625 14.3029 14.3032 k = 0.0000 0.5000 0.5219 ( 4562 PWs) bands (ev): -14.6631 -14.6631 -13.7587 -13.7585 -13.0924 -13.0924 -13.0194 -13.0192 -12.7739 -12.7731 -12.3893 -12.3883 -12.2886 -12.2880 -12.1932 -12.1932 -3.6196 -3.6195 -2.9774 -2.9773 -1.6209 -1.6179 -0.6548 -0.6544 -0.3006 -0.3005 0.3283 0.3291 0.3582 0.3586 0.7081 0.7101 0.7570 0.7579 1.1307 1.1311 1.5595 1.5597 1.7529 1.7539 2.5770 2.5772 2.6674 2.6683 3.0228 3.0233 3.2565 3.2615 3.4986 3.4990 3.7857 3.7857 3.9188 3.9231 4.3173 4.3208 4.5813 4.5819 4.8866 4.8871 5.3686 5.3689 5.6880 5.6917 11.4720 11.4731 12.0554 12.0624 13.0386 13.0400 13.3049 13.3056 13.7905 13.7934 14.2722 14.2747 k = 0.0000 0.5096 0.5073 ( 4564 PWs) bands (ev): -14.6739 -14.6739 -13.7257 -13.7255 -13.0940 -13.0939 -13.0336 -13.0335 -12.7637 -12.7630 -12.4159 -12.4150 -12.2827 -12.2822 -12.1908 -12.1907 -3.6104 -3.6103 -3.0077 -3.0076 -1.6183 -1.6155 -0.6462 -0.6458 -0.3085 -0.3084 0.3301 0.3313 0.3413 0.3414 0.7315 0.7326 0.7721 0.7738 1.1295 1.1299 1.5618 1.5620 1.7291 1.7299 2.5871 2.5876 2.6519 2.6531 3.0309 3.0315 3.3188 3.3239 3.5137 3.5142 3.7717 3.7718 3.9408 3.9451 4.3012 4.3046 4.5851 4.5857 4.8854 4.8861 5.3702 5.3706 5.6560 5.6597 11.4575 11.4587 12.0143 12.0208 13.0396 13.0408 13.2858 13.2864 13.8191 13.8223 14.2391 14.2432 k = 0.0000 0.5193 0.4928 ( 4561 PWs) bands (ev): -14.6836 -14.6836 -13.6946 -13.6943 -13.0954 -13.0954 -13.0476 -13.0474 -12.7525 -12.7518 -12.4423 -12.4414 -12.2774 -12.2769 -12.1885 -12.1885 -3.6011 -3.6011 -3.0359 -3.0358 -1.6156 -1.6131 -0.6388 -0.6383 -0.3156 -0.3155 0.3091 0.3097 0.3488 0.3491 0.7116 0.7125 0.8316 0.8332 1.1283 1.1287 1.5641 1.5643 1.7036 1.7042 2.5909 2.5916 2.6437 2.6448 3.0373 3.0380 3.3768 3.3819 3.5294 3.5300 3.7579 3.7580 3.9622 3.9664 4.2840 4.2873 4.5889 4.5895 4.8847 4.8853 5.3718 5.3721 5.6255 5.6290 11.4418 11.4429 11.9800 11.9859 13.0408 13.0418 13.2689 13.2695 13.8456 13.8493 14.2058 14.2108 k = 0.0000 0.5290 0.4783 ( 4561 PWs) bands (ev): -14.6920 -14.6920 -13.6658 -13.6655 -13.0967 -13.0967 -13.0609 -13.0608 -12.7403 -12.7396 -12.4682 -12.4674 -12.2726 -12.2721 -12.1865 -12.1865 -3.5920 -3.5919 -3.0617 -3.0616 -1.6131 -1.6109 -0.6325 -0.6320 -0.3218 -0.3217 0.2895 0.2900 0.3561 0.3565 0.6935 0.6944 0.8896 0.8909 1.1273 1.1276 1.5662 1.5664 1.6765 1.6770 2.5872 2.5876 2.6442 2.6449 3.0422 3.0430 3.4298 3.4348 3.5452 3.5458 3.7444 3.7446 3.9828 3.9869 4.2662 4.2693 4.5926 4.5931 4.8841 4.8848 5.3732 5.3735 5.5970 5.6003 11.4255 11.4265 11.9521 11.9573 13.0422 13.0431 13.2544 13.2549 13.8703 13.8742 14.1736 14.1790 k = 0.0000 0.5387 0.4637 ( 4566 PWs) bands (ev): -14.6992 -14.6992 -13.6398 -13.6396 -13.0978 -13.0978 -13.0733 -13.0733 -12.7272 -12.7266 -12.4934 -12.4926 -12.2685 -12.2681 -12.1847 -12.1847 -3.5834 -3.5833 -3.0846 -3.0845 -1.6108 -1.6089 -0.6272 -0.6269 -0.3271 -0.3270 0.2728 0.2732 0.3622 0.3626 0.6781 0.6789 0.9443 0.9454 1.1263 1.1266 1.5681 1.5683 1.6486 1.6489 2.5794 2.5794 2.6496 2.6500 3.0460 3.0467 3.4771 3.4817 3.5607 3.5613 3.7313 3.7315 4.0026 4.0064 4.2479 4.2507 4.5960 4.5965 4.8838 4.8845 5.3745 5.3747 5.5712 5.5742 11.4097 11.4105 11.9301 11.9345 13.0437 13.0444 13.2421 13.2425 13.8931 13.8973 14.1430 14.1486 k = 0.0000 0.5484 0.4492 ( 4568 PWs) bands (ev): -14.7051 -14.7051 -13.6174 -13.6172 -13.0988 -13.0987 -13.0844 -13.0844 -12.7135 -12.7129 -12.5173 -12.5166 -12.2650 -12.2647 -12.1832 -12.1832 -3.5755 -3.5754 -3.1043 -3.1042 -1.6088 -1.6072 -0.6231 -0.6228 -0.3315 -0.3314 0.2591 0.2594 0.3671 0.3675 0.6654 0.6661 0.9943 0.9953 1.1255 1.1258 1.5698 1.5699 1.6209 1.6210 2.5710 2.5711 2.6560 2.6562 3.0488 3.0494 3.5176 3.5218 3.5756 3.5761 3.7188 3.7190 4.0214 4.0248 4.2297 4.2321 4.5991 4.5995 4.8837 4.8843 5.3756 5.3757 5.5490 5.5515 11.3952 11.3959 11.9132 11.9168 13.0450 13.0456 13.2320 13.2324 13.9145 13.9188 14.1146 14.1201 k = 0.0000 0.5580 0.4347 ( 4566 PWs) bands (ev): -14.7097 -14.7097 -13.5989 -13.5988 -13.0996 -13.0995 -13.0937 -13.0937 -12.6996 -12.6990 -12.5393 -12.5387 -12.2623 -12.2621 -12.1821 -12.1821 -3.5687 -3.5687 -3.1202 -3.1201 -1.6070 -1.6058 -0.6199 -0.6197 -0.3349 -0.3349 0.2484 0.2486 0.3709 0.3712 0.6555 0.6560 1.0380 1.0387 1.1249 1.1252 1.5709 1.5711 1.5950 1.5950 2.5639 2.5640 2.6617 2.6618 3.0508 3.0513 3.5506 3.5540 3.5893 3.5897 3.7071 3.7073 4.0388 4.0416 4.2124 4.2142 4.6018 4.6021 4.8837 4.8842 5.3764 5.3766 5.5309 5.5329 11.3830 11.3835 11.9009 11.9036 13.0463 13.0467 13.2242 13.2245 13.9344 13.9388 14.0888 14.0940 k = 0.0000 0.5677 0.4202 ( 4570 PWs) bands (ev): -14.7131 -14.7131 -13.5852 -13.5851 -13.1015 -13.1012 -13.0997 -13.0995 -12.6865 -12.6860 -12.5584 -12.5578 -12.2603 -12.2602 -12.1812 -12.1812 -3.5636 -3.5635 -3.1320 -3.1319 -1.6057 -1.6049 -0.6177 -0.6175 -0.3374 -0.3374 0.2407 0.2408 0.3735 0.3737 0.6485 0.6489 1.0727 1.0731 1.1244 1.1247 1.5692 1.5697 1.5753 1.5757 2.5586 2.5587 2.6661 2.6661 3.0521 3.0525 3.5752 3.5775 3.6011 3.6014 3.6970 3.6972 4.0539 4.0559 4.1971 4.1984 4.6038 4.6040 4.8838 4.8841 5.3771 5.3772 5.5175 5.5189 11.3737 11.3741 11.8926 11.8944 13.0473 13.0475 13.2187 13.2189 13.9528 13.9568 14.0663 14.0709 k = 0.0000 0.5774 0.4056 ( 4580 PWs) bands (ev): -14.7151 -14.7151 -13.5767 -13.5766 -13.1056 -13.1055 -13.1002 -13.1002 -12.6761 -12.6758 -12.5722 -12.5719 -12.2591 -12.2591 -12.1807 -12.1807 -3.5603 -3.5603 -3.1392 -3.1392 -1.6048 -1.6044 -0.6164 -0.6163 -0.3389 -0.3389 0.2361 0.2362 0.3751 0.3752 0.6443 0.6445 1.0954 1.0955 1.1242 1.1244 1.5568 1.5569 1.5735 1.5736 2.5554 2.5555 2.6688 2.6688 3.0529 3.0531 3.5905 3.5916 3.6095 3.6097 3.6897 3.6898 4.0651 4.0661 4.1862 4.1868 4.6051 4.6052 4.8839 4.8841 5.3775 5.3775 5.5095 5.5102 11.3680 11.3682 11.8880 11.8889 13.0479 13.0480 13.2154 13.2155 13.9682 13.9710 14.0493 14.0524 k = 0.0000 0.5871 0.3911 ( 4580 PWs) bands (ev): -14.7157 -14.7157 -13.5738 -13.5738 -13.1071 -13.1071 -13.1004 -13.1004 -12.6718 -12.6718 -12.5774 -12.5774 -12.2587 -12.2587 -12.1805 -12.1805 -3.5592 -3.5592 -3.1417 -3.1417 -1.6043 -1.6043 -0.6159 -0.6159 -0.3394 -0.3394 0.2346 0.2346 0.3757 0.3757 0.6430 0.6430 1.1034 1.1034 1.1243 1.1243 1.5516 1.5516 1.5736 1.5736 2.5544 2.5544 2.6697 2.6697 3.0533 3.0533 3.5960 3.5960 3.6128 3.6128 3.6869 3.6869 4.0696 4.0696 4.1822 4.1822 4.6056 4.6056 4.8840 4.8840 5.3776 5.3776 5.5070 5.5070 11.3661 11.3661 11.8868 11.8868 13.0482 13.0482 13.2143 13.2143 13.9760 13.9760 14.0434 14.0434 k = 0.0000 0.5871 0.3911 ( 4580 PWs) bands (ev): -14.7157 -14.7157 -13.5738 -13.5738 -13.1071 -13.1071 -13.1004 -13.1004 -12.6718 -12.6718 -12.5774 -12.5774 -12.2587 -12.2587 -12.1805 -12.1805 -3.5592 -3.5592 -3.1417 -3.1417 -1.6043 -1.6043 -0.6159 -0.6159 -0.3394 -0.3394 0.2346 0.2346 0.3757 0.3757 0.6430 0.6430 1.1034 1.1034 1.1243 1.1243 1.5516 1.5516 1.5736 1.5736 2.5544 2.5544 2.6697 2.6697 3.0533 3.0533 3.5960 3.5960 3.6128 3.6128 3.6869 3.6869 4.0696 4.0696 4.1822 4.1822 4.6056 4.6056 4.8840 4.8840 5.3776 5.3776 5.5070 5.5070 11.3661 11.3661 11.8868 11.8868 13.0482 13.0482 13.2143 13.2143 13.9760 13.9760 14.0434 14.0434 k = 0.0172 0.5871 0.3911 ( 4578 PWs) bands (ev): -14.7150 -14.7150 -13.5735 -13.5734 -13.1364 -13.1350 -13.0733 -13.0718 -12.6717 -12.6716 -12.5775 -12.5775 -12.2593 -12.2590 -12.1810 -12.1806 -3.5574 -3.5572 -3.1402 -3.1401 -1.6044 -1.6043 -0.6178 -0.6173 -0.3395 -0.3390 0.2352 0.2352 0.3753 0.3755 0.6435 0.6438 1.1005 1.1029 1.1201 1.1225 1.5518 1.5544 1.5722 1.5743 2.5547 2.5551 2.6700 2.6705 3.0524 3.0528 3.5927 3.5952 3.6125 3.6153 3.6852 3.6858 4.0703 4.0709 4.1828 4.1834 4.6045 4.6048 4.8834 4.8836 5.3769 5.3776 5.5070 5.5075 11.3686 11.3688 11.8879 11.8883 13.0495 13.0508 13.2143 13.2152 13.9773 13.9773 14.0451 14.0454 k = 0.0345 0.5871 0.3911 ( 4570 PWs) bands (ev): -14.7130 -14.7129 -13.5724 -13.5723 -13.1689 -13.1675 -13.0433 -13.0418 -12.6711 -12.6711 -12.5779 -12.5778 -12.2606 -12.2600 -12.1819 -12.1812 -3.5519 -3.5516 -3.1356 -3.1354 -1.6046 -1.6043 -0.6231 -0.6222 -0.3395 -0.3383 0.2369 0.2371 0.3744 0.3749 0.6454 0.6460 1.0923 1.0967 1.1128 1.1170 1.5541 1.5594 1.5703 1.5752 2.5560 2.5568 2.6712 2.6721 3.0502 3.0510 3.5871 3.5905 3.6140 3.6182 3.6810 3.6822 4.0728 4.0740 4.1853 4.1865 4.6014 4.6020 4.8819 4.8822 5.3754 5.3768 5.5075 5.5085 11.3762 11.3766 11.8918 11.8924 13.0547 13.0574 13.2152 13.2171 13.9809 13.9809 14.0505 14.0513 k = 0.0517 0.5871 0.3911 ( 4576 PWs) bands (ev): -14.7095 -14.7095 -13.5706 -13.5705 -13.2023 -13.2009 -13.0141 -13.0127 -12.6703 -12.6703 -12.5786 -12.5784 -12.2628 -12.2619 -12.1833 -12.1823 -3.5428 -3.5423 -3.1280 -3.1277 -1.6049 -1.6044 -0.6318 -0.6304 -0.3391 -0.3375 0.2399 0.2401 0.3729 0.3736 0.6486 0.6495 1.0756 1.0795 1.1084 1.1117 1.5558 1.5616 1.5721 1.5785 2.5582 2.5594 2.6734 2.6747 3.0468 3.0480 3.5799 3.5836 3.6151 3.6194 3.6757 3.6774 4.0767 4.0785 4.1897 4.1915 4.5964 4.5973 4.8794 4.8798 5.3732 5.3752 5.5084 5.5099 11.3888 11.3894 11.8983 11.8993 13.0636 13.0676 13.2173 13.2201 13.9862 13.9863 14.0601 14.0614 k = 0.0690 0.5871 0.3911 ( 4572 PWs) bands (ev): -14.7047 -14.7047 -13.5681 -13.5679 -13.2364 -13.2350 -12.9858 -12.9844 -12.6691 -12.6691 -12.5795 -12.5792 -12.2657 -12.2646 -12.1852 -12.1839 -3.5300 -3.5293 -3.1174 -3.1170 -1.6053 -1.6047 -0.6439 -0.6421 -0.3385 -0.3364 0.2441 0.2444 0.3708 0.3718 0.6530 0.6542 1.0508 1.0540 1.1055 1.1076 1.5543 1.5576 1.5801 1.5860 2.5614 2.5629 2.6764 2.6781 3.0424 3.0438 3.5714 3.5751 3.6137 3.6176 3.6710 3.6731 4.0815 4.0837 4.1961 4.1984 4.5896 4.5908 4.8760 4.8766 5.3703 5.3727 5.5100 5.5118 11.4061 11.4069 11.9076 11.9089 13.0756 13.0811 13.2208 13.2248 13.9926 13.9928 14.0743 14.0761 k = 0.0862 0.5871 0.3911 ( 4568 PWs) bands (ev): -14.6985 -14.6984 -13.5649 -13.5647 -13.2712 -13.2698 -12.9584 -12.9570 -12.6677 -12.6676 -12.5807 -12.5804 -12.2693 -12.2680 -12.1876 -12.1860 -3.5136 -3.5128 -3.1038 -3.1033 -1.6058 -1.6050 -0.6595 -0.6573 -0.3377 -0.3352 0.2494 0.2498 0.3682 0.3694 0.6584 0.6600 1.0201 1.0228 1.1026 1.1038 1.5500 1.5515 1.5898 1.5961 2.5655 2.5673 2.6800 2.6822 3.0369 3.0386 3.5610 3.5647 3.6088 3.6119 3.6689 3.6714 4.0865 4.0891 4.2046 4.2073 4.5810 4.5825 4.8717 4.8725 5.3666 5.3695 5.5120 5.5142 11.4276 11.4287 11.9198 11.9215 13.0901 13.0971 13.2266 13.2316 13.9995 13.9999 14.0934 14.0957 k = 0.1034 0.5871 0.3911 ( 4572 PWs) bands (ev): -14.6910 -14.6909 -13.5610 -13.5608 -13.3067 -13.3053 -12.9319 -12.9305 -12.6659 -12.6658 -12.5822 -12.5818 -12.2736 -12.2721 -12.1904 -12.1886 -3.4937 -3.4927 -3.0874 -3.0868 -1.6065 -1.6056 -0.6785 -0.6761 -0.3366 -0.3338 0.2559 0.2564 0.3650 0.3664 0.6648 0.6666 0.9851 0.9875 1.0992 1.0998 1.5438 1.5444 1.5999 1.6069 2.5703 2.5724 2.6841 2.6867 3.0307 3.0326 3.5483 3.5522 3.6006 3.6030 3.6696 3.6726 4.0913 4.0943 4.2149 4.2179 4.5708 4.5726 4.8667 4.8675 5.3623 5.3655 5.5146 5.5170 11.4531 11.4544 11.9351 11.9372 13.1059 13.1143 13.2355 13.2415 14.0065 14.0070 14.1171 14.1199 k = 0.1207 0.5871 0.3911 ( 4570 PWs) bands (ev): -14.6820 -14.6820 -13.5565 -13.5563 -13.3427 -13.3414 -12.9063 -12.9049 -12.6638 -12.6637 -12.5841 -12.5836 -12.2785 -12.2768 -12.1937 -12.1916 -3.4703 -3.4692 -3.0681 -3.0674 -1.6075 -1.6063 -0.7011 -0.6984 -0.3352 -0.3321 0.2635 0.2641 0.3612 0.3628 0.6717 0.6738 0.9474 0.9494 1.0953 1.0958 1.5361 1.5371 1.6097 1.6172 2.5758 2.5781 2.6886 2.6916 3.0239 3.0259 3.5329 3.5371 3.5905 3.5930 3.6725 3.6760 4.0957 4.0989 4.2268 4.2301 4.5591 4.5612 4.8608 4.8618 5.3573 5.3607 5.5178 5.5203 11.4818 11.4834 11.9537 11.9563 13.1216 13.1310 13.2493 13.2558 14.0135 14.0141 14.1451 14.1483 k = 0.1379 0.5871 0.3911 ( 4572 PWs) bands (ev): -14.6718 -14.6717 -13.5514 -13.5512 -13.3793 -13.3780 -12.8816 -12.8802 -12.6615 -12.6614 -12.5863 -12.5858 -12.2839 -12.2821 -12.1973 -12.1952 -3.4435 -3.4423 -3.0461 -3.0454 -1.6086 -1.6073 -0.7273 -0.7244 -0.3336 -0.3303 0.2721 0.2729 0.3567 0.3586 0.6785 0.6811 0.9082 0.9098 1.0908 1.0916 1.5276 1.5292 1.6185 1.6266 2.5819 2.5843 2.6933 2.6967 3.0167 3.0188 3.5150 3.5195 3.5801 3.5829 3.6768 3.6806 4.0996 4.1029 4.2400 4.2434 4.5460 4.5485 4.8543 4.8555 5.3516 5.3553 5.5214 5.5239 11.5130 11.5149 11.9760 11.9790 13.1358 13.1454 13.2692 13.2757 14.0203 14.0210 14.1765 14.1799 k = 0.1552 0.5871 0.3911 ( 4568 PWs) bands (ev): -14.6602 -14.6601 -13.5458 -13.5455 -13.4163 -13.4150 -12.8578 -12.8564 -12.6590 -12.6589 -12.5889 -12.5883 -12.2897 -12.2879 -12.2014 -12.1991 -3.4135 -3.4121 -3.0215 -3.0207 -1.6101 -1.6086 -0.7571 -0.7541 -0.3317 -0.3282 0.2818 0.2827 0.3514 0.3536 0.6841 0.6871 0.8692 0.8707 1.0861 1.0871 1.5188 1.5208 1.6260 1.6345 2.5884 2.5908 2.6980 2.7018 3.0093 3.0113 3.4948 3.4995 3.5701 3.5733 3.6819 3.6859 4.1030 4.1064 4.2540 4.2575 4.5318 4.5347 4.8473 4.8485 5.3455 5.3492 5.5255 5.5280 11.5459 11.5483 12.0023 12.0057 13.1476 13.1568 13.2960 13.3016 14.0271 14.0277 14.2103 14.2138 k = 0.1724 0.5871 0.3911 ( 4576 PWs) bands (ev): -14.6473 -14.6472 -13.5398 -13.5395 -13.4536 -13.4524 -12.8348 -12.8334 -12.6562 -12.6561 -12.5918 -12.5913 -12.2960 -12.2941 -12.2058 -12.2034 -3.3803 -3.3788 -2.9945 -2.9936 -1.6119 -1.6103 -0.7905 -0.7873 -0.3295 -0.3260 0.2924 0.2935 0.3453 0.3477 0.6862 0.6897 0.8334 0.8351 1.0812 1.0825 1.5098 1.5122 1.6321 1.6409 2.5952 2.5976 2.7028 2.7070 3.0018 3.0037 3.4730 3.4779 3.5607 3.5641 3.6873 3.6916 4.1060 4.1094 4.2684 4.2718 4.5168 4.5201 4.8397 4.8411 5.3389 5.3427 5.5299 5.5324 11.5798 11.5825 12.0328 12.0367 13.1570 13.1653 13.3290 13.3334 14.0335 14.0343 14.2453 14.2487 k = 0.1897 0.5871 0.3911 ( 4582 PWs) bands (ev): -14.6331 -14.6330 -13.5338 -13.5335 -13.4909 -13.4896 -12.8127 -12.8113 -12.6534 -12.6533 -12.5951 -12.5946 -12.3026 -12.3007 -12.2105 -12.2081 -3.3441 -3.3425 -2.9651 -2.9641 -1.6141 -1.6123 -0.8275 -0.8243 -0.3271 -0.3235 0.3038 0.3052 0.3382 0.3409 0.6804 0.6841 0.8059 0.8078 1.0762 1.0778 1.5008 1.5036 1.6365 1.6457 2.6019 2.6042 2.7075 2.7122 2.9943 2.9960 3.4502 3.4553 3.5518 3.5552 3.6931 3.6974 4.1085 4.1120 4.2826 4.2859 4.5012 4.5050 4.8317 4.8332 5.3320 5.3357 5.5346 5.5370 11.6138 11.6167 12.0681 12.0724 13.1643 13.1716 13.3670 13.3700 14.0397 14.0405 14.2803 14.2833 k = 0.2069 0.5871 0.3911 ( 4574 PWs) bands (ev): -14.6176 -14.6175 -13.5361 -13.5354 -13.5199 -13.5184 -12.7914 -12.7901 -12.6504 -12.6503 -12.5988 -12.5983 -12.3094 -12.3075 -12.2155 -12.2131 -3.3050 -3.3034 -2.9335 -2.9324 -1.6168 -1.6149 -0.8680 -0.8647 -0.3243 -0.3207 0.3156 0.3174 0.3301 0.3331 0.6622 0.6655 0.7922 0.7939 1.0713 1.0730 1.4920 1.4950 1.6393 1.6487 2.6084 2.6104 2.7125 2.7175 2.9870 2.9884 3.4269 3.4321 3.5433 3.5468 3.6989 3.7032 4.1108 4.1143 4.2961 4.2993 4.4854 4.4899 4.8234 4.8250 5.3248 5.3284 5.5396 5.5419 11.6470 11.6502 12.1083 12.1129 13.1701 13.1765 13.4086 13.4104 14.0456 14.0466 14.3143 14.3167 k = 0.2241 0.5871 0.3911 ( 4572 PWs) bands (ev): -14.6009 -14.6007 -13.5701 -13.5693 -13.5165 -13.5159 -12.7709 -12.7697 -12.6475 -12.6473 -12.6028 -12.6023 -12.3165 -12.3147 -12.2208 -12.2184 -3.2634 -3.2617 -2.9000 -2.8988 -1.6201 -1.6180 -0.9119 -0.9086 -0.3213 -0.3177 0.3188 0.3213 0.3306 0.3318 0.6333 0.6356 0.7913 0.7923 1.0666 1.0685 1.4836 1.4866 1.6406 1.6501 2.6143 2.6161 2.7176 2.7230 2.9798 2.9809 3.4033 3.4087 3.5351 3.5386 3.7047 3.7090 4.1129 4.1164 4.3084 4.3115 4.4701 4.4753 4.8148 4.8166 5.3174 5.3208 5.5447 5.5469 11.6789 11.6823 12.1535 12.1583 13.1749 13.1805 13.4524 13.4532 14.0512 14.0525 14.3469 14.3488 k = 0.2414 0.5871 0.3911 ( 4566 PWs) bands (ev): -14.5829 -14.5827 -13.6083 -13.6074 -13.5092 -13.5086 -12.7513 -12.7501 -12.6447 -12.6443 -12.6069 -12.6065 -12.3238 -12.3220 -12.2261 -12.2238 -3.2193 -3.2176 -2.8645 -2.8632 -1.6239 -1.6218 -0.9592 -0.9558 -0.3179 -0.3144 0.3072 0.3105 0.3431 0.3449 0.5992 0.6008 0.7974 0.7980 1.0622 1.0642 1.4755 1.4786 1.6403 1.6500 2.6192 2.6208 2.7232 2.7289 2.9730 2.9738 3.3799 3.3854 3.5274 3.5309 3.7104 3.7147 4.1149 4.1184 4.3183 4.3216 4.4560 4.4622 4.8062 4.8080 5.3100 5.3132 5.5500 5.5519 11.7089 11.7124 12.2035 12.2085 13.1791 13.1840 13.4970 13.4973 14.0568 14.0586 14.3783 14.3799 k = 0.2586 0.5871 0.3911 ( 4560 PWs) bands (ev): -14.5637 -14.5635 -13.6468 -13.6460 -13.5013 -13.5008 -12.7326 -12.7314 -12.6422 -12.6416 -12.6110 -12.6107 -12.3312 -12.3295 -12.2316 -12.2293 -3.1731 -3.1713 -2.8274 -2.8261 -1.6284 -1.6262 -1.0095 -1.0060 -0.3141 -0.3108 0.2928 0.2963 0.3566 0.3588 0.5644 0.5659 0.8068 0.8070 1.0583 1.0604 1.4679 1.4711 1.6386 1.6484 2.6229 2.6244 2.7293 2.7354 2.9665 2.9670 3.3567 3.3624 3.5201 3.5236 3.7160 3.7203 4.1168 4.1203 4.3248 4.3285 4.4446 4.4517 4.7974 4.7993 5.3025 5.3056 5.5552 5.5570 11.7368 11.7404 12.2580 12.2631 13.1828 13.1872 13.5406 13.5415 14.0628 14.0651 14.4091 14.4109 k = 0.2759 0.5871 0.3911 ( 4552 PWs) bands (ev): -14.5433 -14.5431 -13.6856 -13.6848 -13.4932 -13.4927 -12.7149 -12.7136 -12.6402 -12.6393 -12.6147 -12.6144 -12.3388 -12.3372 -12.2370 -12.2349 -3.1251 -3.1233 -2.7889 -2.7874 -1.6337 -1.6313 -1.0627 -1.0591 -0.3100 -0.3067 0.2752 0.2788 0.3701 0.3729 0.5319 0.5337 0.8175 0.8175 1.0550 1.0571 1.4610 1.4642 1.6356 1.6455 2.6252 2.6269 2.7359 2.7422 2.9606 2.9610 3.3339 3.3397 3.5133 3.5167 3.7214 3.7256 4.1187 4.1223 4.3267 4.3308 4.4372 4.4450 4.7887 4.7907 5.2952 5.2981 5.5604 5.5621 11.7625 11.7661 12.3165 12.3216 13.1862 13.1901 13.5821 13.5835 14.0699 14.0729 14.4402 14.4424 k = 0.2931 0.5871 0.3911 ( 4552 PWs) bands (ev): -14.5217 -14.5215 -13.7243 -13.7235 -13.4850 -13.4845 -12.6984 -12.6970 -12.6392 -12.6378 -12.6174 -12.6170 -12.3464 -12.3450 -12.2425 -12.2404 -3.0756 -3.0739 -2.7490 -2.7474 -1.6397 -1.6372 -1.1184 -1.1148 -0.3054 -0.3023 0.2542 0.2578 0.3830 0.3867 0.5035 0.5058 0.8283 0.8284 1.0523 1.0544 1.4547 1.4580 1.6316 1.6414 2.6262 2.6282 2.7427 2.7492 2.9555 2.9560 3.3115 3.3174 3.5071 3.5104 3.7267 3.7307 4.1207 4.1243 4.3232 4.3274 4.4349 4.4430 4.7802 4.7822 5.2881 5.2908 5.5655 5.5670 11.7860 11.7894 12.3783 12.3833 13.1894 13.1929 13.6194 13.6212 14.0790 14.0828 14.4723 14.4750 k = 0.3103 0.5871 0.3911 ( 4548 PWs) bands (ev): -14.4990 -14.4988 -13.7630 -13.7622 -13.4769 -13.4764 -12.6839 -12.6822 -12.6391 -12.6370 -12.6186 -12.6179 -12.3542 -12.3529 -12.2477 -12.2459 -3.0253 -3.0236 -2.7081 -2.7063 -1.6464 -1.6439 -1.1762 -1.1725 -0.3004 -0.2975 0.2297 0.2330 0.3945 0.3994 0.4806 0.4838 0.8387 0.8390 1.0505 1.0525 1.4493 1.4526 1.6265 1.6364 2.6261 2.6285 2.7493 2.7560 2.9517 2.9524 3.2895 3.2955 3.5015 3.5046 3.7316 3.7355 4.1229 4.1264 4.3150 4.3189 4.4372 4.4450 4.7718 4.7739 5.2813 5.2837 5.5704 5.5717 11.8073 11.8106 12.4425 12.4474 13.1925 13.1956 13.6505 13.6526 14.0912 14.0959 14.5061 14.5092 k = 0.3276 0.5871 0.3911 ( 4546 PWs) bands (ev): -14.4752 -14.4750 -13.8015 -13.8008 -13.4689 -13.4684 -12.6728 -12.6707 -12.6379 -12.6353 -12.6180 -12.6173 -12.3621 -12.3609 -12.2528 -12.2511 -2.9745 -2.9729 -2.6662 -2.6643 -1.6539 -1.6514 -1.2357 -1.2320 -0.2949 -0.2921 0.2023 0.2052 0.4028 0.4093 0.4649 0.4696 0.8483 0.8487 1.0494 1.0514 1.4448 1.4483 1.6207 1.6305 2.6251 2.6279 2.7553 2.7620 2.9497 2.9506 3.2679 3.2739 3.4965 3.4995 3.7364 3.7400 4.1252 4.1287 4.3035 4.3070 4.4427 4.4499 4.7637 4.7658 5.2748 5.2771 5.5750 5.5762 11.8266 11.8296 12.5084 12.5132 13.1954 13.1981 13.6735 13.6758 14.1074 14.1128 14.5421 14.5455 k = 0.3448 0.5871 0.3911 ( 4548 PWs) bands (ev): -14.4504 -14.4502 -13.8397 -13.8391 -13.4612 -13.4607 -12.6677 -12.6655 -12.6323 -12.6296 -12.6164 -12.6157 -12.3701 -12.3690 -12.2576 -12.2560 -2.9241 -2.9226 -2.6236 -2.6215 -1.6622 -1.6596 -1.2962 -1.2925 -0.2889 -0.2863 0.1727 0.1751 0.4056 0.4129 0.4591 0.4647 0.8568 0.8574 1.0491 1.0510 1.4413 1.4450 1.6143 1.6240 2.6235 2.6266 2.7601 2.7666 2.9501 2.9512 3.2465 3.2526 3.4922 3.4950 3.7408 3.7442 4.1278 4.1313 4.2900 4.2932 4.4498 4.4563 4.7561 4.7581 5.2688 5.2708 5.5794 5.5804 11.8439 11.8467 12.5751 12.5796 13.1981 13.2006 13.6871 13.6896 14.1278 14.1338 14.5808 14.5844 k = 0.3621 0.5871 0.3911 ( 4532 PWs) bands (ev): -14.4246 -14.4244 -13.8776 -13.8770 -13.4538 -13.4534 -12.6679 -12.6662 -12.6220 -12.6198 -12.6143 -12.6137 -12.3782 -12.3771 -12.2621 -12.2607 -2.8748 -2.8734 -2.5803 -2.5781 -1.6712 -1.6687 -1.3572 -1.3534 -0.2823 -0.2799 0.1421 0.1440 0.4030 0.4093 0.4634 0.4682 0.8641 0.8647 1.0494 1.0512 1.4389 1.4428 1.6074 1.6169 2.6216 2.6248 2.7634 2.7696 2.9532 2.9545 3.2254 3.2315 3.4886 3.4911 3.7449 3.7480 4.1307 4.1343 4.2756 4.2786 4.4575 4.4633 4.7489 4.7508 5.2632 5.2650 5.5834 5.5844 11.8593 11.8618 12.6415 12.6459 13.2008 13.2030 13.6913 13.6939 14.1518 14.1581 14.6224 14.6261 k = 0.3793 0.5871 0.3911 ( 4534 PWs) bands (ev): -14.3979 -14.3976 -13.9150 -13.9145 -13.4470 -13.4466 -12.6709 -12.6695 -12.6124 -12.6116 -12.6098 -12.6080 -12.3862 -12.3852 -12.2661 -12.2649 -2.8276 -2.8263 -2.5367 -2.5344 -1.6809 -1.6785 -1.4176 -1.4138 -0.2753 -0.2731 0.1115 0.1129 0.3979 0.4028 0.4725 0.4761 0.8700 0.8707 1.0503 1.0519 1.4376 1.4418 1.6002 1.6094 2.6195 2.6228 2.7650 2.7707 2.9592 2.9609 3.2045 3.2105 3.4855 3.4879 3.7487 3.7515 4.1341 4.1376 4.2610 4.2639 4.4651 4.4703 4.7422 4.7441 5.2582 5.2598 5.5871 5.5879 11.8728 11.8751 12.7068 12.7109 13.2033 13.2053 13.6868 13.6893 14.1779 14.1842 14.6671 14.6707 k = 0.3966 0.5871 0.3911 ( 4532 PWs) bands (ev): -14.3703 -14.3701 -13.9519 -13.9514 -13.4407 -13.4404 -12.6748 -12.6737 -12.6101 -12.6096 -12.5977 -12.5961 -12.3942 -12.3932 -12.2697 -12.2686 -2.7836 -2.7825 -2.4931 -2.4906 -1.6915 -1.6893 -1.4760 -1.4724 -0.2678 -0.2658 0.0820 0.0830 0.3927 0.3964 0.4827 0.4854 0.8747 0.8754 1.0515 1.0529 1.4375 1.4418 1.5930 1.6017 2.6175 2.6207 2.7651 2.7702 2.9681 2.9702 3.1837 3.1897 3.4831 3.4852 3.7521 3.7546 4.1379 4.1414 4.2466 4.2495 4.4724 4.4769 4.7363 4.7380 5.2538 5.2551 5.5904 5.5910 11.8846 11.8865 12.7697 12.7735 13.2058 13.2074 13.6751 13.6776 14.2043 14.2102 14.7146 14.7180 k = 0.4138 0.5871 0.3911 ( 4524 PWs) bands (ev): -14.3422 -14.3419 -13.9880 -13.9875 -13.4352 -13.4349 -12.6787 -12.6778 -12.6082 -12.6077 -12.5861 -12.5848 -12.4018 -12.4009 -12.2727 -12.2719 -2.7439 -2.7430 -2.4501 -2.4476 -1.7031 -1.7012 -1.5308 -1.5274 -0.2601 -0.2583 0.0545 0.0551 0.3880 0.3909 0.4925 0.4946 0.8783 0.8789 1.0529 1.0540 1.4385 1.4428 1.5861 1.5941 2.6158 2.6186 2.7640 2.7684 2.9796 2.9822 3.1631 3.1689 3.4812 3.4830 3.7551 3.7572 4.1423 4.1458 4.2328 4.2357 4.4789 4.4827 4.7310 4.7326 5.2500 5.2511 5.5932 5.5937 11.8945 11.8961 12.8289 12.8322 13.2080 13.2095 13.6583 13.6606 14.2292 14.2345 14.7641 14.7673 k = 0.4310 0.5871 0.3911 ( 4528 PWs) bands (ev): -14.3136 -14.3134 -14.0231 -14.0227 -13.4305 -13.4303 -12.6823 -12.6816 -12.6065 -12.6061 -12.5757 -12.5745 -12.4090 -12.4082 -12.2753 -12.2746 -2.7097 -2.7090 -2.4088 -2.4063 -1.7165 -1.7150 -1.5790 -1.5760 -0.2523 -0.2508 0.0298 0.0303 0.3843 0.3864 0.5013 0.5028 0.8808 0.8814 1.0542 1.0551 1.4403 1.4443 1.5798 1.5868 2.6143 2.6168 2.7623 2.7659 2.9933 2.9964 3.1426 3.1482 3.4798 3.4812 3.7577 3.7593 4.1473 4.1508 4.2197 4.2226 4.4846 4.4877 4.7266 4.7280 5.2469 5.2478 5.5955 5.5959 11.9027 11.9040 12.8825 12.8855 13.2102 13.2114 13.6386 13.6406 14.2511 14.2556 14.8145 14.8175 k = 0.4483 0.5871 0.3911 ( 4530 PWs) bands (ev): -14.2852 -14.2850 -14.0566 -14.0562 -13.4268 -13.4266 -12.6853 -12.6848 -12.6051 -12.6049 -12.5667 -12.5658 -12.4152 -12.4146 -12.2772 -12.2767 -2.6820 -2.6814 -2.3710 -2.3688 -1.7322 -1.7314 -1.6173 -1.6150 -0.2451 -0.2439 0.0090 0.0093 0.3815 0.3830 0.5085 0.5097 0.8826 0.8831 1.0553 1.0560 1.4426 1.4461 1.5744 1.5802 2.6132 2.6152 2.7604 2.7632 3.0088 3.0123 3.1222 3.1276 3.4788 3.4799 3.7597 3.7610 4.1530 4.1565 4.2074 4.2105 4.4892 4.4916 4.7232 4.7242 5.2444 5.2451 5.5974 5.5977 11.9091 11.9100 12.9286 12.9310 13.2122 13.2132 13.6184 13.6201 14.2692 14.2727 14.8638 14.8666 k = 0.4655 0.5871 0.3911 ( 4526 PWs) bands (ev): -14.2581 -14.2579 -14.0873 -14.0870 -13.4240 -13.4239 -12.6876 -12.6872 -12.6041 -12.6039 -12.5596 -12.5590 -12.4202 -12.4197 -12.2786 -12.2783 -2.6616 -2.6612 -2.3396 -2.3380 -1.7496 -1.7493 -1.6430 -1.6417 -0.2389 -0.2381 -0.0071 -0.0069 0.3795 0.3805 0.5140 0.5147 0.8837 0.8841 1.0562 1.0567 1.4450 1.4476 1.5705 1.5747 2.6125 2.6139 2.7589 2.7608 3.0256 3.0295 3.1021 3.1073 3.4782 3.4789 3.7613 3.7621 4.1595 4.1629 4.1963 4.1993 4.4927 4.4943 4.7207 4.7214 5.2427 5.2431 5.5987 5.5989 11.9137 11.9143 12.9646 12.9663 13.2140 13.2147 13.6008 13.6020 14.2827 14.2851 14.9085 14.9107 k = 0.4828 0.5871 0.3911 ( 4522 PWs) bands (ev): -14.2356 -14.2354 -14.1120 -14.1117 -13.4223 -13.4222 -12.6889 -12.6887 -12.6035 -12.6034 -12.5551 -12.5547 -12.4234 -12.4231 -12.2794 -12.2793 -2.6490 -2.6488 -2.3182 -2.3173 -1.7641 -1.7640 -1.6568 -1.6562 -0.2346 -0.2342 -0.0172 -0.0171 0.3785 0.3789 0.5174 0.5177 0.8844 0.8846 1.0568 1.0570 1.4470 1.4484 1.5685 1.5706 2.6123 2.6130 2.7581 2.7590 3.0435 3.0477 3.0825 3.0873 3.4779 3.4782 3.7623 3.7628 4.1666 4.1697 4.1865 4.1894 4.4950 4.4958 4.7192 4.7196 5.2417 5.2419 5.5996 5.5997 11.9165 11.9168 12.9878 12.9887 13.2154 13.2157 13.5886 13.5893 14.2912 14.2924 14.9186 14.9192 k = 0.5000 0.5871 0.3911 ( 4524 PWs) bands (ev): -14.2256 -14.2256 -14.1225 -14.1225 -13.4217 -13.4217 -12.6893 -12.6893 -12.6032 -12.6032 -12.5534 -12.5534 -12.4244 -12.4244 -12.2797 -12.2797 -2.6448 -2.6448 -2.3103 -2.3103 -1.7698 -1.7698 -1.6609 -1.6609 -0.2330 -0.2330 -0.0207 -0.0207 0.3783 0.3783 0.5186 0.5186 0.8847 0.8847 1.0571 1.0571 1.4482 1.4482 1.5685 1.5685 2.6124 2.6124 2.7581 2.7581 3.0605 3.0605 3.0694 3.0694 3.4779 3.4779 3.7628 3.7628 4.1729 4.1729 4.1822 4.1822 4.4961 4.4961 4.7189 4.7189 5.2415 5.2415 5.5999 5.5999 11.9176 11.9176 12.9962 12.9962 13.2160 13.2160 13.5845 13.5845 14.2945 14.2945 14.9183 14.9183 k = 0.5000 0.5871 0.3911 ( 4524 PWs) bands (ev): -14.2256 -14.2256 -14.1225 -14.1225 -13.4217 -13.4217 -12.6893 -12.6893 -12.6032 -12.6032 -12.5534 -12.5534 -12.4244 -12.4244 -12.2797 -12.2797 -2.6448 -2.6448 -2.3103 -2.3103 -1.7698 -1.7698 -1.6609 -1.6609 -0.2330 -0.2330 -0.0207 -0.0207 0.3783 0.3783 0.5186 0.5186 0.8847 0.8847 1.0571 1.0571 1.4482 1.4482 1.5685 1.5685 2.6124 2.6124 2.7581 2.7581 3.0605 3.0605 3.0694 3.0694 3.4779 3.4779 3.7628 3.7628 4.1729 4.1729 4.1822 4.1822 4.4961 4.4961 4.7189 4.7189 5.2415 5.2415 5.5999 5.5999 11.9176 11.9176 12.9962 12.9962 13.2160 13.2160 13.5845 13.5845 14.2945 14.2945 14.9183 14.9183 k = 0.5000 0.5968 0.3766 ( 4524 PWs) bands (ev): -14.2252 -14.2252 -14.1219 -14.1219 -13.4230 -13.4230 -12.6996 -12.6988 -12.5952 -12.5948 -12.5545 -12.5545 -12.4234 -12.4231 -12.2776 -12.2776 -2.6436 -2.6434 -2.3117 -2.3116 -1.7693 -1.7692 -1.6595 -1.6594 -0.2344 -0.2344 -0.0219 -0.0217 0.3785 0.3788 0.5195 0.5199 0.8860 0.8863 1.0534 1.0535 1.4484 1.4485 1.5708 1.5709 2.6117 2.6120 2.7560 2.7567 3.0607 3.0613 3.0685 3.0694 3.4777 3.4778 3.7618 3.7619 4.1704 4.1711 4.1807 4.1813 4.4956 4.4961 4.7186 4.7190 5.2448 5.2449 5.6004 5.6005 11.9211 11.9217 12.9933 12.9936 13.2195 13.2196 13.5851 13.5853 14.2956 14.2956 14.9101 14.9106 k = 0.5000 0.6064 0.3620 ( 4528 PWs) bands (ev): -14.2238 -14.2238 -14.1201 -14.1201 -13.4270 -13.4270 -12.7226 -12.7216 -12.5773 -12.5769 -12.5579 -12.5578 -12.4199 -12.4193 -12.2716 -12.2716 -2.6398 -2.6394 -2.3157 -2.3156 -1.7676 -1.7675 -1.6551 -1.6548 -0.2387 -0.2385 -0.0255 -0.0250 0.3796 0.3802 0.5223 0.5231 0.8902 0.8908 1.0427 1.0430 1.4490 1.4492 1.5776 1.5777 2.6099 2.6105 2.7506 2.7520 3.0617 3.0628 3.0668 3.0684 3.4773 3.4775 3.7588 3.7589 4.1636 4.1651 4.1769 4.1782 4.4947 4.4957 4.7181 4.7189 5.2549 5.2551 5.6019 5.6021 11.9322 11.9334 12.9855 12.9861 13.2296 13.2297 13.5871 13.5876 14.2989 14.2989 14.8929 14.8934 k = 0.5000 0.6161 0.3475 ( 4530 PWs) bands (ev): -14.2216 -14.2216 -14.1172 -14.1171 -13.4335 -13.4335 -12.7511 -12.7500 -12.5634 -12.5631 -12.5573 -12.5567 -12.4137 -12.4128 -12.2620 -12.2620 -2.6335 -2.6329 -2.3223 -2.3221 -1.7648 -1.7647 -1.6478 -1.6475 -0.2456 -0.2454 -0.0313 -0.0306 0.3813 0.3822 0.5268 0.5280 0.8972 0.8982 1.0262 1.0266 1.4501 1.4504 1.5881 1.5884 2.6071 2.6079 2.7419 2.7439 3.0616 3.0617 3.0675 3.0680 3.4766 3.4769 3.7537 3.7540 4.1531 4.1552 4.1708 4.1728 4.4935 4.4949 4.7174 4.7186 5.2712 5.2715 5.6045 5.6048 11.9510 11.9528 12.9739 12.9748 13.2452 13.2453 13.5906 13.5913 14.3044 14.3044 14.8716 14.8722 k = 0.5000 0.6258 0.3330 ( 4530 PWs) bands (ev): -14.2184 -14.2184 -14.1131 -14.1130 -13.4425 -13.4425 -12.7822 -12.7810 -12.5696 -12.5695 -12.5385 -12.5384 -12.4047 -12.4034 -12.2494 -12.2494 -2.6248 -2.6240 -2.3311 -2.3308 -1.7609 -1.7608 -1.6380 -1.6376 -0.2551 -0.2548 -0.0395 -0.0386 0.3836 0.3847 0.5325 0.5341 0.9071 0.9083 1.0053 1.0058 1.4518 1.4522 1.6017 1.6021 2.6032 2.6044 2.7304 2.7329 3.0562 3.0576 3.0706 3.0714 3.4756 3.4760 3.7467 3.7471 4.1395 4.1422 4.1626 4.1652 4.4924 4.4940 4.7167 4.7181 5.2930 5.2933 5.6080 5.6084 11.9772 11.9795 12.9598 12.9609 13.2649 13.2650 13.5954 13.5964 14.3120 14.3121 14.8478 14.8484 k = 0.5000 0.6355 0.3184 ( 4536 PWs) bands (ev): -14.2145 -14.2145 -14.1079 -14.1078 -13.4539 -13.4539 -12.8146 -12.8134 -12.5769 -12.5768 -12.5224 -12.5221 -12.3925 -12.3909 -12.2344 -12.2344 -2.6135 -2.6125 -2.3419 -2.3416 -1.7559 -1.7557 -1.6260 -1.6255 -0.2668 -0.2666 -0.0503 -0.0491 0.3861 0.3874 0.5387 0.5407 0.9197 0.9211 0.9820 0.9828 1.4541 1.4546 1.6173 1.6178 2.5985 2.5998 2.7162 2.7192 3.0479 3.0499 3.0752 3.0767 3.4745 3.4748 3.7377 3.7381 4.1238 4.1269 4.1524 4.1556 4.4913 4.4931 4.7158 4.7175 5.3195 5.3199 5.6123 5.6128 12.0107 12.0136 12.9442 12.9455 13.2878 13.2878 13.6014 13.6026 14.3218 14.3218 14.8219 14.8225 k = 0.5000 0.6452 0.3039 ( 4540 PWs) bands (ev): -14.2097 -14.2097 -14.1015 -14.1015 -13.4676 -13.4675 -12.8479 -12.8467 -12.5845 -12.5845 -12.5091 -12.5086 -12.3775 -12.3756 -12.2176 -12.2176 -2.5999 -2.5987 -2.3544 -2.3540 -1.7497 -1.7495 -1.6119 -1.6113 -0.2807 -0.2804 -0.0637 -0.0624 0.3887 0.3902 0.5442 0.5467 0.9348 0.9364 0.9587 0.9597 1.4573 1.4578 1.6343 1.6349 2.5929 2.5945 2.6998 2.7032 3.0362 3.0384 3.0810 3.0829 3.4731 3.4734 3.7266 3.7272 4.1070 4.1103 4.1404 4.1441 4.4904 4.4923 4.7150 4.7169 5.3499 5.3503 5.6173 5.6179 12.0513 12.0548 12.9278 12.9292 13.3129 13.3130 13.6084 13.6098 14.3335 14.3336 14.7941 14.7948 k = 0.5000 0.6548 0.2894 ( 4546 PWs) bands (ev): -14.2041 -14.2041 -14.0941 -14.0940 -13.4833 -13.4833 -12.8817 -12.8805 -12.5921 -12.5921 -12.4982 -12.4975 -12.3602 -12.3580 -12.1995 -12.1995 -2.5839 -2.5826 -2.3682 -2.3677 -1.7423 -1.7421 -1.5962 -1.5956 -0.2965 -0.2961 -0.0799 -0.0785 0.3911 0.3928 0.5474 0.5503 0.9376 0.9387 0.9528 0.9547 1.4614 1.4619 1.6520 1.6527 2.5866 2.5883 2.6814 2.6852 3.0204 3.0228 3.0877 3.0899 3.4717 3.4718 3.7135 3.7141 4.0900 4.0935 4.1267 4.1309 4.4898 4.4917 4.7141 4.7163 5.3832 5.3836 5.6229 5.6236 12.0989 12.1029 12.9110 12.9126 13.3398 13.3400 13.6163 13.6179 14.3472 14.3473 14.7646 14.7653 k = 0.5000 0.6645 0.2749 ( 4550 PWs) bands (ev): -14.1979 -14.1979 -14.0857 -14.0856 -13.5010 -13.5009 -12.9157 -12.9146 -12.5995 -12.5995 -12.4893 -12.4884 -12.3414 -12.3391 -12.1805 -12.1805 -2.5657 -2.5642 -2.3829 -2.3824 -1.7338 -1.7336 -1.5792 -1.5786 -0.3138 -0.3134 -0.0992 -0.0977 0.3930 0.3949 0.5464 0.5495 0.9225 0.9238 0.9724 0.9743 1.4668 1.4672 1.6699 1.6708 2.5796 2.5816 2.6615 2.6655 2.9999 3.0023 3.0952 3.0977 3.4702 3.4702 3.6982 3.6990 4.0738 4.0774 4.1116 4.1162 4.4895 4.4913 4.7133 4.7156 5.4188 5.4192 5.6290 5.6297 12.1531 12.1576 12.8942 12.8959 13.3682 13.3685 13.6248 13.6265 14.3627 14.3629 14.7335 14.7341 k = 0.5000 0.6742 0.2603 ( 4554 PWs) bands (ev): -14.1910 -14.1910 -14.0762 -14.0761 -13.5204 -13.5203 -12.9498 -12.9486 -12.6064 -12.6064 -12.4817 -12.4806 -12.3218 -12.3194 -12.1610 -12.1609 -2.5454 -2.5438 -2.3984 -2.3979 -1.7241 -1.7239 -1.5612 -1.5605 -0.3325 -0.3320 -0.1217 -0.1202 0.3944 0.3964 0.5393 0.5426 0.9156 0.9170 0.9940 0.9959 1.4736 1.4739 1.6877 1.6887 2.5721 2.5742 2.6402 2.6445 2.9742 2.9765 3.1034 3.1062 3.4686 3.4689 3.6810 3.6819 4.0592 4.0627 4.0954 4.1003 4.4894 4.4911 4.7126 4.7150 5.4559 5.4564 5.6353 5.6361 12.2137 12.2187 12.8775 12.8794 13.3976 13.3980 13.6335 13.6355 14.3799 14.3802 14.7009 14.7015 k = 0.5000 0.6839 0.2458 ( 4556 PWs) bands (ev): -14.1835 -14.1835 -14.0659 -14.0658 -13.5412 -13.5411 -12.9836 -12.9825 -12.6127 -12.6126 -12.4749 -12.4738 -12.3020 -12.2995 -12.1412 -12.1412 -2.5231 -2.5214 -2.4143 -2.4138 -1.7131 -1.7129 -1.5425 -1.5418 -0.3522 -0.3517 -0.1476 -0.1462 0.3949 0.3970 0.5253 0.5286 0.9188 0.9201 1.0171 1.0190 1.4822 1.4824 1.7052 1.7063 2.5642 2.5665 2.6179 2.6225 2.9430 2.9451 3.1122 3.1151 3.4673 3.4679 3.6617 3.6627 4.0465 4.0500 4.0782 4.0834 4.4894 4.4910 4.7120 4.7144 5.4940 5.4944 5.6417 5.6426 12.2803 12.2858 12.8612 12.8632 13.4280 13.4285 13.6423 13.6444 14.3986 14.3990 14.6669 14.6675 k = 0.5000 0.6936 0.2313 ( 4558 PWs) bands (ev): -14.1755 -14.1755 -14.0548 -14.0547 -13.5632 -13.5631 -13.0171 -13.0161 -12.6183 -12.6182 -12.4687 -12.4675 -12.2824 -12.2798 -12.1216 -12.1215 -2.4990 -2.4972 -2.4303 -2.4298 -1.7009 -1.7007 -1.5234 -1.5226 -0.3728 -0.3723 -0.1772 -0.1760 0.3944 0.3965 0.5048 0.5078 0.9323 0.9334 1.0413 1.0431 1.4928 1.4928 1.7221 1.7234 2.5559 2.5583 2.5948 2.5997 2.9062 2.9081 3.1214 3.1245 3.4663 3.4671 3.6403 3.6416 4.0363 4.0394 4.0604 4.0657 4.4896 4.4909 4.7113 4.7137 5.5326 5.5329 5.6482 5.6491 12.3526 12.3585 12.8452 12.8473 13.4591 13.4597 13.6506 13.6528 14.4187 14.4193 14.6316 14.6322 k = 0.5000 0.7032 0.2167 ( 4550 PWs) bands (ev): -14.1672 -14.1672 -14.0431 -14.0429 -13.5861 -13.5860 -13.0500 -13.0491 -12.6232 -12.6231 -12.4628 -12.4616 -12.2632 -12.2606 -12.1021 -12.1020 -2.4734 -2.4715 -2.4464 -2.4459 -1.6874 -1.6872 -1.5040 -1.5033 -0.3941 -0.3935 -0.2107 -0.2096 0.3928 0.3950 0.4791 0.4819 0.9552 0.9560 1.0662 1.0677 1.5057 1.5059 1.7383 1.7399 2.5471 2.5499 2.5711 2.5765 2.8641 2.8658 3.1310 3.1342 3.4656 3.4667 3.6172 3.6185 4.0284 4.0310 4.0425 4.0475 4.4897 4.4910 4.7107 4.7131 5.5711 5.5713 5.6545 5.6555 12.4303 12.4366 12.8297 12.8319 13.4908 13.4915 13.6581 13.6603 14.4399 14.4407 14.5952 14.5957 k = 0.5000 0.7129 0.2022 ( 4550 PWs) bands (ev): -14.1586 -14.1586 -14.0309 -14.0307 -13.6095 -13.6093 -13.0822 -13.0813 -12.6274 -12.6273 -12.4571 -12.4558 -12.2448 -12.2422 -12.0832 -12.0831 -2.4622 -2.4617 -2.4463 -2.4444 -1.6726 -1.6724 -1.4847 -1.4840 -0.4156 -0.4150 -0.2480 -0.2472 0.3900 0.3922 0.4504 0.4528 0.9860 0.9866 1.0912 1.0925 1.5211 1.5217 1.7538 1.7555 2.5373 2.5409 2.5473 2.5536 2.8172 2.8188 3.1408 3.1440 3.4652 3.4665 3.5922 3.5937 4.0214 4.0229 4.0280 4.0291 4.4898 4.4909 4.7100 4.7123 5.6092 5.6093 5.6607 5.6617 12.5128 12.5195 12.8146 12.8169 13.5230 13.5238 13.6641 13.6664 14.4621 14.4630 14.5580 14.5584 k = 0.5000 0.7129 0.2022 ( 4550 PWs) bands (ev): -14.1586 -14.1586 -14.0309 -14.0307 -13.6095 -13.6093 -13.0822 -13.0813 -12.6274 -12.6273 -12.4571 -12.4558 -12.2448 -12.2422 -12.0832 -12.0831 -2.4622 -2.4617 -2.4463 -2.4444 -1.6726 -1.6724 -1.4847 -1.4840 -0.4156 -0.4150 -0.2480 -0.2472 0.3900 0.3922 0.4504 0.4528 0.9860 0.9866 1.0912 1.0925 1.5211 1.5217 1.7538 1.7555 2.5373 2.5409 2.5473 2.5536 2.8172 2.8188 3.1408 3.1440 3.4652 3.4665 3.5922 3.5937 4.0214 4.0229 4.0280 4.0291 4.4898 4.4909 4.7100 4.7123 5.6092 5.6093 5.6607 5.6617 12.5128 12.5195 12.8146 12.8169 13.5230 13.5238 13.6641 13.6664 14.4621 14.4630 14.5580 14.5584 k = 0.5000 0.7077 0.1859 ( 4542 PWs) bands (ev): -14.1534 -14.1534 -14.0189 -14.0187 -13.6260 -13.6258 -13.0991 -13.0982 -12.6323 -12.6322 -12.4540 -12.4527 -12.2361 -12.2335 -12.0729 -12.0728 -2.4571 -2.4566 -2.4297 -2.4278 -1.6650 -1.6649 -1.4953 -1.4946 -0.4192 -0.4186 -0.2759 -0.2752 0.3954 0.3975 0.4392 0.4414 1.0087 1.0090 1.1049 1.1059 1.5303 1.5310 1.7573 1.7592 2.5298 2.5333 2.5395 2.5459 2.7902 2.7916 3.1344 3.1375 3.4688 3.4702 3.5746 3.5763 4.0103 4.0124 4.0247 4.0298 4.4863 4.4873 4.7089 4.7111 5.6341 5.6341 5.6639 5.6649 12.5636 12.5705 12.8049 12.8074 13.5471 13.5480 13.6685 13.6707 14.4724 14.4740 14.5494 14.5497 k = 0.5000 0.7024 0.1696 ( 4534 PWs) bands (ev): -14.1485 -14.1485 -14.0077 -14.0074 -13.6414 -13.6411 -13.1154 -13.1145 -12.6370 -12.6369 -12.4504 -12.4491 -12.2278 -12.2252 -12.0630 -12.0629 -2.4511 -2.4507 -2.4129 -2.4109 -1.6571 -1.6569 -1.5074 -1.5068 -0.4222 -0.4215 -0.3055 -0.3050 0.3996 0.4016 0.4276 0.4296 1.0330 1.0330 1.1197 1.1204 1.5406 1.5414 1.7605 1.7625 2.5222 2.5256 2.5321 2.5384 2.7625 2.7638 3.1275 3.1304 3.4720 3.4733 3.5562 3.5580 3.9980 4.0003 4.0260 4.0314 4.4832 4.4841 4.7071 4.7091 5.6581 5.6583 5.6672 5.6681 12.6145 12.6216 12.7963 12.7990 13.5722 13.5731 13.6731 13.6753 14.4784 14.4806 14.5402 14.5404 k = 0.5000 0.6972 0.1533 ( 4536 PWs) bands (ev): -14.1440 -14.1440 -13.9973 -13.9971 -13.6557 -13.6554 -13.1312 -13.1304 -12.6415 -12.6413 -12.4464 -12.4450 -12.2200 -12.2175 -12.0535 -12.0533 -2.4445 -2.4440 -2.3958 -2.3938 -1.6486 -1.6485 -1.5212 -1.5207 -0.4245 -0.4238 -0.3368 -0.3364 0.4026 0.4043 0.4160 0.4180 1.0585 1.0587 1.1356 1.1361 1.5519 1.5528 1.7636 1.7658 2.5145 2.5177 2.5251 2.5314 2.7342 2.7353 3.1202 3.1229 3.4744 3.4757 3.5371 3.5390 3.9863 3.9884 4.0286 4.0340 4.4805 4.4812 4.7044 4.7063 5.6689 5.6701 5.6830 5.6830 12.6652 12.6725 12.7889 12.7918 13.5982 13.5991 13.6782 13.6802 14.4803 14.4830 14.5303 14.5304 k = 0.5000 0.6919 0.1370 ( 4534 PWs) bands (ev): -14.1398 -14.1398 -13.9880 -13.9877 -13.6687 -13.6684 -13.1464 -13.1456 -12.6456 -12.6455 -12.4420 -12.4406 -12.2128 -12.2102 -12.0444 -12.0443 -2.4369 -2.4365 -2.3785 -2.3765 -1.6396 -1.6396 -1.5365 -1.5361 -0.4260 -0.4254 -0.3696 -0.3693 0.4035 0.4039 0.4050 0.4086 1.0852 1.0855 1.1525 1.1528 1.5640 1.5651 1.7667 1.7691 2.5067 2.5097 2.5185 2.5247 2.7053 2.7064 3.1126 3.1151 3.4759 3.4772 3.5175 3.5194 3.9753 3.9772 4.0322 4.0375 4.4780 4.4786 4.7008 4.7026 5.6716 5.6727 5.7061 5.7061 12.7155 12.7231 12.7825 12.7856 13.6252 13.6262 13.6835 13.6854 14.4787 14.4819 14.5199 14.5199 k = 0.5000 0.6867 0.1207 ( 4534 PWs) bands (ev): -14.1360 -14.1360 -13.9799 -13.9795 -13.6804 -13.6800 -13.1611 -13.1603 -12.6495 -12.6493 -12.4372 -12.4358 -12.2060 -12.2035 -12.0357 -12.0356 -2.4286 -2.4282 -2.3610 -2.3591 -1.6301 -1.6301 -1.5533 -1.5529 -0.4269 -0.4263 -0.4037 -0.4035 0.3926 0.3933 0.4054 0.4077 1.1128 1.1133 1.1704 1.1704 1.5767 1.5779 1.7700 1.7726 2.4988 2.5016 2.5121 2.5182 2.6762 2.6772 3.1048 3.1070 3.4762 3.4771 3.4978 3.4995 3.9653 3.9669 4.0367 4.0419 4.4759 4.4763 4.6964 4.6981 5.6739 5.6750 5.7286 5.7287 12.7645 12.7732 12.7773 12.7816 13.6534 13.6543 13.6891 13.6908 14.4742 14.4777 14.5092 14.5093 k = 0.5000 0.6815 0.1044 ( 4536 PWs) bands (ev): -14.1325 -14.1324 -13.9729 -13.9725 -13.6907 -13.6903 -13.1751 -13.1744 -12.6530 -12.6529 -12.4321 -12.4306 -12.1998 -12.1973 -12.0275 -12.0274 -2.4195 -2.4191 -2.3435 -2.3416 -1.6202 -1.6201 -1.5715 -1.5712 -0.4393 -0.4390 -0.4269 -0.4260 0.3812 0.3819 0.4051 0.4072 1.1411 1.1418 1.1890 1.1893 1.5900 1.5913 1.7736 1.7764 2.4907 2.4933 2.5058 2.5119 2.6469 2.6480 3.0969 3.0989 3.4714 3.4732 3.4812 3.4820 3.9564 3.9578 4.0421 4.0471 4.4739 4.4742 4.6911 4.6927 5.6759 5.6771 5.7504 5.7505 12.7726 12.7750 12.8164 12.8232 13.6823 13.6830 13.6954 13.6965 14.4675 14.4713 14.4983 14.4985 k = 0.5000 0.6762 0.0881 ( 4528 PWs) bands (ev): -14.1292 -14.1292 -13.9671 -13.9668 -13.6995 -13.6991 -13.1884 -13.1878 -12.6563 -12.6562 -12.4266 -12.4251 -12.1942 -12.1917 -12.0197 -12.0196 -2.4095 -2.4091 -2.3260 -2.3241 -1.6097 -1.6096 -1.5910 -1.5907 -0.4755 -0.4752 -0.4263 -0.4255 0.3699 0.3705 0.4038 0.4057 1.1700 1.1709 1.2084 1.2089 1.6036 1.6051 1.7776 1.7806 2.4824 2.4848 2.4991 2.5053 2.6181 2.6193 3.0890 3.0908 3.4532 3.4562 3.4753 3.4772 3.9487 3.9498 4.0483 4.0531 4.4722 4.4723 4.6849 4.6864 5.6778 5.6790 5.7714 5.7715 12.7691 12.7719 12.8651 12.8723 13.6992 13.7008 13.7138 13.7150 14.4591 14.4632 14.4875 14.4877 k = 0.5000 0.6710 0.0718 ( 4534 PWs) bands (ev): -14.1263 -14.1263 -13.9627 -13.9623 -13.7069 -13.7064 -13.2012 -13.2005 -12.6593 -12.6591 -12.4209 -12.4194 -12.1890 -12.1866 -12.0124 -12.0122 -2.3986 -2.3983 -2.3085 -2.3067 -1.6119 -1.6116 -1.5984 -1.5982 -0.5126 -0.5121 -0.4249 -0.4243 0.3589 0.3594 0.4017 0.4034 1.1993 1.2003 1.2285 1.2292 1.6175 1.6190 1.7821 1.7852 2.4739 2.4761 2.4914 2.4977 2.5905 2.5919 3.0813 3.0829 3.4325 3.4355 3.4717 3.4735 3.9423 3.9432 4.0552 4.0599 4.4706 4.4706 4.6779 4.6793 5.6795 5.6807 5.7914 5.7915 12.7665 12.7694 12.9132 12.9205 13.7051 13.7063 13.7448 13.7459 14.4497 14.4540 14.4770 14.4772 k = 0.5000 0.6657 0.0555 ( 4546 PWs) bands (ev): -14.1237 -14.1237 -13.9596 -13.9592 -13.7127 -13.7123 -13.2132 -13.2126 -12.6620 -12.6619 -12.4150 -12.4135 -12.1845 -12.1821 -12.0055 -12.0053 -2.3870 -2.3867 -2.2913 -2.2895 -1.6336 -1.6333 -1.5869 -1.5866 -0.5502 -0.5496 -0.4230 -0.4224 0.3482 0.3485 0.3987 0.4003 1.2288 1.2299 1.2491 1.2499 1.6314 1.6330 1.7871 1.7903 2.4653 2.4672 2.4815 2.4878 2.5654 2.5670 3.0737 3.0751 3.4116 3.4146 3.4670 3.4687 3.9373 3.9379 4.0628 4.0672 4.4689 4.4690 4.6701 4.6713 5.6811 5.6822 5.8104 5.8106 12.7646 12.7675 12.9605 12.9679 13.7103 13.7111 13.7770 13.7781 14.4397 14.4441 14.4668 14.4671 k = 0.5000 0.6605 0.0393 ( 4548 PWs) bands (ev): -14.1213 -14.1213 -13.9577 -13.9573 -13.7171 -13.7167 -13.2245 -13.2240 -12.6645 -12.6643 -12.4089 -12.4075 -12.1804 -12.1781 -11.9990 -11.9989 -2.3746 -2.3743 -2.2743 -2.2726 -1.6562 -1.6560 -1.5746 -1.5743 -0.5882 -0.5875 -0.4205 -0.4199 0.3378 0.3380 0.3951 0.3966 1.2582 1.2595 1.2700 1.2710 1.6453 1.6470 1.7926 1.7960 2.4566 2.4579 2.4680 2.4737 2.5449 2.5464 3.0664 3.0675 3.3908 3.3938 3.4612 3.4628 3.9336 3.9341 4.0709 4.0752 4.4674 4.4676 4.6615 4.6627 5.6825 5.6836 5.8284 5.8286 12.7633 12.7663 13.0067 13.0141 13.7149 13.7153 13.8101 13.8111 14.4295 14.4339 14.4573 14.4576 k = 0.5000 0.6552 0.0230 ( 4550 PWs) bands (ev): -14.1192 -14.1192 -13.9569 -13.9565 -13.7203 -13.7198 -13.2352 -13.2346 -12.6666 -12.6665 -12.4028 -12.4014 -12.1769 -12.1747 -11.9931 -11.9929 -2.3614 -2.3611 -2.2577 -2.2561 -1.6796 -1.6794 -1.5618 -1.5614 -0.6263 -0.6254 -0.4175 -0.4169 0.3277 0.3278 0.3908 0.3922 1.2871 1.2884 1.2915 1.2929 1.6589 1.6607 1.7986 1.8022 2.4451 2.4471 2.4529 2.4548 2.5304 2.5313 3.0594 3.0603 3.3703 3.3735 3.4542 3.4558 3.9312 3.9315 4.0796 4.0836 4.4659 4.4662 4.6523 4.6533 5.6838 5.6848 5.8453 5.8455 12.7628 12.7657 13.0517 13.0591 13.7187 13.7188 13.8439 13.8449 14.4195 14.4239 14.4485 14.4488 k = 0.5000 0.6500 0.0067 ( 4550 PWs) bands (ev): -14.1174 -14.1173 -13.9571 -13.9567 -13.7222 -13.7218 -13.2451 -13.2446 -12.6686 -12.6684 -12.3967 -12.3953 -12.1738 -12.1717 -11.9875 -11.9874 -2.3474 -2.3472 -2.2416 -2.2401 -1.7036 -1.7034 -1.5484 -1.5479 -0.6642 -0.6633 -0.4141 -0.4136 0.3180 0.3180 0.3862 0.3875 1.3110 1.3122 1.3177 1.3193 1.6722 1.6740 1.8052 1.8089 2.4233 2.4284 2.4405 2.4424 2.5209 2.5212 3.0528 3.0533 3.3505 3.3537 3.4464 3.4479 3.9299 3.9301 4.0888 4.0925 4.4645 4.4649 4.6424 4.6433 5.6850 5.6860 5.8611 5.8613 12.7627 12.7656 13.0953 13.1027 13.7214 13.7217 13.8782 13.8790 14.4100 14.4143 14.4406 14.4409 k = 0.5000 0.6448-0.0096 ( 4548 PWs) bands (ev): -14.1157 -14.1157 -13.9581 -13.9577 -13.7232 -13.7228 -13.2542 -13.2538 -12.6703 -12.6701 -12.3906 -12.3892 -12.1712 -12.1692 -11.9824 -11.9823 -2.3328 -2.3326 -2.2261 -2.2247 -1.7279 -1.7278 -1.5345 -1.5339 -0.7017 -0.7007 -0.4104 -0.4099 0.3087 0.3087 0.3812 0.3824 1.3318 1.3331 1.3462 1.3478 1.6850 1.6868 1.8122 1.8160 2.3974 2.4021 2.4316 2.4334 2.5143 2.5145 3.0464 3.0468 3.3315 3.3347 3.4379 3.4393 3.9297 3.9297 4.0983 4.1017 4.4632 4.4636 4.6320 4.6329 5.6861 5.6871 5.8758 5.8760 12.7631 12.7659 13.1375 13.1447 13.7228 13.7235 13.9126 13.9134 14.4013 14.4055 14.4336 14.4340 k = 0.5000 0.6395-0.0259 ( 4546 PWs) bands (ev): -14.1143 -14.1143 -13.9597 -13.9593 -13.7234 -13.7231 -13.2626 -13.2622 -12.6717 -12.6716 -12.3846 -12.3833 -12.1691 -12.1672 -11.9778 -11.9777 -2.3176 -2.3174 -2.2114 -2.2101 -1.7525 -1.7524 -1.5200 -1.5194 -0.7386 -0.7375 -0.4066 -0.4061 0.2998 0.2999 0.3761 0.3772 1.3519 1.3533 1.3741 1.3758 1.6972 1.6990 1.8196 1.8235 2.3703 2.3745 2.4231 2.4248 2.5094 2.5099 3.0405 3.0406 3.3135 3.3167 3.4289 3.4302 3.9302 3.9303 4.1080 4.1112 4.4619 4.4623 4.6213 4.6221 5.6871 5.6880 5.8893 5.8895 12.7639 12.7665 13.1779 13.1850 13.7231 13.7242 13.9470 13.9476 14.3938 14.3977 14.4277 14.4281 k = 0.5000 0.6343-0.0422 ( 4546 PWs) bands (ev): -14.1131 -14.1131 -13.9617 -13.9614 -13.7231 -13.7227 -13.2702 -13.2699 -12.6730 -12.6729 -12.3788 -12.3776 -12.1673 -12.1656 -11.9736 -11.9735 -2.3019 -2.3017 -2.1975 -2.1964 -1.7770 -1.7769 -1.5051 -1.5044 -0.7744 -0.7733 -0.4026 -0.4022 0.2916 0.2917 0.3710 0.3719 1.3711 1.3725 1.4012 1.4029 1.7087 1.7104 1.8272 1.8312 2.3430 2.3469 2.4150 2.4165 2.5056 2.5063 3.0348 3.0349 3.2968 3.2998 3.4197 3.4209 3.9314 3.9316 4.1178 4.1207 4.4606 4.4611 4.6104 4.6111 5.6880 5.6888 5.9016 5.9017 12.7649 12.7673 13.2164 13.2233 13.7221 13.7236 13.9807 13.9813 14.3877 14.3913 14.4228 14.4232 k = 0.5000 0.6290-0.0585 ( 4542 PWs) bands (ev): -14.1120 -14.1120 -13.9639 -13.9637 -13.7223 -13.7220 -13.2771 -13.2768 -12.6741 -12.6740 -12.3734 -12.3722 -12.1659 -12.1643 -11.9699 -11.9698 -2.2859 -2.2857 -2.1847 -2.1837 -1.8012 -1.8011 -1.4900 -1.4892 -0.8089 -0.8077 -0.3987 -0.3983 0.2840 0.2842 0.3659 0.3668 1.3893 1.3907 1.4271 1.4288 1.7192 1.7209 1.8349 1.8389 2.3162 2.3198 2.4074 2.4087 2.5026 2.5033 3.0295 3.0297 3.2814 3.2843 3.4107 3.4118 3.9330 3.9333 4.1276 4.1302 4.4594 4.4599 4.5996 4.6002 5.6888 5.6896 5.9126 5.9128 12.7661 12.7684 13.2529 13.2595 13.7197 13.7216 14.0134 14.0138 14.3835 14.3867 14.4190 14.4194 k = 0.5000 0.6238-0.0748 ( 4540 PWs) bands (ev): -14.1111 -14.1111 -13.9663 -13.9660 -13.7212 -13.7210 -13.2832 -13.2829 -12.6750 -12.6749 -12.3683 -12.3672 -12.1649 -12.1634 -11.9666 -11.9665 -2.2698 -2.2696 -2.1731 -2.1722 -1.8248 -1.8248 -1.4748 -1.4740 -0.8417 -0.8405 -0.3950 -0.3946 0.2771 0.2773 0.3611 0.3619 1.4062 1.4075 1.4515 1.4531 1.7289 1.7305 1.8426 1.8465 2.2906 2.2940 2.4002 2.4014 2.5000 2.5008 3.0245 3.0249 3.2675 3.2703 3.4020 3.4030 3.9350 3.9353 4.1371 4.1394 4.4583 4.4587 4.5890 4.5895 5.6896 5.6903 5.9224 5.9225 12.7674 12.7695 13.2870 13.2933 13.7162 13.7183 14.0444 14.0446 14.3815 14.3843 14.4161 14.4165 k = 0.5000 0.6185-0.0911 ( 4542 PWs) bands (ev): -14.1104 -14.1104 -13.9686 -13.9683 -13.7201 -13.7199 -13.2884 -13.2882 -12.6757 -12.6756 -12.3637 -12.3627 -12.1640 -12.1627 -11.9638 -11.9637 -2.2538 -2.2537 -2.1627 -2.1619 -1.8475 -1.8474 -1.4598 -1.4590 -0.8722 -0.8711 -0.3915 -0.3912 0.2710 0.2712 0.3567 0.3573 1.4215 1.4227 1.4739 1.4755 1.7374 1.7389 1.8500 1.8538 2.2667 2.2698 2.3937 2.3947 2.4978 2.4986 3.0201 3.0205 3.2554 3.2579 3.3939 3.3948 3.9371 3.9374 4.1461 4.1482 4.4572 4.4576 4.5789 4.5794 5.6903 5.6909 5.9309 5.9310 12.7688 12.7706 13.3184 13.3244 13.7115 13.7138 14.0729 14.0730 14.3821 14.3845 14.4141 14.4143 k = 0.5000 0.6133-0.1074 ( 4540 PWs) bands (ev): -14.1098 -14.1098 -13.9707 -13.9705 -13.7189 -13.7187 -13.2929 -13.2927 -12.6763 -12.6762 -12.3596 -12.3588 -12.1634 -12.1623 -11.9614 -11.9613 -2.2384 -2.2383 -2.1537 -2.1531 -1.8687 -1.8687 -1.4455 -1.4447 -0.9000 -0.8990 -0.3883 -0.3880 0.2657 0.2659 0.3527 0.3532 1.4350 1.4361 1.4941 1.4956 1.7448 1.7461 1.8570 1.8606 2.2450 2.2478 2.3880 2.3888 2.4960 2.4966 3.0162 3.0167 3.2450 3.2473 3.3867 3.3874 3.9392 3.9395 4.1545 4.1562 4.4563 4.4566 4.5696 4.5700 5.6909 5.6914 5.9381 5.9382 12.7701 12.7716 13.3469 13.3522 13.7060 13.7083 14.0980 14.0981 14.3856 14.3876 14.4129 14.4129 k = 0.5000 0.6081-0.1237 ( 4544 PWs) bands (ev): -14.1093 -14.1093 -13.9725 -13.9724 -13.7179 -13.7177 -13.2966 -13.2964 -12.6768 -12.6767 -12.3561 -12.3554 -12.1630 -12.1621 -11.9594 -11.9594 -2.2240 -2.2239 -2.1462 -2.1457 -1.8879 -1.8879 -1.4323 -1.4316 -0.9243 -0.9234 -0.3855 -0.3853 0.2613 0.2614 0.3493 0.3497 1.4465 1.4474 1.5116 1.5129 1.7510 1.7521 1.8634 1.8665 2.2261 2.2286 2.3831 2.3838 2.4944 2.4950 3.0129 3.0134 3.2365 3.2384 3.3805 3.3811 3.9411 3.9414 4.1619 4.1633 4.4555 4.4558 4.5614 4.5617 5.6913 5.6917 5.9440 5.9441 12.7713 12.7725 13.3718 13.3765 13.7001 13.7024 14.1189 14.1192 14.3916 14.3935 14.4121 14.4125 k = 0.5000 0.6028-0.1400 ( 4542 PWs) bands (ev): -14.1089 -14.1089 -13.9740 -13.9739 -13.7170 -13.7169 -13.2994 -13.2993 -12.6771 -12.6771 -12.3533 -12.3528 -12.1627 -12.1620 -11.9579 -11.9579 -2.2114 -2.2113 -2.1403 -2.1399 -1.9044 -1.9043 -1.4208 -1.4203 -0.9445 -0.9437 -0.3833 -0.3832 0.2578 0.2579 0.3466 0.3469 1.4556 1.4564 1.5259 1.5269 1.7559 1.7567 1.8688 1.8714 2.2107 2.2127 2.3792 2.3797 2.4932 2.4937 3.0103 3.0106 3.2299 3.2314 3.3755 3.3760 3.9428 3.9429 4.1680 4.1691 4.4548 4.4551 4.5546 4.5549 5.6917 5.6920 5.9486 5.9487 12.7723 12.7733 13.3926 13.3964 13.6945 13.6965 14.1353 14.1356 14.3993 14.4012 14.4121 14.4131 k = 0.5000 0.5976-0.1563 ( 4538 PWs) bands (ev): -14.1087 -14.1087 -13.9751 -13.9750 -13.7163 -13.7162 -13.3014 -13.3014 -12.6774 -12.6774 -12.3512 -12.3508 -12.1625 -12.1620 -11.9568 -11.9568 -2.2013 -2.2012 -2.1359 -2.1357 -1.9171 -1.9171 -1.4119 -1.4115 -0.9596 -0.9591 -0.3817 -0.3816 0.2553 0.2554 0.3446 0.3448 1.4624 1.4629 1.5365 1.5372 1.7595 1.7600 1.8732 1.8750 2.1992 2.2007 2.3764 2.3767 2.4924 2.4927 3.0083 3.0086 3.2253 3.2263 3.3719 3.3722 3.9440 3.9441 4.1727 4.1734 4.4544 4.4545 4.5496 4.5498 5.6920 5.6922 5.9519 5.9520 12.7731 12.7738 13.4085 13.4112 13.6898 13.6913 14.1469 14.1472 14.4054 14.4073 14.4147 14.4161 k = 0.5000 0.5923-0.1726 ( 4542 PWs) bands (ev): -14.1085 -14.1085 -13.9758 -13.9757 -13.7159 -13.7158 -13.3027 -13.3026 -12.6775 -12.6775 -12.3499 -12.3497 -12.1623 -12.1620 -11.9562 -11.9562 -2.1948 -2.1947 -2.1333 -2.1332 -1.9253 -1.9253 -1.4061 -1.4059 -0.9690 -0.9687 -0.3807 -0.3806 0.2538 0.2539 0.3434 0.3435 1.4666 1.4668 1.5431 1.5435 1.7617 1.7620 1.8761 1.8770 2.1923 2.1930 2.3747 2.3748 2.4919 2.4920 3.0072 3.0074 3.2226 3.2231 3.3697 3.3699 3.9448 3.9448 4.1757 4.1761 4.4541 4.4542 4.5464 4.5465 5.6922 5.6923 5.9539 5.9540 12.7737 12.7740 13.4187 13.4202 13.6868 13.6876 14.1538 14.1540 14.4079 14.4087 14.4204 14.4210 k = 0.5000 0.5871-0.1889 ( 4532 PWs) bands (ev): -14.1085 -14.1085 -13.9760 -13.9760 -13.7157 -13.7157 -13.3030 -13.3030 -12.6776 -12.6776 -12.3494 -12.3494 -12.1621 -12.1621 -11.9559 -11.9559 -2.1925 -2.1925 -2.1324 -2.1324 -1.9282 -1.9282 -1.4041 -1.4041 -0.9721 -0.9721 -0.3803 -0.3803 0.2533 0.2533 0.3431 0.3431 1.4681 1.4681 1.5455 1.5455 1.7625 1.7625 1.8774 1.8774 2.1902 2.1902 2.3742 2.3742 2.4918 2.4918 3.0069 3.0069 3.2219 3.2219 3.3691 3.3691 3.9451 3.9451 4.1768 4.1768 4.4541 4.4541 4.5454 4.5454 5.6923 5.6923 5.9546 5.9546 12.7740 12.7740 13.4228 13.4228 13.6860 13.6860 14.1561 14.1561 14.4086 14.4086 14.4232 14.4232 k = 0.5000 0.5871-0.1889 ( 4532 PWs) bands (ev): -14.1085 -14.1085 -13.9760 -13.9760 -13.7157 -13.7157 -13.3030 -13.3030 -12.6776 -12.6776 -12.3494 -12.3494 -12.1621 -12.1621 -11.9559 -11.9559 -2.1925 -2.1925 -2.1324 -2.1324 -1.9282 -1.9282 -1.4041 -1.4041 -0.9721 -0.9721 -0.3803 -0.3803 0.2533 0.2533 0.3431 0.3431 1.4681 1.4681 1.5455 1.5455 1.7625 1.7625 1.8774 1.8774 2.1902 2.1902 2.3742 2.3742 2.4918 2.4918 3.0069 3.0069 3.2219 3.2219 3.3691 3.3691 3.9451 3.9451 4.1768 4.1768 4.4541 4.4541 4.5454 4.5454 5.6923 5.6923 5.9546 5.9546 12.7740 12.7740 13.4228 13.4228 13.6860 13.6860 14.1561 14.1561 14.4086 14.4086 14.4232 14.4232 k = 0.4828 0.5871-0.1889 ( 4540 PWs) bands (ev): -14.1160 -14.1158 -13.9682 -13.9680 -13.7174 -13.7173 -13.3006 -13.3006 -12.6778 -12.6778 -12.3497 -12.3496 -12.1623 -12.1622 -11.9563 -11.9562 -2.2329 -2.2307 -2.0990 -2.0973 -1.9296 -1.9289 -1.4017 -1.4015 -0.9693 -0.9691 -0.3786 -0.3785 0.2479 0.2493 0.3478 0.3496 1.4673 1.4679 1.5445 1.5447 1.7623 1.7631 1.8770 1.8775 2.1877 2.1888 2.3623 2.3660 2.5002 2.5037 3.0078 3.0085 3.2164 3.2197 3.3723 3.3763 3.9428 3.9434 4.1782 4.1792 4.4538 4.4539 4.5470 4.5474 5.6907 5.6915 5.9551 5.9557 12.7682 12.7688 13.4211 13.4214 13.6833 13.6840 14.1528 14.1553 14.4025 14.4084 14.4225 14.4261 k = 0.4655 0.5871-0.1889 ( 4546 PWs) bands (ev): -14.1345 -14.1341 -13.9484 -13.9480 -13.7223 -13.7222 -13.2935 -13.2934 -12.6786 -12.6785 -12.3506 -12.3505 -12.1627 -12.1625 -11.9572 -11.9572 -2.2946 -2.2922 -2.0565 -2.0550 -1.9290 -1.9276 -1.3946 -1.3941 -0.9608 -0.9605 -0.3733 -0.3732 0.2358 0.2380 0.3617 0.3646 1.4658 1.4669 1.5416 1.5421 1.7624 1.7638 1.8762 1.8772 2.1815 2.1836 2.3382 2.3438 2.5232 2.5284 3.0111 3.0125 3.2049 3.2107 3.3851 3.3921 3.9367 3.9379 4.1831 4.1850 4.4534 4.4536 4.5520 4.5528 5.6868 5.6883 5.9573 5.9583 12.7517 12.7528 13.4163 13.4170 13.6760 13.6775 14.1456 14.1502 14.3923 14.4009 14.4252 14.4295 k = 0.4483 0.5871-0.1889 ( 4544 PWs) bands (ev): -14.1583 -14.1579 -13.9223 -13.9219 -13.7299 -13.7296 -13.2821 -13.2819 -12.6799 -12.6798 -12.3520 -12.3519 -12.1633 -12.1631 -11.9588 -11.9587 -2.3598 -2.3572 -2.0364 -2.0355 -1.9137 -1.9118 -1.3832 -1.3825 -0.9469 -0.9464 -0.3646 -0.3644 0.2207 0.2233 0.3809 0.3844 1.4635 1.4651 1.5368 1.5375 1.7626 1.7644 1.8748 1.8762 2.1721 2.1753 2.3100 2.3167 2.5519 2.5578 3.0167 3.0186 3.1900 3.1972 3.4052 3.4140 3.9274 3.9291 4.1911 4.1937 4.4529 4.4532 4.5602 4.5613 5.6806 5.6829 5.9609 5.9623 12.7248 12.7264 13.4084 13.4094 13.6646 13.6667 14.1350 14.1413 14.3795 14.3892 14.4297 14.4337 k = 0.4310 0.5871-0.1889 ( 4542 PWs) bands (ev): -14.1843 -14.1839 -13.8938 -13.8933 -13.7391 -13.7387 -13.2669 -13.2667 -12.6817 -12.6815 -12.3541 -12.3538 -12.1641 -12.1638 -11.9610 -11.9609 -2.4261 -2.4234 -2.0447 -2.0437 -1.8795 -1.8775 -1.3678 -1.3669 -0.9280 -0.9273 -0.3527 -0.3524 0.2047 0.2073 0.4032 0.4072 1.4605 1.4626 1.5301 1.5308 1.7627 1.7645 1.8723 1.8743 2.1600 2.1643 2.2818 2.2892 2.5822 2.5884 3.0240 3.0262 3.1735 3.1815 3.4303 3.4402 3.9155 3.9175 4.2016 4.2048 4.4526 4.4530 4.5712 4.5726 5.6724 5.6753 5.9658 5.9676 12.6881 12.6903 13.3969 13.3982 13.6496 13.6521 14.1221 14.1293 14.3653 14.3754 14.4350 14.4387 k = 0.4138 0.5871-0.1889 ( 4538 PWs) bands (ev): -14.2110 -14.2106 -13.8654 -13.8647 -13.7482 -13.7477 -13.2485 -13.2483 -12.6840 -12.6838 -12.3566 -12.3563 -12.1651 -12.1648 -11.9638 -11.9637 -2.4926 -2.4900 -2.0692 -2.0679 -1.8384 -1.8367 -1.3486 -1.3476 -0.9046 -0.9038 -0.3377 -0.3374 0.1886 0.1912 0.4278 0.4320 1.4570 1.4596 1.5214 1.5221 1.7619 1.7633 1.8688 1.8714 2.1456 2.1510 2.2561 2.2640 2.6121 2.6185 3.0325 3.0347 3.1568 3.1653 3.4591 3.4696 3.9015 3.9038 4.2139 4.2177 4.4527 4.4532 4.5847 4.5864 5.6624 5.6659 5.9718 5.9740 12.6425 12.6451 13.3816 13.3831 13.6317 13.6345 14.1076 14.1152 14.3507 14.3606 14.4409 14.4445 k = 0.3966 0.5871-0.1889 ( 4540 PWs) bands (ev): -14.2378 -14.2373 -13.8410 -13.8403 -13.7535 -13.7529 -13.2275 -13.2273 -12.6868 -12.6866 -12.3597 -12.3593 -12.1663 -12.1660 -11.9672 -11.9671 -2.5588 -2.5562 -2.1015 -2.1000 -1.7989 -1.7974 -1.3257 -1.3244 -0.8775 -0.8766 -0.3199 -0.3196 0.1728 0.1754 0.4543 0.4586 1.4532 1.4560 1.5105 1.5113 1.7592 1.7597 1.8644 1.8678 2.1290 2.1351 2.2352 2.2433 2.6406 2.6472 3.0414 3.0433 3.1407 3.1497 3.4908 3.5015 3.8860 3.8885 4.2277 4.2319 4.4533 4.4539 4.6005 4.6024 5.6507 5.6547 5.9787 5.9811 12.5888 12.5919 13.3622 13.3638 13.6117 13.6147 14.0926 14.1000 14.3362 14.3455 14.4469 14.4505 k = 0.3793 0.5871-0.1889 ( 4544 PWs) bands (ev): -14.2641 -14.2637 -13.8282 -13.8276 -13.7472 -13.7466 -13.2045 -13.2042 -12.6902 -12.6900 -12.3633 -12.3628 -12.1678 -12.1673 -11.9712 -11.9712 -2.6243 -2.6217 -2.1380 -2.1363 -1.7641 -1.7629 -1.2987 -1.2973 -0.8473 -0.8463 -0.2997 -0.2993 0.1578 0.1603 0.4824 0.4869 1.4490 1.4521 1.4976 1.4984 1.7525 1.7531 1.8599 1.8644 2.1097 2.1161 2.2210 2.2289 2.6673 2.6740 3.0497 3.0511 3.1263 3.1359 3.5247 3.5356 3.8694 3.8720 4.2424 4.2470 4.4545 4.4553 4.6182 4.6203 5.6377 5.6420 5.9863 5.9889 12.5282 12.5317 13.3386 13.3401 13.5907 13.5936 14.0778 14.0846 14.3220 14.3304 14.4527 14.4561 k = 0.3621 0.5871-0.1889 ( 4546 PWs) bands (ev): -14.2898 -14.2894 -13.8304 -13.8300 -13.7257 -13.7253 -13.1798 -13.1795 -12.6942 -12.6939 -12.3673 -12.3668 -12.1694 -12.1689 -11.9759 -11.9758 -2.6888 -2.6862 -2.1770 -2.1752 -1.7353 -1.7343 -1.2676 -1.2663 -0.8148 -0.8137 -0.2774 -0.2770 0.1435 0.1459 0.5122 0.5168 1.4445 1.4479 1.4826 1.4835 1.7406 1.7423 1.8567 1.8621 2.0878 2.0938 2.2144 2.2215 2.6914 2.6983 3.0555 3.0569 3.1154 3.1255 3.5605 3.5713 3.8519 3.8547 4.2578 4.2628 4.4564 4.4573 4.6377 4.6399 5.6234 5.6281 5.9945 5.9971 12.4618 12.4655 13.3107 13.3121 13.5693 13.5720 14.0637 14.0697 14.3081 14.3153 14.4577 14.4611 k = 0.3448 0.5871-0.1889 ( 4552 PWs) bands (ev): -14.3148 -14.3143 -13.8411 -13.8408 -13.6957 -13.6954 -13.1539 -13.1535 -12.6988 -12.6985 -12.3718 -12.3713 -12.1712 -12.1706 -11.9811 -11.9810 -2.7518 -2.7493 -2.2174 -2.2155 -1.7129 -1.7121 -1.2330 -1.2317 -0.7805 -0.7794 -0.2534 -0.2531 0.1302 0.1324 0.5437 0.5484 1.4396 1.4432 1.4656 1.4668 1.7238 1.7263 1.8555 1.8615 2.0638 2.0691 2.2146 2.2207 2.7125 2.7196 3.0568 3.0590 3.1104 3.1205 3.5977 3.6083 3.8338 3.8366 4.2736 4.2789 4.4589 4.4599 4.6586 4.6611 5.6079 5.6129 6.0030 6.0056 12.3905 12.3946 13.2789 13.2802 13.5480 13.5505 14.0506 14.0556 14.2944 14.3005 14.4616 14.4649 k = 0.3276 0.5871-0.1889 ( 4546 PWs) bands (ev): -14.3388 -14.3384 -13.8551 -13.8549 -13.6621 -13.6619 -13.1270 -13.1266 -12.7040 -12.7037 -12.3767 -12.3761 -12.1732 -12.1725 -11.9870 -11.9868 -2.8133 -2.8108 -2.2582 -2.2563 -1.6964 -1.6958 -1.1954 -1.1942 -0.7451 -0.7438 -0.2283 -0.2280 0.1178 0.1199 0.5770 0.5816 1.4338 1.4372 1.4473 1.4492 1.7029 1.7059 1.8562 1.8625 2.0386 2.0434 2.2201 2.2255 2.7302 2.7374 3.0537 3.0569 3.1122 3.1213 3.6359 3.6462 3.8152 3.8182 4.2898 4.2954 4.4621 4.4632 4.6809 4.6834 5.5916 5.5968 6.0117 6.0143 12.3157 12.3199 13.2438 13.2449 13.5271 13.5294 14.0387 14.0427 14.2810 14.2859 14.4642 14.4673 k = 0.3103 0.5871-0.1889 ( 4544 PWs) bands (ev): -14.3619 -14.3615 -13.8703 -13.8701 -13.6270 -13.6268 -13.0995 -13.0990 -12.7099 -12.7095 -12.3819 -12.3813 -12.1753 -12.1745 -11.9933 -11.9931 -2.8728 -2.8704 -2.2990 -2.2971 -1.6852 -1.6846 -1.1558 -1.1549 -0.7088 -0.7073 -0.2025 -0.2023 0.1063 0.1084 0.6119 0.6165 1.4219 1.4233 1.4335 1.4370 1.6791 1.6824 1.8582 1.8647 2.0133 2.0175 2.2295 2.2344 2.7438 2.7511 3.0489 3.0528 3.1185 3.1263 3.6746 3.6847 3.7963 3.7995 4.3062 4.3120 4.4658 4.4669 4.7042 4.7068 5.5744 5.5798 6.0205 6.0231 12.2382 12.2426 13.2060 13.2068 13.5068 13.5089 14.0278 14.0308 14.2679 14.2716 14.4653 14.4682 k = 0.2931 0.5871-0.1889 ( 4550 PWs) bands (ev): -14.3840 -14.3837 -13.8858 -13.8857 -13.5911 -13.5909 -13.0715 -13.0711 -12.7165 -12.7161 -12.3874 -12.3868 -12.1775 -12.1767 -12.0002 -12.0000 -2.9303 -2.9279 -2.3393 -2.3374 -1.6781 -1.6777 -1.1154 -1.1147 -0.6719 -0.6703 -0.1766 -0.1764 0.0960 0.0979 0.6486 0.6531 1.4004 1.4016 1.4268 1.4308 1.6536 1.6570 1.8609 1.8673 1.9887 1.9925 2.2415 2.2461 2.7529 2.7603 3.0454 3.0497 3.1268 3.1334 3.7132 3.7232 3.7772 3.7809 4.3227 4.3286 4.4700 4.4712 4.7283 4.7310 5.5564 5.5620 6.0293 6.0319 12.1592 12.1637 13.1661 13.1668 13.4871 13.4889 14.0180 14.0201 14.2551 14.2580 14.4650 14.4676 k = 0.2759 0.5871-0.1889 ( 4554 PWs) bands (ev): -14.4051 -14.4047 -13.9013 -13.9012 -13.5547 -13.5546 -13.0434 -13.0430 -12.7238 -12.7234 -12.3932 -12.3926 -12.1799 -12.1790 -12.0076 -12.0074 -2.9854 -2.9832 -2.3787 -2.3767 -1.6745 -1.6742 -1.0751 -1.0746 -0.6345 -0.6328 -0.1510 -0.1507 0.0866 0.0885 0.6868 0.6912 1.3759 1.3773 1.4212 1.4254 1.6276 1.6309 1.8633 1.8698 1.9654 1.9691 2.2551 2.2596 2.7574 2.7647 3.0447 3.0492 3.1359 3.1415 3.7463 3.7548 3.7634 3.7684 4.3392 4.3453 4.4748 4.4760 4.7529 4.7557 5.5379 5.5435 6.0381 6.0406 12.0796 12.0841 13.1250 13.1255 13.4679 13.4696 14.0091 14.0103 14.2426 14.2451 14.4633 14.4657 k = 0.2586 0.5871-0.1889 ( 4558 PWs) bands (ev): -14.4250 -14.4247 -13.9164 -13.9162 -13.5183 -13.5181 -13.0154 -13.0149 -12.7318 -12.7315 -12.3992 -12.3985 -12.1825 -12.1814 -12.0154 -12.0151 -3.0381 -3.0360 -2.4168 -2.4149 -1.6734 -1.6731 -1.0358 -1.0355 -0.5969 -0.5950 -0.1262 -0.1259 0.0783 0.0800 0.7264 0.7306 1.3498 1.3512 1.4157 1.4199 1.6018 1.6050 1.8646 1.8711 1.9446 1.9482 2.2694 2.2738 2.7573 2.7644 3.0477 3.0520 3.1453 3.1501 3.7371 3.7382 3.7938 3.8007 4.3556 4.3618 4.4800 4.4812 4.7779 4.7806 5.5188 5.5245 6.0467 6.0491 12.0003 12.0048 13.0833 13.0835 13.4492 13.4509 14.0009 14.0016 14.2306 14.2333 14.4604 14.4624 k = 0.2414 0.5871-0.1889 ( 4566 PWs) bands (ev): -14.4438 -14.4435 -13.9309 -13.9308 -13.4818 -13.4816 -12.9876 -12.9871 -12.7407 -12.7403 -12.4052 -12.4046 -12.1851 -12.1840 -12.0236 -12.0233 -3.0882 -3.0862 -2.4534 -2.4516 -1.6742 -1.6740 -0.9984 -0.9980 -0.5589 -0.5570 -0.1026 -0.1021 0.0710 0.0726 0.7671 0.7711 1.3225 1.3239 1.4100 1.4143 1.5768 1.5798 1.8635 1.8699 1.9277 1.9313 2.2836 2.2880 2.7532 2.7601 3.0542 3.0583 3.1548 3.1589 3.7173 3.7191 3.8305 3.8374 4.3719 4.3782 4.4856 4.4869 4.8029 4.8056 5.4994 5.5051 6.0551 6.0574 11.9222 11.9265 13.0414 13.0416 13.4312 13.4327 13.9929 13.9938 14.2194 14.2226 14.4563 14.4580 k = 0.2241 0.5871-0.1889 ( 4568 PWs) bands (ev): -14.4614 -14.4611 -13.9448 -13.9447 -13.4455 -13.4452 -12.9603 -12.9597 -12.7504 -12.7501 -12.4113 -12.4106 -12.1878 -12.1866 -12.0321 -12.0317 -3.1354 -3.1335 -2.4883 -2.4866 -1.6765 -1.6763 -0.9632 -0.9627 -0.5208 -0.5188 -0.0805 -0.0800 0.0647 0.0662 0.8085 0.8123 1.2944 1.2958 1.4042 1.4085 1.5530 1.5557 1.8585 1.8643 1.9165 1.9200 2.2970 2.3014 2.7458 2.7524 3.0639 3.0677 3.1644 3.1681 3.6972 3.6992 3.8665 3.8730 4.3880 4.3942 4.4917 4.4930 4.8278 4.8305 5.4797 5.4853 6.0632 6.0654 11.8459 11.8502 13.0001 13.0003 13.4138 13.4152 13.9853 13.9868 14.2092 14.2132 14.4512 14.4526 k = 0.2069 0.5871-0.1889 ( 4562 PWs) bands (ev): -14.4778 -14.4775 -13.9579 -13.9578 -13.4094 -13.4092 -12.9338 -12.9331 -12.7608 -12.7606 -12.4173 -12.4166 -12.1907 -12.1894 -12.0407 -12.0403 -3.1798 -3.1780 -2.5213 -2.5196 -1.6797 -1.6795 -0.9307 -0.9300 -0.4827 -0.4805 -0.0604 -0.0597 0.0594 0.0607 0.8503 0.8538 1.2660 1.2673 1.3982 1.4026 1.5305 1.5331 1.8491 1.8539 1.9114 1.9147 2.3093 2.3136 2.7361 2.7424 3.0760 3.0795 3.1742 3.1777 3.6767 3.6789 3.9009 3.9070 4.4037 4.4098 4.4983 4.4995 4.8522 4.8548 5.4598 5.4654 6.0710 6.0730 11.7724 11.7764 12.9597 12.9600 13.3971 13.3985 13.9781 13.9801 14.2004 14.2051 14.4452 14.4463 k = 0.1897 0.5871-0.1889 ( 4562 PWs) bands (ev): -14.4930 -14.4927 -13.9702 -13.9700 -13.3737 -13.3734 -12.9083 -12.9076 -12.7720 -12.7718 -12.4231 -12.4225 -12.1937 -12.1923 -12.0495 -12.0490 -3.2210 -3.2193 -2.5522 -2.5506 -1.6835 -1.6833 -0.9011 -0.9002 -0.4446 -0.4424 -0.0424 -0.0417 0.0550 0.0561 0.8916 0.8949 1.2379 1.2391 1.3922 1.3966 1.5096 1.5120 1.8372 1.8411 1.9104 1.9135 2.3198 2.3240 2.7249 2.7310 3.0896 3.0930 3.1844 3.1881 3.6561 3.6583 3.9335 3.9390 4.4189 4.4247 4.5055 4.5066 4.8759 4.8785 5.4400 5.4454 6.0784 6.0802 11.7021 11.7060 12.9208 12.9212 13.3812 13.3826 13.9712 13.9737 14.1931 14.1984 14.4384 14.4392 k = 0.1724 0.5871-0.1889 ( 4562 PWs) bands (ev): -14.5069 -14.5066 -13.9815 -13.9814 -13.3386 -13.3382 -12.8846 -12.8837 -12.7837 -12.7834 -12.4288 -12.4282 -12.1967 -12.1953 -12.0582 -12.0576 -3.2590 -3.2575 -2.5808 -2.5794 -1.6876 -1.6875 -0.8744 -0.8734 -0.4068 -0.4046 -0.0268 -0.0260 0.0515 0.0525 0.9319 0.9349 1.2107 1.2119 1.3862 1.3906 1.4903 1.4925 1.8247 1.8278 1.9116 1.9144 2.3283 2.3324 2.7131 2.7190 3.1037 3.1072 3.1956 3.1997 3.6351 3.6374 3.9638 3.9688 4.4333 4.4387 4.5132 4.5144 4.8987 4.9012 5.4203 5.4256 6.0853 6.0870 11.6358 11.6395 12.8837 12.8842 13.3663 13.3676 13.9646 13.9675 14.1874 14.1932 14.4309 14.4316 k = 0.1552 0.5871-0.1889 ( 4570 PWs) bands (ev): -14.5195 -14.5193 -13.9919 -13.9918 -13.3040 -13.3037 -12.8638 -12.8624 -12.7949 -12.7942 -12.4341 -12.4336 -12.1998 -12.1984 -12.0667 -12.0661 -3.2938 -3.2924 -2.6071 -2.6057 -1.6919 -1.6918 -0.8507 -0.8497 -0.3696 -0.3675 -0.0137 -0.0129 0.0488 0.0496 0.9701 0.9730 1.1854 1.1864 1.3802 1.3847 1.4727 1.4746 1.8126 1.8152 1.9137 1.9164 2.3346 2.3386 2.7014 2.7069 3.1174 3.1213 3.2082 3.2129 3.6138 3.6162 3.9917 3.9961 4.4466 4.4514 4.5215 4.5230 4.9203 4.9227 5.4010 5.4061 6.0917 6.0933 11.5741 11.5775 12.8490 12.8495 13.3524 13.3536 13.9583 13.9613 14.1834 14.1894 14.4228 14.4235 k = 0.1379 0.5871-0.1889 ( 4566 PWs) bands (ev): -14.5309 -14.5307 -14.0013 -14.0012 -13.2702 -13.2699 -12.8497 -12.8476 -12.8022 -12.8007 -12.4391 -12.4386 -12.2030 -12.2015 -12.0749 -12.0742 -3.3251 -3.3239 -2.6308 -2.6296 -1.6960 -1.6959 -0.8299 -0.8289 -0.3335 -0.3314 -0.0033 -0.0025 0.0469 0.0476 1.0047 1.0075 1.1630 1.1641 1.3746 1.3789 1.4567 1.4585 1.8017 1.8038 1.9162 1.9187 2.3388 2.3425 2.6902 2.6954 3.1301 3.1341 3.2229 3.2281 3.5921 3.5946 4.0168 4.0207 4.4586 4.4627 4.5305 4.5323 4.9406 4.9428 5.3824 5.3872 6.0976 6.0990 11.5174 11.5205 12.8169 12.8174 13.3397 13.3408 13.9523 13.9554 14.1810 14.1872 14.4144 14.4152 k = 0.1207 0.5871-0.1889 ( 4566 PWs) bands (ev): -14.5410 -14.5408 -14.0096 -14.0095 -13.2374 -13.2370 -12.8492 -12.8470 -12.7980 -12.7963 -12.4436 -12.4432 -12.2062 -12.2047 -12.0826 -12.0819 -3.3530 -3.3519 -2.6520 -2.6510 -1.7000 -1.6999 -0.8120 -0.8111 -0.2987 -0.2967 0.0045 0.0052 0.0454 0.0462 1.0331 1.0359 1.1460 1.1473 1.3693 1.3735 1.4425 1.4441 1.7920 1.7937 1.9190 1.9212 2.3410 2.3443 2.6800 2.6848 3.1410 3.1451 3.2402 3.2455 3.5701 3.5726 4.0392 4.0425 4.4690 4.4723 4.5401 4.5423 4.9593 4.9614 5.3646 5.3690 6.1029 6.1042 11.4662 11.4690 12.7878 12.7883 13.3282 13.3292 13.9467 13.9496 14.1802 14.1862 14.4059 14.4068 k = 0.1034 0.5871-0.1889 ( 4564 PWs) bands (ev): -14.5497 -14.5495 -14.0169 -14.0168 -13.2057 -13.2053 -12.8599 -12.8582 -12.7849 -12.7836 -12.4477 -12.4473 -12.2093 -12.2079 -12.0895 -12.0889 -3.3772 -3.3763 -2.6705 -2.6696 -1.7037 -1.7036 -0.7968 -0.7959 -0.2660 -0.2641 0.0100 0.0106 0.0441 0.0451 1.0504 1.0532 1.1392 1.1408 1.3646 1.3686 1.4300 1.4315 1.7836 1.7850 1.9217 1.9237 2.3414 2.3444 2.6711 2.6753 3.1502 3.1539 3.2598 3.2652 3.5476 3.5503 4.0586 4.0614 4.4776 4.4802 4.5501 4.5526 4.9762 4.9781 5.3481 5.3521 6.1076 6.1087 11.4210 11.4234 12.7619 12.7624 13.3180 13.3189 13.9416 13.9443 14.1806 14.1863 14.3975 14.3985 k = 0.0862 0.5871-0.1889 ( 4570 PWs) bands (ev): -14.5571 -14.5570 -14.0231 -14.0231 -13.1755 -13.1750 -12.8750 -12.8736 -12.7704 -12.7694 -12.4512 -12.4508 -12.2123 -12.2110 -12.0957 -12.0950 -3.3979 -3.3971 -2.6863 -2.6855 -1.7069 -1.7068 -0.7842 -0.7834 -0.2357 -0.2340 0.0136 0.0142 0.0427 0.0438 1.0533 1.0557 1.1460 1.1475 1.3606 1.3643 1.4193 1.4207 1.7766 1.7778 1.9243 1.9260 2.3404 2.3430 2.6635 2.6672 3.1575 3.1607 3.2814 3.2866 3.5247 3.5275 4.0750 4.0773 4.4846 4.4865 4.5599 4.5625 4.9911 4.9927 5.3331 5.3365 6.1117 6.1126 11.3821 11.3842 12.7395 12.7400 13.3093 13.3101 13.9370 13.9394 14.1820 14.1872 14.3894 14.3905 k = 0.0690 0.5871-0.1889 ( 4576 PWs) bands (ev): -14.5632 -14.5631 -14.0282 -14.0282 -13.1471 -13.1466 -12.8917 -12.8906 -12.7572 -12.7565 -12.4541 -12.4538 -12.2150 -12.2139 -12.1008 -12.1003 -3.4148 -3.4142 -2.6993 -2.6987 -1.7096 -1.7095 -0.7741 -0.7734 -0.2088 -0.2072 0.0158 0.0164 0.0408 0.0419 1.0473 1.0491 1.1603 1.1616 1.3575 1.3607 1.4105 1.4117 1.7710 1.7719 1.9267 1.9281 2.3386 2.3407 2.6574 2.6604 3.1632 3.1658 3.3046 3.3094 3.5014 3.5043 4.0885 4.0903 4.4901 4.4915 4.5692 4.5716 5.0038 5.0052 5.3200 5.3229 6.1151 6.1158 11.3499 11.3516 12.7209 12.7213 13.3021 13.3027 13.9331 13.9351 14.1841 14.1886 14.3821 14.3832 k = 0.0517 0.5871-0.1889 ( 4572 PWs) bands (ev): -14.5679 -14.5678 -14.0322 -14.0322 -13.1214 -13.1209 -12.9086 -12.9076 -12.7464 -12.7459 -12.4564 -12.4562 -12.2173 -12.2164 -12.1049 -12.1044 -3.4280 -3.4276 -2.7094 -2.7089 -1.7118 -1.7117 -0.7663 -0.7658 -0.1859 -0.1847 0.0172 0.0177 0.0385 0.0395 1.0392 1.0405 1.1751 1.1762 1.3553 1.3579 1.4036 1.4046 1.7667 1.7674 1.9288 1.9299 2.3366 2.3382 2.6528 2.6552 3.1675 3.1694 3.3287 3.3332 3.4777 3.4808 4.0989 4.1003 4.4943 4.4952 4.5772 4.5792 5.0141 5.0151 5.3094 5.3116 6.1177 6.1183 11.3246 11.3259 12.7063 12.7065 13.2964 13.2969 13.9300 13.9315 14.1866 14.1901 14.3760 14.3769 k = 0.0345 0.5871-0.1889 ( 4578 PWs) bands (ev): -14.5713 -14.5712 -14.0351 -14.0350 -13.0996 -13.0992 -12.9239 -12.9232 -12.7383 -12.7380 -12.4580 -12.4579 -12.2190 -12.2184 -12.1078 -12.1075 -3.4375 -3.4372 -2.7166 -2.7163 -1.7134 -1.7133 -0.7607 -0.7604 -0.1683 -0.1674 0.0181 0.0184 0.0361 0.0369 1.0323 1.0331 1.1870 1.1877 1.3540 1.3559 1.3987 1.3993 1.7637 1.7642 1.9305 1.9312 2.3347 2.3358 2.6497 2.6513 3.1705 3.1718 3.3533 3.3575 3.4536 3.4568 4.1064 4.1073 4.4971 4.4977 4.5835 4.5849 5.0217 5.0224 5.3015 5.3030 6.1197 6.1200 11.3065 11.3073 12.6957 12.6959 13.2924 13.2927 13.9278 13.9288 14.1889 14.1913 14.3713 14.3720 k = 0.0172 0.5871-0.1889 ( 4578 PWs) bands (ev): -14.5733 -14.5733 -14.0368 -14.0367 -13.0842 -13.0840 -12.9354 -12.9350 -12.7333 -12.7331 -12.4590 -12.4589 -12.2201 -12.2198 -12.1096 -12.1094 -3.4431 -3.4430 -2.7210 -2.7208 -1.7143 -1.7143 -0.7574 -0.7572 -0.1569 -0.1564 0.0186 0.0188 0.0342 0.0347 1.0279 1.0283 1.1945 1.1949 1.3535 1.3545 1.3958 1.3961 1.7620 1.7622 1.9316 1.9319 2.3335 2.3341 2.6480 2.6488 3.1724 3.1731 3.3780 3.3818 3.4295 3.4328 4.1110 4.1114 4.4989 4.4992 4.5876 4.5883 5.0264 5.0268 5.2967 5.2975 6.1209 6.1211 11.2956 11.2960 12.6893 12.6894 13.2899 13.2901 13.9265 13.9271 14.1907 14.1920 14.3684 14.3688 k = 0.0000 0.5871-0.1889 ( 4582 PWs) bands (ev): -14.5740 -14.5740 -14.0373 -14.0373 -13.0784 -13.0784 -12.9397 -12.9397 -12.7316 -12.7316 -12.4593 -12.4593 -12.2203 -12.2203 -12.1101 -12.1101 -3.4450 -3.4450 -2.7223 -2.7223 -1.7146 -1.7146 -0.7563 -0.7563 -0.1529 -0.1529 0.0189 0.0189 0.0337 0.0337 1.0265 1.0265 1.1972 1.1972 1.3537 1.3537 1.3949 1.3949 1.7615 1.7615 1.9321 1.9321 2.3333 2.3333 2.6477 2.6477 3.1732 3.1732 3.3989 3.3989 3.4122 3.4122 4.1127 4.1127 4.4995 4.4995 4.5892 4.5892 5.0281 5.0281 5.2954 5.2954 6.1214 6.1214 11.2921 11.2921 12.6872 12.6872 13.2892 13.2892 13.9263 13.9263 14.1918 14.1918 14.3675 14.3675 k = 0.0000 0.5871-0.1889 ( 4582 PWs) bands (ev): -14.5740 -14.5740 -14.0373 -14.0373 -13.0784 -13.0784 -12.9397 -12.9397 -12.7316 -12.7316 -12.4593 -12.4593 -12.2203 -12.2203 -12.1101 -12.1101 -3.4450 -3.4450 -2.7223 -2.7223 -1.7146 -1.7146 -0.7563 -0.7563 -0.1529 -0.1529 0.0189 0.0189 0.0337 0.0337 1.0265 1.0265 1.1972 1.1972 1.3537 1.3537 1.3949 1.3949 1.7615 1.7615 1.9321 1.9321 2.3333 2.3333 2.6477 2.6477 3.1732 3.1732 3.3989 3.3989 3.4122 3.4122 4.1127 4.1127 4.4995 4.4995 4.5892 4.5892 5.0281 5.0281 5.2954 5.2954 6.1214 6.1214 11.2921 11.2921 12.6872 12.6872 13.2892 13.2892 13.9263 13.9263 14.1918 14.1918 14.3675 14.3675 k = 0.0000 0.5923-0.1726 ( 4576 PWs) bands (ev): -14.5739 -14.5739 -14.0372 -14.0372 -13.0784 -13.0784 -12.9398 -12.9398 -12.7320 -12.7319 -12.4589 -12.4588 -12.2203 -12.2203 -12.1104 -12.1104 -3.4458 -3.4458 -2.7224 -2.7223 -1.7144 -1.7141 -0.7565 -0.7565 -0.1519 -0.1516 0.0200 0.0201 0.0326 0.0326 1.0254 1.0255 1.1968 1.1968 1.3521 1.3525 1.3937 1.3938 1.7617 1.7625 1.9360 1.9362 2.3333 2.3337 2.6483 2.6484 3.1721 3.1724 3.4001 3.4002 3.4124 3.4124 4.1120 4.1122 4.4993 4.4995 4.5891 4.5891 5.0278 5.0279 5.2954 5.2954 6.1207 6.1208 11.2928 11.2930 12.6873 12.6876 13.2880 13.2882 13.9236 13.9238 14.1881 14.1883 14.3685 14.3686 k = 0.0000 0.5976-0.1563 ( 4575 PWs) bands (ev): -14.5735 -14.5735 -14.0369 -14.0369 -13.0784 -13.0784 -12.9400 -12.9399 -12.7333 -12.7331 -12.4575 -12.4573 -12.2202 -12.2202 -12.1114 -12.1113 -3.4481 -3.4481 -2.7224 -2.7222 -1.7135 -1.7128 -0.7573 -0.7572 -0.1487 -0.1482 0.0236 0.0238 0.0293 0.0293 1.0222 1.0225 1.1957 1.1958 1.3477 1.3485 1.3904 1.3908 1.7633 1.7649 1.9477 1.9481 2.3337 2.3345 2.6501 2.6502 3.1690 3.1696 3.4035 3.4038 3.4130 3.4131 4.1102 4.1106 4.4987 4.4991 4.5888 4.5888 5.0270 5.0271 5.2953 5.2954 6.1189 6.1191 11.2951 11.2954 12.6876 12.6883 13.2847 13.2850 13.9159 13.9162 14.1775 14.1777 14.3713 14.3716 k = 0.0000 0.6028-0.1400 ( 4576 PWs) bands (ev): -14.5730 -14.5730 -14.0363 -14.0363 -13.0784 -13.0784 -12.9403 -12.9403 -12.7354 -12.7350 -12.4553 -12.4550 -12.2201 -12.2201 -12.1130 -12.1128 -3.4521 -3.4521 -2.7224 -2.7222 -1.7118 -1.7108 -0.7585 -0.7583 -0.1434 -0.1426 0.0238 0.0239 0.0294 0.0298 1.0167 1.0172 1.1937 1.1937 1.3406 1.3418 1.3862 1.3867 1.7661 1.7684 1.9665 1.9671 2.3346 2.3358 2.6531 2.6533 3.1640 3.1648 3.4091 3.4095 3.4143 3.4143 4.1073 4.1078 4.4978 4.4983 4.5882 4.5882 5.0256 5.0257 5.2953 5.2954 6.1159 6.1163 11.2990 11.2994 12.6882 12.6892 13.2793 13.2797 13.9035 13.9039 14.1602 14.1606 14.3761 14.3765 k = 0.0000 0.6081-0.1237 ( 4580 PWs) bands (ev): -14.5723 -14.5722 -14.0355 -14.0355 -13.0784 -13.0784 -12.9407 -12.9407 -12.7382 -12.7376 -12.4522 -12.4518 -12.2199 -12.2199 -12.1152 -12.1150 -3.4575 -3.4575 -2.7226 -2.7223 -1.7093 -1.7081 -0.7600 -0.7598 -0.1359 -0.1349 0.0164 0.0165 0.0375 0.0379 1.0087 1.0094 1.1903 1.1904 1.3310 1.3325 1.3823 1.3828 1.7699 1.7728 1.9916 1.9923 2.3360 2.3376 2.6572 2.6575 3.1572 3.1583 3.4141 3.4141 3.4188 3.4193 4.1032 4.1039 4.4966 4.4973 4.5873 4.5873 5.0237 5.0238 5.2953 5.2955 6.1117 6.1122 11.3043 11.3048 12.6888 12.6902 13.2720 13.2725 13.8869 13.8873 14.1370 14.1375 14.3827 14.3831 k = 0.0000 0.6133-0.1074 ( 4582 PWs) bands (ev): -14.5714 -14.5713 -14.0344 -14.0344 -13.0785 -13.0785 -12.9413 -12.9412 -12.7415 -12.7409 -12.4484 -12.4478 -12.2197 -12.2197 -12.1180 -12.1178 -3.4642 -3.4642 -2.7229 -2.7226 -1.7062 -1.7047 -0.7618 -0.7615 -0.1263 -0.1250 0.0072 0.0072 0.0475 0.0480 0.9980 0.9989 1.1856 1.1859 1.3191 1.3208 1.3799 1.3805 1.7746 1.7781 2.0219 2.0227 2.3381 2.3401 2.6624 2.6628 3.1487 3.1500 3.4160 3.4160 3.4288 3.4295 4.0979 4.0988 4.4950 4.4959 4.5862 4.5862 5.0212 5.0214 5.2954 5.2957 6.1064 6.1070 11.3110 11.3117 12.6894 12.6911 13.2628 13.2635 13.8668 13.8673 14.1087 14.1092 14.3909 14.3913 k = 0.0000 0.6185-0.0911 ( 4578 PWs) bands (ev): -14.5704 -14.5703 -14.0330 -14.0330 -13.0785 -13.0785 -12.9419 -12.9419 -12.7454 -12.7447 -12.4438 -12.4432 -12.2195 -12.2195 -12.1215 -12.1212 -3.4721 -3.4721 -2.7235 -2.7232 -1.7024 -1.7006 -0.7636 -0.7634 -0.1145 -0.1130 -0.0037 -0.0037 0.0595 0.0600 0.9843 0.9853 1.1798 1.1802 1.3051 1.3069 1.3799 1.3804 1.7798 1.7838 2.0566 2.0576 2.3408 2.3432 2.6686 2.6690 3.1387 3.1402 3.4176 3.4177 3.4413 3.4421 4.0915 4.0925 4.4932 4.4943 4.5849 4.5849 5.0182 5.0184 5.2957 5.2960 6.0999 6.1007 11.3190 11.3198 12.6895 12.6916 13.2521 13.2530 13.8441 13.8446 14.0759 14.0766 14.4005 14.4009 k = 0.0000 0.6238-0.0748 ( 4573 PWs) bands (ev): -14.5693 -14.5693 -14.0313 -14.0313 -13.0786 -13.0786 -12.9427 -12.9426 -12.7497 -12.7489 -12.4387 -12.4380 -12.2191 -12.2191 -12.1255 -12.1252 -3.4811 -3.4811 -2.7245 -2.7241 -1.6980 -1.6959 -0.7655 -0.7652 -0.1007 -0.0990 -0.0160 -0.0160 0.0730 0.0736 0.9673 0.9685 1.1732 1.1738 1.2891 1.2911 1.3825 1.3830 1.7853 1.7898 2.0949 2.0961 2.3444 2.3471 2.6757 2.6761 3.1274 3.1290 3.4193 3.4194 3.4559 3.4569 4.0839 4.0851 4.4912 4.4924 4.5832 4.5832 5.0147 5.0149 5.2962 5.2965 6.0923 6.0932 11.3282 11.3291 12.6889 12.6914 13.2399 13.2410 13.8195 13.8200 14.0397 14.0405 14.4111 14.4114 k = 0.0000 0.6290-0.0585 ( 4573 PWs) bands (ev): -14.5683 -14.5682 -14.0292 -14.0292 -13.0787 -13.0787 -12.9436 -12.9435 -12.7543 -12.7534 -12.4330 -12.4322 -12.2188 -12.2188 -12.1302 -12.1298 -3.4910 -3.4910 -2.7260 -2.7256 -1.6929 -1.6907 -0.7671 -0.7668 -0.0849 -0.0830 -0.0296 -0.0295 0.0881 0.0887 0.9472 0.9484 1.1666 1.1674 1.2714 1.2735 1.3877 1.3881 1.7910 1.7959 2.1363 2.1376 2.3489 2.3519 2.6835 2.6840 3.1148 3.1166 3.4210 3.4211 3.4723 3.4734 4.0752 4.0764 4.4888 4.4903 4.5813 4.5813 5.0106 5.0109 5.2969 5.2973 6.0836 6.0846 11.3385 11.3395 12.6872 12.6900 13.2266 13.2279 13.7940 13.7944 14.0008 14.0015 14.4223 14.4226 k = 0.0000 0.6343-0.0422 ( 4565 PWs) bands (ev): -14.5673 -14.5672 -14.0267 -14.0267 -13.0788 -13.0787 -12.9445 -12.9444 -12.7591 -12.7582 -12.4269 -12.4260 -12.2183 -12.2183 -12.1355 -12.1351 -3.5017 -3.5017 -2.7281 -2.7277 -1.6874 -1.6850 -0.7684 -0.7681 -0.0671 -0.0651 -0.0441 -0.0441 0.1043 0.1049 0.9240 0.9254 1.1604 1.1613 1.2522 1.2542 1.3949 1.3953 1.7967 1.8018 2.1802 2.1816 2.3545 2.3577 2.6920 2.6925 3.1013 3.1031 3.4226 3.4228 3.4905 3.4917 4.0653 4.0666 4.4862 4.4878 4.5792 4.5792 5.0060 5.0063 5.2980 5.2985 6.0738 6.0750 11.3497 11.3508 12.6839 12.6870 13.2123 13.2138 13.7685 13.7687 13.9598 13.9606 14.4337 14.4339 k = 0.0000 0.6395-0.0259 ( 4567 PWs) bands (ev): -14.5664 -14.5663 -14.0237 -14.0237 -13.0789 -13.0789 -12.9455 -12.9455 -12.7640 -12.7630 -12.4204 -12.4195 -12.2179 -12.2179 -12.1415 -12.1410 -3.5129 -3.5129 -2.7309 -2.7305 -1.6815 -1.6789 -0.7693 -0.7690 -0.0595 -0.0595 -0.0475 -0.0454 0.1217 0.1223 0.8983 0.8996 1.1549 1.1559 1.2315 1.2335 1.4038 1.4041 1.8022 1.8075 2.2263 2.2279 2.3610 2.3645 2.7011 2.7015 3.0869 3.0888 3.4242 3.4244 3.5101 3.5115 4.0543 4.0557 4.4833 4.4852 4.5767 4.5767 5.0010 5.0013 5.2995 5.3000 6.0629 6.0643 11.3617 11.3628 12.6785 12.6821 13.1973 13.1991 13.7437 13.7438 13.9174 13.9183 14.4445 14.4448 k = 0.0000 0.6448-0.0096 ( 4562 PWs) bands (ev): -14.5657 -14.5656 -14.0203 -14.0202 -13.0790 -13.0790 -12.9466 -12.9465 -12.7689 -12.7678 -12.4136 -12.4127 -12.2173 -12.2173 -12.1480 -12.1475 -3.5245 -3.5245 -2.7344 -2.7340 -1.6753 -1.6725 -0.7695 -0.7692 -0.0754 -0.0753 -0.0263 -0.0241 0.1399 0.1405 0.8703 0.8717 1.1502 1.1513 1.2095 1.2116 1.4140 1.4143 1.8073 1.8128 2.2742 2.2759 2.3687 2.3723 2.7105 2.7109 3.0719 3.0737 3.4257 3.4259 3.5311 3.5326 4.0423 4.0436 4.4802 4.4822 4.5741 4.5741 4.9954 4.9957 5.3014 5.3019 6.0510 6.0525 11.3742 11.3755 12.6707 12.6746 13.1818 13.1839 13.7204 13.7204 13.8742 13.8752 14.4543 14.4546 k = 0.0000 0.6500 0.0067 ( 4559 PWs) bands (ev): -14.5654 -14.5653 -14.0162 -14.0162 -13.0792 -13.0792 -12.9478 -12.9477 -12.7737 -12.7726 -12.4066 -12.4056 -12.2167 -12.2167 -12.1552 -12.1546 -3.5364 -3.5364 -2.7386 -2.7382 -1.6689 -1.6660 -0.7690 -0.7687 -0.0916 -0.0916 -0.0036 -0.0012 0.1589 0.1594 0.8408 0.8421 1.1463 1.1475 1.1864 1.1884 1.4250 1.4252 1.8121 1.8176 2.3238 2.3256 2.3775 2.3812 2.7202 2.7205 3.0564 3.0583 3.4272 3.4274 3.5532 3.5548 4.0293 4.0307 4.4768 4.4790 4.5712 4.5712 4.9894 4.9897 5.3037 5.3043 6.0381 6.0397 11.3872 11.3885 12.6599 12.6642 13.1660 13.1684 13.6992 13.6994 13.8308 13.8317 14.4621 14.4626 k = 0.0000 0.6552 0.0230 ( 4559 PWs) bands (ev): -14.5654 -14.5653 -14.0114 -14.0114 -13.0794 -13.0794 -12.9490 -12.9489 -12.7783 -12.7772 -12.3994 -12.3984 -12.2161 -12.2161 -12.1629 -12.1623 -3.5484 -3.5484 -2.7437 -2.7433 -1.6626 -1.6595 -0.7677 -0.7674 -0.1081 -0.1080 0.0205 0.0229 0.1785 0.1790 0.8101 0.8114 1.1429 1.1443 1.1623 1.1645 1.4365 1.4367 1.8164 1.8219 2.3746 2.3762 2.3877 2.3913 2.7300 2.7302 3.0408 3.0425 3.4285 3.4288 3.5761 3.5779 4.0153 4.0167 4.4729 4.4753 4.5683 4.5683 4.9829 4.9833 5.3065 5.3071 6.0242 6.0259 11.4005 11.4017 12.6458 12.6504 13.1503 13.1529 13.6808 13.6813 13.7875 13.7884 14.4672 14.4681 k = 0.0000 0.6605 0.0393 ( 4554 PWs) bands (ev): -14.5658 -14.5657 -14.0060 -14.0060 -13.0797 -13.0797 -12.9502 -12.9501 -12.7827 -12.7816 -12.3921 -12.3911 -12.2153 -12.2153 -12.1712 -12.1706 -3.5603 -3.5603 -2.7495 -2.7492 -1.6563 -1.6531 -0.7654 -0.7652 -0.1245 -0.1245 0.0457 0.0481 0.1987 0.1991 0.7787 0.7800 1.1359 1.1360 1.1431 1.1438 1.4483 1.4485 1.8201 1.8256 2.3977 2.4018 2.4271 2.4293 2.7396 2.7396 3.0253 3.0269 3.4298 3.4301 3.5998 3.6016 4.0007 4.0020 4.4687 4.4713 4.5653 4.5653 4.9761 4.9764 5.3098 5.3104 6.0093 6.0112 11.4138 11.4150 12.6281 12.6331 13.1347 13.1375 13.6658 13.6663 13.7447 13.7457 14.4688 14.4702 k = 0.0000 0.6657 0.0555 ( 4556 PWs) bands (ev): -14.5668 -14.5667 -13.9998 -13.9998 -13.0800 -13.0800 -12.9515 -12.9513 -12.7868 -12.7857 -12.3847 -12.3836 -12.2146 -12.2145 -12.1801 -12.1795 -3.5721 -3.5721 -2.7561 -2.7558 -1.6504 -1.6471 -0.7623 -0.7620 -0.1408 -0.1408 0.0718 0.0741 0.2195 0.2197 0.7469 0.7482 1.1108 1.1119 1.1398 1.1405 1.4601 1.4603 1.8234 1.8288 2.4095 2.4135 2.4802 2.4826 2.7486 2.7488 3.0103 3.0116 3.4310 3.4313 3.6238 3.6258 3.9854 3.9866 4.4638 4.4666 4.5624 4.5625 4.9688 4.9691 5.3136 5.3142 5.9935 5.9955 11.4269 11.4281 12.6067 12.6120 13.1197 13.1226 13.6542 13.6548 13.7028 13.7038 14.4667 14.4687 k = 0.0000 0.6710 0.0718 ( 4554 PWs) bands (ev): -14.5684 -14.5684 -13.9928 -13.9927 -13.0804 -13.0804 -12.9528 -12.9526 -12.7906 -12.7895 -12.3772 -12.3761 -12.2137 -12.2137 -12.1896 -12.1889 -3.5835 -3.5835 -2.7635 -2.7632 -1.6449 -1.6415 -0.7582 -0.7579 -0.1568 -0.1568 0.0984 0.1006 0.2410 0.2410 0.7152 0.7163 1.0842 1.0854 1.1382 1.1390 1.4718 1.4720 1.8261 1.8313 2.4218 2.4258 2.5342 2.5367 2.7568 2.7572 2.9962 2.9971 3.4323 3.4326 3.6481 3.6502 3.9695 3.9707 4.4582 4.4612 4.5599 4.5599 4.9612 4.9615 5.3178 5.3184 5.9768 5.9790 11.4398 11.4409 12.5815 12.5872 13.1053 13.1083 13.6461 13.6467 13.6621 13.6632 14.4608 14.4634 k = 0.0000 0.6762 0.0881 ( 4550 PWs) bands (ev): -14.5708 -14.5707 -13.9848 -13.9848 -13.0808 -13.0808 -12.9541 -12.9539 -12.7939 -12.7928 -12.3697 -12.3686 -12.2128 -12.2128 -12.1996 -12.1989 -3.5946 -3.5945 -2.7715 -2.7712 -1.6399 -1.6365 -0.7532 -0.7529 -0.1724 -0.1723 0.1251 0.1271 0.2631 0.2633 0.6836 0.6848 1.0571 1.0582 1.1371 1.1378 1.4833 1.4835 1.8283 1.8333 2.4348 2.4387 2.5890 2.5916 2.7637 2.7645 2.9834 2.9839 3.4336 3.4340 3.6724 3.6746 3.9533 3.9545 4.4518 4.4548 4.5577 4.5577 4.9534 4.9536 5.3224 5.3230 5.9593 5.9617 11.4521 11.4531 12.5527 12.5587 13.0918 13.0949 13.6225 13.6234 13.6417 13.6425 14.4519 14.4550 k = 0.0000 0.6815 0.1044 ( 4550 PWs) bands (ev): -14.5738 -14.5737 -13.9760 -13.9759 -13.0812 -13.0812 -12.9555 -12.9552 -12.7968 -12.7957 -12.3623 -12.3611 -12.2119 -12.2118 -12.2101 -12.2093 -3.6051 -3.6050 -2.7802 -2.7799 -1.6358 -1.6323 -0.7472 -0.7470 -0.1875 -0.1874 0.1513 0.1531 0.2863 0.2867 0.6526 0.6537 1.0296 1.0305 1.1363 1.1370 1.4944 1.4947 1.8300 1.8347 2.4480 2.4517 2.6442 2.6470 2.7689 2.7700 2.9727 2.9727 3.4350 3.4354 3.6964 3.6988 3.9370 3.9380 4.4442 4.4474 4.5562 4.5563 4.9453 4.9455 5.3274 5.3280 5.9411 5.9436 11.4637 11.4646 12.5206 12.5269 13.0795 13.0826 13.5849 13.5858 13.6400 13.6407 14.4408 14.4442 k = 0.0000 0.6867 0.1207 ( 4553 PWs) bands (ev): -14.5777 -14.5776 -13.9661 -13.9660 -13.0818 -13.0818 -12.9568 -12.9566 -12.7992 -12.7981 -12.3548 -12.3537 -12.2211 -12.2205 -12.2107 -12.2107 -3.6150 -3.6149 -2.7894 -2.7892 -1.6324 -1.6289 -0.7405 -0.7402 -0.2019 -0.2018 0.1764 0.1779 0.3108 0.3116 0.6222 0.6233 1.0019 1.0026 1.1357 1.1365 1.5052 1.5054 1.8312 1.8356 2.4612 2.4648 2.6998 2.7028 2.7718 2.7732 2.9642 2.9647 3.4366 3.4371 3.7201 3.7226 3.9205 3.9214 4.4354 4.4387 4.5555 4.5556 4.9370 4.9372 5.3327 5.3333 5.9220 5.9247 11.4744 11.4752 12.4855 12.4921 13.0686 13.0715 13.5491 13.5500 13.6409 13.6414 14.4284 14.4320 k = 0.0000 0.6919 0.1370 ( 4554 PWs) bands (ev): -14.5824 -14.5823 -13.9552 -13.9551 -13.0823 -13.0823 -12.9582 -12.9580 -12.8011 -12.8000 -12.3475 -12.3463 -12.2326 -12.2319 -12.2096 -12.2096 -3.6241 -3.6241 -2.7992 -2.7990 -1.6301 -1.6265 -0.7331 -0.7328 -0.2155 -0.2154 0.1998 0.2009 0.3372 0.3383 0.5927 0.5937 0.9742 0.9746 1.1354 1.1361 1.5155 1.5158 1.8319 1.8360 2.4742 2.4775 2.7555 2.7587 2.7721 2.7738 2.9590 2.9600 3.4386 3.4391 3.7431 3.7457 3.9042 3.9050 4.4253 4.4286 4.5556 4.5559 4.9286 4.9287 5.3382 5.3388 5.9024 5.9052 11.4840 11.4846 12.4481 12.4550 13.0591 13.0620 13.5153 13.5163 13.6438 13.6441 14.4153 14.4191 k = 0.0000 0.6972 0.1533 ( 4556 PWs) bands (ev): -14.5879 -14.5879 -13.9434 -13.9432 -13.0830 -13.0830 -12.9597 -12.9594 -12.8023 -12.8013 -12.3402 -12.3391 -12.2445 -12.2438 -12.2084 -12.2084 -3.6325 -3.6325 -2.8093 -2.8091 -1.6288 -1.6252 -0.7251 -0.7248 -0.2284 -0.2283 0.2209 0.2217 0.3656 0.3671 0.5641 0.5652 0.9468 0.9469 1.1352 1.1359 1.5253 1.5256 1.8320 1.8358 2.4864 2.4895 2.7695 2.7712 2.8114 2.8148 2.9576 2.9590 3.4409 3.4414 3.7653 3.7681 3.8882 3.8888 4.4136 4.4169 4.5568 4.5571 4.9201 4.9202 5.3438 5.3444 5.8821 5.8850 11.4924 11.4927 12.4088 12.4159 13.0512 13.0539 13.4838 13.4847 13.6480 13.6480 14.4021 14.4060 k = 0.0000 0.7024 0.1696 ( 4545 PWs) bands (ev): -14.5943 -14.5943 -13.9305 -13.9303 -13.0837 -13.0837 -12.9612 -12.9609 -12.8030 -12.8020 -12.3331 -12.3319 -12.2568 -12.2561 -12.2071 -12.2071 -3.6400 -3.6399 -2.8198 -2.8196 -1.6286 -1.6250 -0.7168 -0.7164 -0.2405 -0.2403 0.2394 0.2398 0.3962 0.3979 0.5367 0.5377 0.9197 0.9198 1.1351 1.1358 1.5346 1.5350 1.8317 1.8351 2.4976 2.5003 2.7647 2.7663 2.8669 2.8706 2.9598 2.9615 3.4437 3.4443 3.7866 3.7896 3.8726 3.8730 4.4004 4.4037 4.5590 4.5594 4.9117 4.9117 5.3496 5.3501 5.8612 5.8644 11.4991 11.4993 12.3683 12.3756 13.0449 13.0476 13.4546 13.4556 13.6526 13.6528 14.3893 14.3931 k = 0.0000 0.7077 0.1859 ( 4545 PWs) bands (ev): -14.6016 -14.6016 -13.9165 -13.9164 -13.0845 -13.0845 -12.9628 -12.9625 -12.8031 -12.8021 -12.3261 -12.3250 -12.2694 -12.2687 -12.2058 -12.2058 -3.6465 -3.6465 -2.8305 -2.8304 -1.6296 -1.6260 -0.7082 -0.7078 -0.2516 -0.2514 0.2550 0.2551 0.4288 0.4308 0.5106 0.5116 0.8933 0.8937 1.1351 1.1358 1.5434 1.5438 1.8308 1.8339 2.5070 2.5093 2.7583 2.7596 2.9219 2.9259 2.9655 2.9673 3.4472 3.4479 3.8068 3.8100 3.8575 3.8579 4.3857 4.3890 4.5621 4.5626 4.9033 4.9034 5.3554 5.3559 5.8399 5.8432 11.5041 11.5042 12.3272 12.3346 13.0403 13.0428 13.4279 13.4289 13.6571 13.6577 14.3769 14.3807 k = 0.0000 0.7129 0.2022 ( 4547 PWs) bands (ev): -14.6097 -14.6097 -13.9016 -13.9014 -13.0854 -13.0854 -12.9645 -12.9643 -12.8025 -12.8015 -12.3196 -12.3184 -12.2821 -12.2814 -12.2044 -12.2044 -3.6521 -3.6521 -2.8414 -2.8413 -1.6319 -1.6282 -0.6996 -0.6992 -0.2618 -0.2616 0.2677 0.2679 0.4630 0.4652 0.4858 0.4868 0.8679 0.8686 1.1352 1.1358 1.5517 1.5521 1.8294 1.8321 2.5142 2.5160 2.7515 2.7523 2.9718 2.9725 2.9802 2.9818 3.4514 3.4521 3.8256 3.8287 3.8433 3.8440 4.3694 4.3727 4.5661 4.5667 4.8952 4.8953 5.3611 5.3616 5.8183 5.8217 11.5068 11.5072 12.2861 12.2936 13.0372 13.0395 13.4038 13.4048 13.6610 13.6619 14.3652 14.3690 k = 0.5000 0.4613 0.5800 ( 4550 PWs) bands (ev): -14.1586 -14.1586 -14.0309 -14.0307 -13.6095 -13.6093 -13.0822 -13.0813 -12.6274 -12.6273 -12.4571 -12.4558 -12.2448 -12.2422 -12.0832 -12.0831 -2.4622 -2.4617 -2.4463 -2.4444 -1.6726 -1.6724 -1.4847 -1.4840 -0.4156 -0.4150 -0.2480 -0.2472 0.3900 0.3922 0.4504 0.4528 0.9860 0.9866 1.0912 1.0925 1.5211 1.5217 1.7538 1.7555 2.5373 2.5409 2.5473 2.5536 2.8172 2.8188 3.1408 3.1440 3.4652 3.4665 3.5922 3.5937 4.0214 4.0229 4.0280 4.0291 4.4898 4.4909 4.7100 4.7123 5.6092 5.6093 5.6607 5.6617 12.5128 12.5195 12.8146 12.8169 13.5230 13.5238 13.6641 13.6664 14.4621 14.4630 14.5580 14.5584 k = 0.5000 0.4442 0.5800 ( 4544 PWs) bands (ev): -14.1541 -14.1541 -14.0306 -14.0305 -13.6183 -13.6181 -13.1016 -13.1007 -12.6262 -12.6261 -12.4533 -12.4519 -12.2331 -12.2305 -12.0722 -12.0721 -2.4858 -2.4853 -2.4306 -2.4287 -1.6614 -1.6612 -1.4511 -1.4503 -0.4381 -0.4374 -0.2665 -0.2659 0.3787 0.3809 0.4263 0.4284 1.0042 1.0047 1.1072 1.1085 1.5336 1.5344 1.7681 1.7699 2.5250 2.5265 2.5392 2.5407 2.7865 2.7882 3.1597 3.1631 3.4613 3.4627 3.5796 3.5811 4.0002 4.0065 4.0319 4.0355 4.4935 4.4945 4.7094 4.7117 5.6274 5.6275 5.6642 5.6652 12.5598 12.5668 12.8082 12.8105 13.5364 13.5372 13.6660 13.6683 14.4735 14.4740 14.5224 14.5227 k = 0.5000 0.4271 0.5800 ( 4546 PWs) bands (ev): -14.1501 -14.1501 -14.0329 -14.0327 -13.6245 -13.6243 -13.1205 -13.1196 -12.6245 -12.6244 -12.4489 -12.4475 -12.2217 -12.2191 -12.0615 -12.0613 -2.5094 -2.5089 -2.4147 -2.4128 -1.6494 -1.6493 -1.4168 -1.4159 -0.4618 -0.4611 -0.2858 -0.2854 0.3657 0.3679 0.4012 0.4032 1.0231 1.0234 1.1236 1.1247 1.5488 1.5499 1.7825 1.7843 2.5033 2.5068 2.5352 2.5355 2.7553 2.7572 3.1799 3.1835 3.4582 3.4598 3.5663 3.5678 3.9773 3.9836 4.0418 4.0453 4.4964 4.4973 4.7078 4.7100 5.6457 5.6457 5.6675 5.6685 12.6066 12.6138 12.8031 12.8052 13.5501 13.5509 13.6679 13.6702 14.4802 14.4807 14.4883 14.4888 k = 0.5000 0.4100 0.5800 ( 4550 PWs) bands (ev): -14.1464 -14.1464 -14.0375 -14.0373 -13.6285 -13.6283 -13.1389 -13.1380 -12.6222 -12.6221 -12.4440 -12.4427 -12.2107 -12.2081 -12.0510 -12.0508 -2.5329 -2.5324 -2.3986 -2.3967 -1.6368 -1.6367 -1.3819 -1.3810 -0.4866 -0.4858 -0.3059 -0.3057 0.3510 0.3532 0.3754 0.3771 1.0424 1.0426 1.1404 1.1414 1.5666 1.5678 1.7971 1.7990 2.4806 2.4849 2.5303 2.5310 2.7240 2.7261 3.2013 3.2050 3.4560 3.4578 3.5521 3.5537 3.9543 3.9607 4.0522 4.0557 4.4985 4.4994 4.7052 4.7074 5.6634 5.6636 5.6710 5.6718 12.6531 12.6605 12.7992 12.8013 13.5637 13.5645 13.6699 13.6722 14.4536 14.4540 14.4850 14.4852 k = 0.5000 0.3929 0.5800 ( 4550 PWs) bands (ev): -14.1432 -14.1432 -14.0442 -14.0440 -13.6303 -13.6301 -13.1568 -13.1560 -12.6194 -12.6192 -12.4387 -12.4373 -12.2001 -12.1975 -12.0408 -12.0406 -2.5562 -2.5557 -2.3823 -2.3804 -1.6235 -1.6234 -1.3466 -1.3456 -0.5123 -0.5114 -0.3267 -0.3266 0.3348 0.3368 0.3489 0.3505 1.0621 1.0622 1.1577 1.1586 1.5864 1.5879 1.8118 1.8138 2.4570 2.4617 2.5249 2.5257 2.6932 2.6955 3.2235 3.2274 3.4548 3.4568 3.5371 3.5387 3.9317 3.9381 4.0628 4.0664 4.5000 4.5008 4.7015 4.7037 5.6724 5.6734 5.6828 5.6829 12.6990 12.7067 12.7967 12.7988 13.5772 13.5779 13.6719 13.6741 14.4215 14.4217 14.4847 14.4849 k = 0.5000 0.3758 0.5800 ( 4550 PWs) bands (ev): -14.1403 -14.1403 -14.0527 -14.0525 -13.6304 -13.6302 -13.1741 -13.1734 -12.6160 -12.6158 -12.4330 -12.4316 -12.1899 -12.1874 -12.0308 -12.0306 -2.5791 -2.5786 -2.3659 -2.3640 -1.6094 -1.6094 -1.3109 -1.3098 -0.5386 -0.5376 -0.3483 -0.3480 0.3172 0.3184 0.3218 0.3240 1.0821 1.0822 1.1757 1.1765 1.6082 1.6099 1.8265 1.8286 2.4322 2.4373 2.5187 2.5195 2.6633 2.6658 3.2463 3.2503 3.4547 3.4568 3.5211 3.5227 3.9097 3.9163 4.0734 4.0769 4.5007 4.5015 4.6968 4.6989 5.6752 5.6762 5.7005 5.7005 12.7442 12.7523 12.7958 12.7979 13.5902 13.5910 13.6739 13.6760 14.3910 14.3910 14.4810 14.4814 k = 0.5000 0.3588 0.5800 ( 4558 PWs) bands (ev): -14.1378 -14.1378 -14.0626 -14.0625 -13.6290 -13.6288 -13.1909 -13.1902 -12.6121 -12.6119 -12.4268 -12.4254 -12.1802 -12.1777 -12.0212 -12.0209 -2.6015 -2.6010 -2.3494 -2.3475 -1.5948 -1.5948 -1.2750 -1.2738 -0.5652 -0.5641 -0.3703 -0.3698 0.2940 0.2940 0.2983 0.3014 1.1025 1.1025 1.1944 1.1952 1.6314 1.6334 1.8413 1.8434 2.4061 2.4116 2.5117 2.5124 2.6349 2.6376 3.2693 3.2735 3.4556 3.4578 3.5041 3.5057 3.8888 3.8954 4.0835 4.0871 4.5009 4.5016 4.6911 4.6931 5.6775 5.6785 5.7181 5.7181 12.7872 12.7961 12.7973 12.8002 13.6027 13.6034 13.6759 13.6777 14.3619 14.3621 14.4745 14.4750 k = 0.5000 0.3417 0.5800 ( 4562 PWs) bands (ev): -14.1356 -14.1356 -14.0737 -14.0736 -13.6264 -13.6263 -13.2071 -13.2064 -12.6077 -12.6075 -12.4203 -12.4189 -12.1709 -12.1684 -12.0118 -12.0116 -2.6234 -2.6230 -2.3329 -2.3310 -1.5796 -1.5795 -1.2391 -1.2378 -0.5919 -0.5907 -0.3928 -0.3920 0.2659 0.2661 0.2780 0.2807 1.1230 1.1231 1.2142 1.2148 1.6558 1.6579 1.8559 1.8582 2.3786 2.3843 2.5038 2.5045 2.6085 2.6113 3.2923 3.2965 3.4575 3.4598 3.4861 3.4877 3.8692 3.8760 4.0931 4.0966 4.5006 4.5013 4.6844 4.6864 5.6796 5.6806 5.7353 5.7354 12.7984 12.7993 12.8341 12.8413 13.6145 13.6151 13.6777 13.6794 14.3348 14.3351 14.4657 14.4663 k = 0.5000 0.3246 0.5800 ( 4570 PWs) bands (ev): -14.1338 -14.1338 -14.0856 -14.0854 -13.6230 -13.6229 -13.2227 -13.2220 -12.6030 -12.6027 -12.4135 -12.4120 -12.1622 -12.1597 -12.0028 -12.0026 -2.6447 -2.6443 -2.3163 -2.3145 -1.5637 -1.5636 -1.2034 -1.2019 -0.6182 -0.6169 -0.4156 -0.4145 0.2374 0.2374 0.2564 0.2590 1.1439 1.1441 1.2349 1.2355 1.6810 1.6832 1.8703 1.8727 2.3495 2.3554 2.4951 2.4957 2.5844 2.5873 3.3146 3.3191 3.4598 3.4620 3.4681 3.4695 3.8514 3.8582 4.1019 4.1054 4.4998 4.5005 4.6767 4.6787 5.6816 5.6826 5.7521 5.7522 12.8021 12.8032 12.8767 12.8844 13.6252 13.6258 13.6794 13.6808 14.3097 14.3103 14.4551 14.4557 k = 0.5000 0.3075 0.5800 ( 4574 PWs) bands (ev): -14.1323 -14.1323 -14.0980 -14.0978 -13.6191 -13.6189 -13.2376 -13.2369 -12.5978 -12.5976 -12.4064 -12.4050 -12.1539 -12.1516 -11.9942 -11.9940 -2.6654 -2.6650 -2.2998 -2.2980 -1.5474 -1.5472 -1.1679 -1.1664 -0.6439 -0.6424 -0.4385 -0.4372 0.2084 0.2086 0.2336 0.2362 1.1651 1.1653 1.2568 1.2573 1.7065 1.7090 1.8844 1.8870 2.3189 2.3249 2.4856 2.4860 2.5630 2.5658 3.3358 3.3404 3.4473 3.4484 3.4654 3.4675 3.8355 3.8424 4.1096 4.1132 4.4987 4.4993 4.6681 4.6701 5.6834 5.6844 5.7684 5.7685 12.8073 12.8085 12.9186 12.9264 13.6348 13.6354 13.6809 13.6820 14.2869 14.2876 14.4434 14.4440 k = 0.5000 0.2904 0.5800 ( 4572 PWs) bands (ev): -14.1310 -14.1310 -14.1106 -14.1105 -13.6147 -13.6146 -13.2518 -13.2512 -12.5924 -12.5921 -12.3991 -12.3977 -12.1462 -12.1439 -11.9859 -11.9857 -2.6853 -2.6849 -2.2835 -2.2818 -1.5306 -1.5303 -1.1332 -1.1315 -0.6685 -0.6667 -0.4615 -0.4600 0.1791 0.1795 0.2098 0.2122 1.1866 1.1869 1.2799 1.2803 1.7322 1.7348 1.8980 1.9008 2.2869 2.2930 2.4753 2.4755 2.5442 2.5469 3.3544 3.3591 3.4287 3.4301 3.4699 3.4724 3.8217 3.8287 4.1163 4.1198 4.4973 4.4979 4.6587 4.6606 5.6851 5.6861 5.7842 5.7843 12.8141 12.8153 12.9593 12.9672 13.6430 13.6436 13.6821 13.6828 14.2663 14.2672 14.4310 14.4316 k = 0.5000 0.2733 0.5800 ( 4568 PWs) bands (ev): -14.1300 -14.1300 -14.1233 -14.1232 -13.6102 -13.6101 -13.2653 -13.2647 -12.5867 -12.5864 -12.3917 -12.3903 -12.1391 -12.1368 -11.9781 -11.9778 -2.7044 -2.7040 -2.2674 -2.2657 -1.5134 -1.5130 -1.0996 -1.0976 -0.6913 -0.6893 -0.4844 -0.4827 0.1498 0.1503 0.1848 0.1872 1.2085 1.2088 1.3041 1.3044 1.7576 1.7603 1.9109 1.9139 2.2538 2.2600 2.4641 2.4643 2.5280 2.5304 3.3661 3.3703 3.4150 3.4170 3.4756 3.4782 3.8104 3.8175 4.1218 4.1252 4.4959 4.4964 4.6486 4.6504 5.6868 5.6877 5.7993 5.7994 12.8224 12.8235 12.9986 13.0067 13.6498 13.6503 13.6829 13.6834 14.2480 14.2491 14.4185 14.4191 k = 0.5000 0.2563 0.5800 ( 4564 PWs) bands (ev): -14.1358 -14.1357 -14.1292 -14.1292 -13.6056 -13.6055 -13.2781 -13.2776 -12.5808 -12.5806 -12.3842 -12.3828 -12.1324 -12.1303 -11.9706 -11.9704 -2.7227 -2.7223 -2.2515 -2.2499 -1.4958 -1.4953 -1.0676 -1.0655 -0.7116 -0.7093 -0.5072 -0.5052 0.1205 0.1213 0.1589 0.1612 1.2308 1.2312 1.3295 1.3297 1.7824 1.7853 1.9227 1.9261 2.2202 2.2264 2.4523 2.4523 2.5141 2.5164 3.3617 3.3642 3.4152 3.4190 3.4821 3.4848 3.8017 3.8087 4.1259 4.1293 4.4943 4.4948 4.6378 4.6396 5.6883 5.6893 5.8137 5.8139 12.8321 12.8331 13.0366 13.0446 13.6549 13.6554 13.6835 13.6836 14.2321 14.2334 14.4063 14.4068 k = 0.5000 0.2392 0.5800 ( 4568 PWs) bands (ev): -14.1480 -14.1479 -14.1286 -14.1286 -13.6012 -13.6010 -13.2902 -13.2897 -12.5749 -12.5746 -12.3767 -12.3753 -12.1263 -12.1242 -11.9636 -11.9633 -2.7401 -2.7397 -2.2361 -2.2345 -1.4780 -1.4774 -1.0384 -1.0359 -0.7284 -0.7258 -0.5296 -0.5275 0.0915 0.0924 0.1320 0.1343 1.2535 1.2539 1.3559 1.3561 1.8062 1.8093 1.9331 1.9368 2.1865 2.1929 2.4396 2.4398 2.5025 2.5045 3.3446 3.3463 3.4260 3.4306 3.4892 3.4920 3.7957 3.8027 4.1288 4.1321 4.4928 4.4933 4.6264 4.6281 5.6899 5.6907 5.8274 5.8276 12.8430 12.8440 13.0729 13.0809 13.6583 13.6588 13.6834 13.6836 14.2185 14.2199 14.3946 14.3951 k = 0.5000 0.2221 0.5800 ( 4570 PWs) bands (ev): -14.1598 -14.1597 -14.1282 -14.1282 -13.5968 -13.5967 -13.3015 -13.3010 -12.5689 -12.5686 -12.3692 -12.3679 -12.1208 -12.1188 -11.9570 -11.9567 -2.7565 -2.7562 -2.2211 -2.2196 -1.4600 -1.4594 -1.0130 -1.0103 -0.7403 -0.7373 -0.5517 -0.5494 0.0629 0.0639 0.1042 0.1065 1.2767 1.2772 1.3834 1.3835 1.8288 1.8320 1.9413 1.9454 2.1538 2.1604 2.4263 2.4267 2.4928 2.4945 3.3238 3.3251 3.4385 3.4435 3.4969 3.4998 3.7924 3.7993 4.1305 4.1336 4.4913 4.4918 4.6145 4.6162 5.6913 5.6922 5.8403 5.8404 12.8550 12.8559 13.1075 13.1155 13.6599 13.6604 13.6828 13.6834 14.2072 14.2088 14.3839 14.3843 k = 0.5000 0.2050 0.5800 ( 4570 PWs) bands (ev): -14.1710 -14.1710 -14.1280 -14.1280 -13.5927 -13.5926 -13.3120 -13.3116 -12.5630 -12.5627 -12.3619 -12.3607 -12.1158 -12.1138 -11.9508 -11.9505 -2.7719 -2.7716 -2.2066 -2.2052 -1.4420 -1.4413 -0.9931 -0.9901 -0.7456 -0.7423 -0.5731 -0.5707 0.0349 0.0361 0.0758 0.0780 1.3004 1.3009 1.4117 1.4117 1.8498 1.8531 1.9461 1.9507 2.1234 2.1303 2.4127 2.4132 2.4847 2.4863 3.3022 3.3033 3.4499 3.4550 3.5050 3.5079 3.7919 3.7986 4.1309 4.1340 4.4900 4.4904 4.6024 4.6040 5.6927 5.6936 5.8523 5.8525 12.8679 12.8688 13.1403 13.1481 13.6598 13.6603 13.6819 13.6828 14.1981 14.1998 14.3742 14.3746 k = 0.5000 0.1879 0.5800 ( 4566 PWs) bands (ev): -14.1816 -14.1816 -14.1279 -14.1279 -13.5889 -13.5888 -13.3218 -13.3214 -12.5572 -12.5569 -12.3549 -12.3536 -12.1112 -12.1094 -11.9451 -11.9448 -2.7863 -2.7860 -2.1927 -2.1915 -1.4241 -1.4233 -0.9800 -0.9770 -0.7427 -0.7393 -0.5939 -0.5914 0.0078 0.0091 0.0466 0.0488 1.3247 1.3252 1.4406 1.4407 1.8688 1.8723 1.9458 1.9507 2.0974 2.1044 2.3987 2.3995 2.4782 2.4796 3.2809 3.2817 3.4595 3.4645 3.5134 3.5162 3.7939 3.8004 4.1302 4.1332 4.4888 4.4892 4.5900 4.5917 5.6941 5.6949 5.8635 5.8637 12.8817 12.8825 13.1710 13.1786 13.6580 13.6585 13.6807 13.6819 14.1909 14.1927 14.3658 14.3661 k = 0.5000 0.1708 0.5800 ( 4560 PWs) bands (ev): -14.1915 -14.1915 -14.1278 -14.1278 -13.5854 -13.5853 -13.3307 -13.3304 -12.5516 -12.5513 -12.3481 -12.3469 -12.1072 -12.1055 -11.9398 -11.9396 -2.7995 -2.7993 -2.1796 -2.1785 -1.4064 -1.4056 -0.9740 -0.9712 -0.7314 -0.7280 -0.6138 -0.6112 -0.0182 -0.0168 0.0170 0.0190 1.3496 1.3502 1.4701 1.4702 1.8855 1.8891 1.9380 1.9427 2.0786 2.0851 2.3848 2.3858 2.4730 2.4742 3.2603 3.2610 3.4671 3.4719 3.5219 3.5246 3.7983 3.8044 4.1286 4.1314 4.4877 4.4880 4.5777 4.5793 5.6954 5.6961 5.8738 5.8740 12.8959 12.8966 13.1995 13.2069 13.6546 13.6551 13.6793 13.6808 14.1856 14.1875 14.3586 14.3588 k = 0.5000 0.1538 0.5800 ( 4564 PWs) bands (ev): -14.2006 -14.2006 -14.1279 -14.1279 -13.5822 -13.5821 -13.3389 -13.3386 -12.5463 -12.5461 -12.3416 -12.3405 -12.1037 -12.1021 -11.9350 -11.9348 -2.8117 -2.8115 -2.1674 -2.1663 -1.3893 -1.3884 -0.9740 -0.9714 -0.7127 -0.7096 -0.6327 -0.6301 -0.0428 -0.0415 -0.0131 -0.0110 1.3752 1.3757 1.4998 1.5000 1.8992 1.9031 1.9219 1.9256 2.0682 2.0738 2.3712 2.3724 2.4689 2.4699 3.2408 3.2413 3.4727 3.4772 3.5303 3.5329 3.8046 3.8102 4.1263 4.1289 4.4868 4.4871 4.5656 4.5671 5.6967 5.6973 5.8832 5.8833 12.9103 12.9110 13.2258 13.2329 13.6499 13.6503 13.6779 13.6796 14.1819 14.1838 14.3527 14.3528 k = 0.5000 0.1367 0.5800 ( 4562 PWs) bands (ev): -14.2089 -14.2089 -14.1280 -14.1280 -13.5794 -13.5793 -13.3462 -13.3459 -12.5413 -12.5411 -12.3356 -12.3346 -12.1006 -12.0992 -11.9307 -11.9305 -2.8227 -2.8225 -2.1561 -2.1551 -1.3728 -1.3718 -0.9780 -0.9759 -0.6889 -0.6861 -0.6504 -0.6478 -0.0659 -0.0645 -0.0432 -0.0413 1.4014 1.4019 1.5295 1.5298 1.8965 1.9003 1.9119 1.9147 2.0648 2.0692 2.3582 2.3595 2.4657 2.4666 3.2227 3.2231 3.4767 3.4807 3.5385 3.5410 3.8122 3.8174 4.1234 4.1258 4.4860 4.4863 4.5539 4.5553 5.6978 5.6984 5.8916 5.8917 12.9247 12.9253 13.2497 13.2563 13.6441 13.6445 13.6764 13.6782 14.1796 14.1814 14.3479 14.3480 k = 0.5000 0.1196 0.5800 ( 4562 PWs) bands (ev): -14.2163 -14.2163 -14.1281 -14.1281 -13.5768 -13.5768 -13.3527 -13.3524 -12.5368 -12.5366 -12.3301 -12.3292 -12.0980 -12.0967 -11.9269 -11.9267 -2.8324 -2.8323 -2.1458 -2.1449 -1.3572 -1.3562 -0.9843 -0.9825 -0.6670 -0.6653 -0.6608 -0.6591 -0.0870 -0.0857 -0.0733 -0.0714 1.4283 1.4288 1.5589 1.5593 1.8684 1.8709 1.9192 1.9224 2.0655 2.0689 2.3462 2.3475 2.4632 2.4641 3.2063 3.2066 3.4793 3.4828 3.5464 3.5486 3.8207 3.8253 4.1201 4.1222 4.4853 4.4855 4.5428 4.5442 5.6989 5.6994 5.8991 5.8992 12.9387 12.9393 13.2711 13.2772 13.6375 13.6379 13.6749 13.6769 14.1783 14.1800 14.3442 14.3442 k = 0.5000 0.1025 0.5800 ( 4552 PWs) bands (ev): -14.2228 -14.2228 -14.1283 -14.1283 -13.5747 -13.5746 -13.3583 -13.3581 -12.5327 -12.5325 -12.3251 -12.3243 -12.0957 -12.0946 -11.9236 -11.9234 -2.8410 -2.8408 -2.1367 -2.1359 -1.3428 -1.3419 -0.9915 -0.9900 -0.6816 -0.6794 -0.6331 -0.6310 -0.1064 -0.1052 -0.1025 -0.1007 1.4558 1.4564 1.5874 1.5879 1.8371 1.8389 1.9237 1.9268 2.0682 2.0708 2.3355 2.3368 2.4615 2.4621 3.1917 3.1920 3.4807 3.4838 3.5537 3.5557 3.8295 3.8335 4.1167 4.1186 4.4847 4.4849 4.5326 4.5338 5.6999 5.7003 5.9056 5.9057 12.9520 12.9525 13.2899 13.2954 13.6306 13.6309 13.6737 13.6756 14.1779 14.1795 14.3414 14.3414 k = 0.5000 0.0854 0.5800 ( 4552 PWs) bands (ev): -14.2283 -14.2283 -14.1285 -14.1285 -13.5728 -13.5728 -13.3631 -13.3629 -12.5292 -12.5290 -12.3208 -12.3201 -12.0938 -12.0929 -11.9208 -11.9206 -2.8482 -2.8481 -2.1288 -2.1281 -1.3298 -1.3290 -0.9986 -0.9974 -0.6946 -0.6926 -0.6045 -0.6026 -0.1318 -0.1305 -0.1219 -0.1211 1.4842 1.4847 1.6145 1.6151 1.8043 1.8057 1.9251 1.9280 2.0716 2.0736 2.3264 2.3277 2.4602 2.4607 3.1791 3.1793 3.4814 3.4840 3.5603 3.5620 3.8381 3.8414 4.1133 4.1150 4.4841 4.4844 4.5235 4.5246 5.7007 5.7011 5.9111 5.9112 12.9641 12.9645 13.3060 13.3108 13.6237 13.6240 13.6726 13.6744 14.1781 14.1795 14.3393 14.3394 k = 0.5000 0.0683 0.5800 ( 4550 PWs) bands (ev): -14.2329 -14.2329 -14.1286 -14.1286 -13.5713 -13.5713 -13.3670 -13.3668 -12.5262 -12.5261 -12.3172 -12.3166 -12.0923 -12.0916 -11.9184 -11.9183 -2.8542 -2.8541 -2.1221 -2.1216 -1.3187 -1.3179 -1.0050 -1.0041 -0.7056 -0.7038 -0.5770 -0.5754 -0.1587 -0.1574 -0.1360 -0.1352 1.5132 1.5137 1.6395 1.6401 1.7709 1.7720 1.9238 1.9264 2.0749 2.0764 2.3190 2.3201 2.4593 2.4597 3.1687 3.1688 3.4817 3.4837 3.5661 3.5674 3.8458 3.8486 4.1103 4.1117 4.4837 4.4839 4.5157 4.5166 5.7015 5.7018 5.9156 5.9156 12.9748 12.9751 13.3193 13.3233 13.6173 13.6176 13.6717 13.6733 14.1787 14.1798 14.3379 14.3379 k = 0.5000 0.0513 0.5800 ( 4548 PWs) bands (ev): -14.2364 -14.2364 -14.1287 -14.1287 -13.5702 -13.5701 -13.3700 -13.3699 -12.5238 -12.5238 -12.3143 -12.3139 -12.0912 -12.0906 -11.9166 -11.9165 -2.8589 -2.8588 -2.1169 -2.1165 -1.3096 -1.3090 -1.0103 -1.0096 -0.7144 -0.7130 -0.5522 -0.5508 -0.1827 -0.1816 -0.1470 -0.1464 1.5428 1.5434 1.6613 1.6618 1.7375 1.7384 1.9206 1.9227 2.0778 2.0789 2.3135 2.3143 2.4587 2.4591 3.1605 3.1606 3.4817 3.4832 3.5707 3.5718 3.8525 3.8545 4.1078 4.1088 4.4832 4.4834 4.5095 4.5102 5.7020 5.7023 5.9191 5.9192 12.9835 12.9838 13.3299 13.3330 13.6118 13.6120 13.6711 13.6724 14.1793 14.1802 14.3370 14.3370 k = 0.5000 0.0342 0.5800 ( 4548 PWs) bands (ev): -14.2390 -14.2390 -14.1288 -14.1288 -13.5693 -13.5693 -13.3722 -13.3721 -12.5221 -12.5221 -12.3122 -12.3119 -12.0903 -12.0899 -11.9153 -11.9153 -2.8622 -2.8622 -2.1131 -2.1129 -1.3028 -1.3024 -1.0142 -1.0138 -0.7207 -0.7198 -0.5318 -0.5308 -0.2023 -0.2014 -0.1550 -0.1545 1.5730 1.5735 1.6785 1.6790 1.7045 1.7054 1.9167 1.9182 2.0801 2.0808 2.3096 2.3102 2.4584 2.4586 3.1546 3.1546 3.4816 3.4826 3.5742 3.5749 3.8575 3.8589 4.1059 4.1066 4.4828 4.4829 4.5050 4.5055 5.7025 5.7026 5.9216 5.9217 12.9901 12.9902 13.3376 13.3397 13.6076 13.6078 13.6708 13.6716 14.1800 14.1806 14.3364 14.3364 k = 0.5000 0.0171 0.5800 ( 4550 PWs) bands (ev): -14.2405 -14.2405 -14.1289 -14.1289 -13.5689 -13.5688 -13.3735 -13.3735 -12.5211 -12.5211 -12.3109 -12.3107 -12.0898 -12.0896 -11.9145 -11.9145 -2.8642 -2.8642 -2.1108 -2.1107 -1.2986 -1.2984 -1.0165 -1.0163 -0.7245 -0.7240 -0.5180 -0.5175 -0.2152 -0.2147 -0.1598 -0.1595 1.6031 1.6036 1.6727 1.6732 1.6901 1.6903 1.9136 1.9144 2.0816 2.0819 2.3074 2.3078 2.4582 2.4583 3.1510 3.1510 3.4816 3.4821 3.5765 3.5768 3.8608 3.8615 4.1048 4.1051 4.4826 4.4826 4.5024 4.5027 5.7027 5.7028 5.9231 5.9232 12.9941 12.9942 13.3425 13.3435 13.6050 13.6050 13.6707 13.6711 14.1805 14.1808 14.3361 14.3361 k = 0.5000-0.0000 0.5800 ( 4552 PWs) bands (ev): -14.2410 -14.2410 -14.1289 -14.1289 -13.5687 -13.5687 -13.3739 -13.3739 -12.5207 -12.5207 -12.3104 -12.3104 -12.0895 -12.0895 -11.9143 -11.9143 -2.8649 -2.8649 -2.1100 -2.1100 -1.2971 -1.2971 -1.0173 -1.0173 -0.7256 -0.7256 -0.5130 -0.5130 -0.2197 -0.2197 -0.1613 -0.1613 1.6248 1.6248 1.6509 1.6509 1.6941 1.6941 1.9127 1.9127 2.0822 2.0822 2.3068 2.3068 2.4582 2.4582 3.1498 3.1498 3.4817 3.4817 3.5773 3.5773 3.8622 3.8622 4.1045 4.1045 4.4825 4.4825 4.5016 4.5016 5.7029 5.7029 5.9236 5.9236 12.9955 12.9955 13.3445 13.3445 13.6041 13.6041 13.6708 13.6708 14.1808 14.1808 14.3360 14.3360 k = 0.5000-0.0000 0.5800 ( 4552 PWs) bands (ev): -14.2410 -14.2410 -14.1289 -14.1289 -13.5687 -13.5687 -13.3739 -13.3739 -12.5207 -12.5207 -12.3104 -12.3104 -12.0895 -12.0895 -11.9143 -11.9143 -2.8649 -2.8649 -2.1100 -2.1100 -1.2971 -1.2971 -1.0173 -1.0173 -0.7256 -0.7256 -0.5130 -0.5130 -0.2197 -0.2197 -0.1613 -0.1613 1.6248 1.6248 1.6509 1.6509 1.6941 1.6941 1.9127 1.9127 2.0822 2.0822 2.3068 2.3068 2.4582 2.4582 3.1498 3.1498 3.4817 3.4817 3.5773 3.5773 3.8622 3.8622 4.1045 4.1045 4.4825 4.4825 4.5016 4.5016 5.7029 5.7029 5.9236 5.9236 12.9955 12.9955 13.3445 13.3445 13.6041 13.6041 13.6708 13.6708 14.1808 14.1808 14.3360 14.3360 k = 0.5000-0.0000 0.5624 ( 4552 PWs) bands (ev): -14.2424 -14.2424 -14.1301 -14.1301 -13.5667 -13.5667 -13.3723 -13.3722 -12.5207 -12.5207 -12.3103 -12.3103 -12.0899 -12.0899 -11.9150 -11.9149 -2.8645 -2.8645 -2.1118 -2.1116 -1.2999 -1.2995 -1.0179 -1.0178 -0.7220 -0.7220 -0.5131 -0.5128 -0.2202 -0.2198 -0.1599 -0.1594 1.5754 1.5756 1.6926 1.6931 1.6980 1.6994 1.9130 1.9134 2.0828 2.0840 2.3064 2.3073 2.4594 2.4598 3.1515 3.1516 3.4806 3.4807 3.5768 3.5769 3.8623 3.8628 4.1042 4.1047 4.4824 4.4825 4.5016 4.5017 5.7025 5.7026 5.9227 5.9230 12.9918 12.9918 13.3159 13.3196 13.6076 13.6079 13.6925 13.6957 14.1798 14.1804 14.3362 14.3366 k = 0.5000-0.0000 0.5448 ( 4546 PWs) bands (ev): -14.2464 -14.2464 -14.1335 -14.1335 -13.5607 -13.5607 -13.3674 -13.3672 -12.5206 -12.5206 -12.3102 -12.3101 -12.0912 -12.0911 -11.9170 -11.9170 -2.8631 -2.8631 -2.1171 -2.1167 -1.3074 -1.3067 -1.0198 -1.0196 -0.7114 -0.7114 -0.5132 -0.5126 -0.2213 -0.2207 -0.1552 -0.1543 1.5147 1.5147 1.6899 1.6917 1.7520 1.7536 1.9144 1.9151 2.0869 2.0892 2.3060 2.3077 2.4633 2.4641 3.1567 3.1569 3.4772 3.4774 3.5753 3.5756 3.8630 3.8642 4.1037 4.1046 4.4824 4.4824 4.5015 4.5017 5.7014 5.7016 5.9200 5.9206 12.9809 12.9810 13.2503 13.2559 13.6182 13.6189 13.7457 13.7503 14.1782 14.1794 14.3373 14.3382 k = 0.5000-0.0000 0.5273 ( 4554 PWs) bands (ev): -14.2529 -14.2529 -14.1391 -14.1391 -13.5510 -13.5510 -13.3593 -13.3591 -12.5205 -12.5204 -12.3099 -12.3097 -12.0932 -12.0931 -11.9204 -11.9203 -2.8609 -2.8609 -2.1258 -2.1252 -1.3190 -1.3181 -1.0228 -1.0225 -0.6948 -0.6947 -0.5133 -0.5124 -0.2232 -0.2222 -0.1472 -0.1459 1.4535 1.4537 1.6852 1.6879 1.7995 1.8017 1.9171 1.9181 2.0967 2.1002 2.3059 2.3084 2.4699 2.4711 3.1651 3.1654 3.4718 3.4721 3.5729 3.5733 3.8645 3.8661 4.1029 4.1043 4.4822 4.4823 4.5014 4.5017 5.6996 5.6999 5.9157 5.9166 12.9637 12.9638 13.1675 13.1740 13.6350 13.6360 13.8072 13.8120 14.1790 14.1809 14.3394 14.3406 k = 0.5000-0.0000 0.5097 ( 4554 PWs) bands (ev): -14.2617 -14.2617 -14.1468 -14.1467 -13.5377 -13.5377 -13.3482 -13.3479 -12.5202 -12.5201 -12.3095 -12.3092 -12.0960 -12.0959 -11.9251 -11.9250 -2.8579 -2.8579 -2.1378 -2.1369 -1.3336 -1.3326 -1.0270 -1.0266 -0.6732 -0.6731 -0.5133 -0.5121 -0.2256 -0.2243 -0.1360 -0.1343 1.3930 1.3933 1.6786 1.6820 1.8360 1.8388 1.9213 1.9226 2.1160 2.1206 2.3062 2.3094 2.4790 2.4806 3.1764 3.1767 3.4647 3.4649 3.5696 3.5701 3.8664 3.8686 4.1020 4.1038 4.4820 4.4821 4.5013 4.5016 5.6971 5.6976 5.9097 5.9110 12.9413 12.9413 13.0770 13.0839 13.6568 13.6582 13.8623 13.8668 14.1876 14.1904 14.3424 14.3441 k = 0.5000-0.0000 0.4921 ( 4554 PWs) bands (ev): -14.2724 -14.2724 -14.1562 -14.1561 -13.5211 -13.5211 -13.3343 -13.3340 -12.5199 -12.5198 -12.3090 -12.3087 -12.0995 -12.0994 -11.9312 -11.9311 -2.8540 -2.8540 -2.1529 -2.1519 -1.3503 -1.3491 -1.0323 -1.0319 -0.6479 -0.6477 -0.5133 -0.5119 -0.2285 -0.2268 -0.1215 -0.1193 1.3337 1.3341 1.6696 1.6737 1.8586 1.8615 1.9272 1.9288 2.1477 2.1529 2.3072 2.3110 2.4905 2.4924 3.1900 3.1904 3.4561 3.4564 3.5656 3.5662 3.8689 3.8715 4.1007 4.1030 4.4818 4.4818 4.5011 4.5014 5.6940 5.6946 5.9020 5.9036 12.9148 12.9149 12.9828 12.9899 13.6825 13.6842 13.9006 13.9044 14.2113 14.2150 14.3464 14.3485 k = 0.5000-0.0000 0.4745 ( 4548 PWs) bands (ev): -14.2848 -14.2848 -14.1671 -14.1671 -13.5016 -13.5016 -13.3179 -13.3175 -12.5196 -12.5194 -12.3083 -12.3080 -12.1039 -12.1038 -11.9386 -11.9384 -2.8493 -2.8493 -2.1710 -2.1698 -1.3682 -1.3669 -1.0388 -1.0383 -0.6202 -0.6198 -0.5134 -0.5116 -0.2318 -0.2298 -0.1037 -0.1011 1.2759 1.2763 1.6581 1.6628 1.8676 1.8702 1.9350 1.9368 2.1913 2.1967 2.3092 2.3135 2.5045 2.5067 3.2052 3.2057 3.4466 3.4469 3.5608 3.5614 3.8718 3.8748 4.0992 4.1019 4.4814 4.4815 4.5007 4.5011 5.6902 5.6909 5.8928 5.8947 12.8815 12.8854 12.8906 12.8940 13.7108 13.7128 13.9172 13.9203 14.2536 14.2580 14.3516 14.3541 k = 0.5000-0.0000 0.4570 ( 4548 PWs) bands (ev): -14.2985 -14.2985 -14.1793 -14.1793 -13.4795 -13.4795 -13.2992 -13.2988 -12.5191 -12.5189 -12.3076 -12.3072 -12.1090 -12.1089 -11.9473 -11.9471 -2.8438 -2.8438 -2.1918 -2.1904 -1.3863 -1.3850 -1.0463 -1.0458 -0.5911 -0.5904 -0.5135 -0.5114 -0.2353 -0.2330 -0.0827 -0.0797 1.2198 1.2203 1.6439 1.6491 1.8659 1.8681 1.9448 1.9468 2.2428 2.2485 2.3125 2.3170 2.5212 2.5237 3.2211 3.2215 3.4370 3.4373 3.5553 3.5560 3.8749 3.8783 4.0974 4.1005 4.4810 4.4810 4.5002 4.5006 5.6859 5.6867 5.8819 5.8841 12.7893 12.7972 12.8540 12.8544 13.7406 13.7430 13.9152 13.9179 14.3107 14.3155 14.3581 14.3609 k = 0.5000-0.0000 0.4394 ( 4554 PWs) bands (ev): -14.3133 -14.3133 -14.1926 -14.1926 -13.4552 -13.4552 -13.2786 -13.2781 -12.5187 -12.5184 -12.3069 -12.3064 -12.1149 -12.1147 -11.9573 -11.9571 -2.8376 -2.8376 -2.2151 -2.2135 -1.4044 -1.4030 -1.0549 -1.0543 -0.5613 -0.5604 -0.5136 -0.5112 -0.2391 -0.2364 -0.0587 -0.0553 1.1657 1.1663 1.6272 1.6327 1.8568 1.8586 1.9566 1.9587 2.2969 2.3038 2.3184 2.3219 2.5414 2.5441 3.2363 3.2368 3.4283 3.4287 3.5492 3.5499 3.8781 3.8820 4.0951 4.0986 4.4804 4.4805 4.4995 4.4999 5.6810 5.6820 5.8695 5.8720 12.6927 12.7005 12.8211 12.8214 13.7713 13.7740 13.9013 13.9037 14.3638 14.3680 14.3783 14.3822 k = 0.5000-0.0000 0.4218 ( 4554 PWs) bands (ev): -14.3288 -14.3288 -14.2067 -14.2067 -13.4288 -13.4288 -13.2561 -13.2556 -12.5182 -12.5179 -12.3061 -12.3055 -12.1215 -12.1213 -11.9686 -11.9683 -2.8306 -2.8306 -2.2405 -2.2387 -1.4218 -1.4205 -1.0644 -1.0638 -0.5316 -0.5305 -0.5136 -0.5111 -0.2428 -0.2399 -0.0319 -0.0281 1.1139 1.1145 1.6081 1.6137 1.8427 1.8441 1.9705 1.9726 2.3207 2.3274 2.3559 2.3595 2.5663 2.5693 3.2490 3.2494 3.4224 3.4227 3.5428 3.5434 3.8816 3.8857 4.0924 4.0963 4.4797 4.4798 4.4985 4.4989 5.6757 5.6767 5.8555 5.8583 12.5966 12.6043 12.7875 12.7877 13.8020 13.8050 13.8802 13.8826 14.3739 14.3778 14.4464 14.4508 k = 0.5000-0.0000 0.4042 ( 4560 PWs) bands (ev): -14.3448 -14.3448 -14.2214 -14.2214 -13.4007 -13.4007 -13.2322 -13.2316 -12.5176 -12.5173 -12.3053 -12.3047 -12.1288 -12.1286 -11.9811 -11.9808 -2.8231 -2.8231 -2.2677 -2.2658 -1.4384 -1.4372 -1.0748 -1.0742 -0.5148 -0.5116 -0.5018 -0.5002 -0.2465 -0.2432 -0.0027 0.0014 1.0646 1.0652 1.5867 1.5924 1.8253 1.8264 1.9862 1.9882 2.3285 2.3349 2.4067 2.4106 2.5983 2.6012 3.2570 3.2574 3.4211 3.4214 3.5360 3.5366 3.8851 3.8895 4.0892 4.0935 4.4788 4.4790 4.4971 4.4975 5.6698 5.6710 5.8400 5.8431 12.5015 12.5092 12.7535 12.7537 13.8320 13.8353 13.8553 13.8576 14.3844 14.3885 14.5160 14.5202 k = 0.5000-0.0000 0.3867 ( 4558 PWs) bands (ev): -14.3611 -14.3611 -14.2365 -14.2364 -13.3711 -13.3711 -13.2070 -13.2063 -12.5171 -12.5167 -12.3046 -12.3038 -12.1367 -12.1366 -11.9949 -11.9946 -2.8149 -2.8149 -2.2964 -2.2944 -1.4541 -1.4529 -1.0861 -1.0854 -0.5151 -0.5116 -0.4735 -0.4717 -0.2500 -0.2464 0.0285 0.0329 1.0180 1.0186 1.5634 1.5691 1.8056 1.8064 2.0035 2.0055 2.3372 2.3436 2.4508 2.4541 2.6395 2.6420 3.2582 3.2587 3.4262 3.4266 3.5291 3.5296 3.8887 3.8934 4.0855 4.0901 4.4776 4.4780 4.4952 4.4956 5.6636 5.6648 5.8230 5.8264 12.4078 12.4154 12.7197 12.7199 13.8278 13.8300 13.8614 13.8650 14.3963 14.4007 14.5845 14.5884 k = 0.5000-0.0000 0.3691 ( 4556 PWs) bands (ev): -14.3775 -14.3774 -14.2518 -14.2517 -13.3402 -13.3402 -13.1806 -13.1800 -12.5165 -12.5161 -12.3039 -12.3031 -12.1453 -12.1452 -12.0099 -12.0095 -2.8062 -2.8062 -2.3261 -2.3240 -1.4687 -1.4676 -1.0981 -1.0974 -0.5157 -0.5120 -0.4459 -0.4439 -0.2532 -0.2493 0.0611 0.0657 0.9744 0.9750 1.5386 1.5441 1.7844 1.7850 2.0223 2.0242 2.3472 2.3536 2.4864 2.4889 2.6903 2.6922 3.2526 3.2531 3.4378 3.4383 3.5223 3.5227 3.8925 3.8973 4.0812 4.0861 4.4762 4.4768 4.4929 4.4933 5.6570 5.6584 5.8047 5.8084 12.3159 12.3234 12.6862 12.6864 13.7995 13.8017 13.8891 13.8930 14.4097 14.4144 14.6506 14.6543 k = 0.5000-0.0000 0.3515 ( 4558 PWs) bands (ev): -14.3938 -14.3938 -14.2671 -14.2671 -13.3082 -13.3082 -13.1534 -13.1527 -12.5159 -12.5154 -12.3033 -12.3024 -12.1544 -12.1544 -12.0260 -12.0256 -2.7971 -2.7971 -2.3566 -2.3545 -1.4824 -1.4813 -1.1107 -1.1101 -0.5165 -0.5125 -0.4194 -0.4172 -0.2559 -0.2519 0.0944 0.0991 0.9341 0.9347 1.5125 1.5179 1.7621 1.7625 2.0423 2.0440 2.3584 2.3648 2.5145 2.5163 2.7484 2.7497 3.2412 3.2418 3.4544 3.4552 3.5159 3.5160 3.8965 3.9014 4.0762 4.0815 4.4745 4.4752 4.4901 4.4904 5.6502 5.6516 5.7851 5.7890 12.2260 12.2334 12.6533 12.6535 13.7708 13.7729 13.9151 13.9192 14.4247 14.4296 14.7139 14.7173 k = 0.5000-0.0000 0.3339 ( 4564 PWs) bands (ev): -14.4099 -14.4099 -14.2823 -14.2823 -13.2753 -13.2752 -13.1254 -13.1247 -12.5153 -12.5148 -12.3031 -12.3020 -12.1641 -12.1641 -12.0433 -12.0428 -2.7875 -2.7875 -2.3876 -2.3854 -1.4950 -1.4939 -1.1239 -1.1232 -0.5174 -0.5133 -0.3938 -0.3915 -0.2583 -0.2540 0.1276 0.1323 0.8975 0.8981 1.4856 1.4907 1.7392 1.7395 2.0632 2.0648 2.3706 2.3771 2.5373 2.5385 2.8112 2.8120 3.2258 3.2265 3.4741 3.4753 3.5099 3.5104 3.9007 3.9058 4.0707 4.0762 4.4723 4.4733 4.4866 4.4868 5.6431 5.6446 5.7642 5.7683 12.1384 12.1457 12.6213 12.6214 13.7422 13.7443 13.9393 13.9436 14.4412 14.4462 14.7738 14.7769 k = 0.5000-0.0000 0.3164 ( 4562 PWs) bands (ev): -14.4257 -14.4256 -14.2973 -14.2973 -13.2415 -13.2414 -13.0969 -13.0960 -12.5147 -12.5142 -12.3031 -12.3019 -12.1742 -12.1741 -12.0617 -12.0612 -2.7777 -2.7777 -2.4186 -2.4164 -1.5066 -1.5056 -1.1375 -1.1369 -0.5185 -0.5142 -0.3693 -0.3668 -0.2601 -0.2557 0.1597 0.1645 0.8651 0.8656 1.4581 1.4630 1.7160 1.7162 2.0848 2.0863 2.3838 2.3903 2.5565 2.5572 2.8762 2.8767 3.2077 3.2086 3.4936 3.4969 3.5049 3.5077 3.9054 3.9105 4.0645 4.0702 4.4697 4.4709 4.4825 4.4826 5.6360 5.6375 5.7423 5.7466 12.0535 12.0606 12.5902 12.5903 13.7141 13.7161 13.9616 13.9660 14.4592 14.4642 14.8302 14.8330 k = 0.5000-0.0000 0.2988 ( 4556 PWs) bands (ev): -14.4410 -14.4410 -14.3119 -14.3119 -13.2071 -13.2070 -13.0679 -13.0670 -12.5142 -12.5136 -12.3036 -12.3023 -12.1845 -12.1844 -12.0811 -12.0806 -2.7676 -2.7676 -2.4495 -2.4473 -1.5173 -1.5164 -1.1514 -1.1508 -0.5197 -0.5152 -0.3457 -0.3432 -0.2615 -0.2569 0.1900 0.1947 0.8373 0.8378 1.4303 1.4350 1.6928 1.6929 2.1068 2.1082 2.3977 2.4043 2.5732 2.5736 2.9418 2.9420 3.1880 3.1890 3.4987 3.5002 3.5203 3.5214 3.9107 3.9158 4.0577 4.0636 4.4664 4.4678 4.4777 4.4779 5.6287 5.6304 5.7193 5.7239 11.9715 11.9783 12.5603 12.5604 13.6868 13.6888 13.9819 13.9863 14.4784 14.4834 14.8828 14.8854 k = 0.5000-0.0000 0.2812 ( 4560 PWs) bands (ev): -14.4558 -14.4558 -14.3262 -14.3261 -13.1722 -13.1720 -13.0386 -13.0376 -12.5137 -12.5130 -12.3049 -12.3034 -12.1949 -12.1946 -12.1016 -12.1010 -2.7574 -2.7574 -2.4798 -2.4777 -1.5272 -1.5263 -1.1656 -1.1650 -0.5209 -0.5164 -0.3230 -0.3204 -0.2623 -0.2577 0.2173 0.2219 0.8147 0.8151 1.4027 1.4072 1.6698 1.6698 2.1291 2.1304 2.4123 2.4189 2.5880 2.5881 3.0065 3.0065 3.1673 3.1684 3.4978 3.4981 3.5426 3.5429 3.9168 3.9218 4.0502 4.0563 4.4622 4.4638 4.4724 4.4726 5.6215 5.6232 5.6956 5.7003 11.8926 11.8992 12.5316 12.5317 13.6605 13.6624 14.0003 14.0047 14.4987 14.5036 14.9316 14.9340 k = 0.5000-0.0000 0.2636 ( 4552 PWs) bands (ev): -14.4700 -14.4700 -14.3399 -14.3398 -13.1368 -13.1366 -13.0090 -13.0081 -12.5133 -12.5126 -12.3071 -12.3054 -12.2051 -12.2047 -12.1230 -12.1224 -2.7471 -2.7471 -2.5095 -2.5074 -1.5362 -1.5354 -1.1798 -1.1792 -0.5221 -0.5176 -0.3011 -0.2986 -0.2628 -0.2581 0.2407 0.2451 0.7978 0.7981 1.3755 1.3797 1.6472 1.6472 2.1515 2.1525 2.4274 2.4340 2.6012 2.6012 3.0689 3.0692 3.1461 3.1474 3.4985 3.4989 3.5643 3.5643 3.9240 3.9288 4.0422 4.0484 4.4569 4.4584 4.4667 4.4672 5.6143 5.6160 5.6712 5.6760 11.8171 11.8234 12.5043 12.5044 13.6354 13.6372 14.0168 14.0212 14.5199 14.5246 14.9764 14.9788 k = 0.5000-0.0000 0.2461 ( 4546 PWs) bands (ev): -14.4835 -14.4835 -14.3530 -14.3529 -13.1010 -13.1009 -12.9794 -12.9784 -12.5131 -12.5122 -12.3106 -12.3088 -12.2147 -12.2141 -12.1453 -12.1447 -2.7368 -2.7368 -2.5382 -2.5361 -1.5445 -1.5438 -1.1939 -1.1934 -0.5233 -0.5188 -0.2802 -0.2777 -0.2627 -0.2581 0.2593 0.2635 0.7870 0.7872 1.3489 1.3528 1.6252 1.6253 2.1737 2.1746 2.4426 2.4492 2.6130 2.6131 3.1223 3.1232 3.1308 3.1308 3.5024 3.5034 3.5846 3.5846 3.9323 3.9369 4.0337 4.0399 4.4502 4.4514 4.4606 4.4616 5.6073 5.6090 5.6463 5.6513 11.7452 11.7512 12.4784 12.4785 13.6116 13.6133 14.0317 14.0359 14.5417 14.5463 15.0173 15.0196 k = 0.5000-0.0000 0.2285 ( 4546 PWs) bands (ev): -14.4963 -14.4963 -14.3654 -14.3654 -13.0650 -13.0648 -12.9499 -12.9488 -12.5130 -12.5120 -12.3157 -12.3138 -12.2233 -12.2226 -12.1685 -12.1678 -2.7267 -2.7267 -2.5657 -2.5637 -1.5521 -1.5515 -1.2079 -1.2074 -0.5244 -0.5200 -0.2639 -0.2603 -0.2586 -0.2552 0.2727 0.2766 0.7825 0.7825 1.3231 1.3268 1.6041 1.6042 2.1955 2.1963 2.4579 2.4645 2.6235 2.6238 3.1029 3.1046 3.1822 3.1831 3.5111 3.5129 3.6032 3.6033 3.9422 3.9465 4.0248 4.0310 4.4421 4.4430 4.4541 4.4557 5.6004 5.6022 5.6212 5.6263 11.6771 11.6829 12.4541 12.4541 13.5892 13.5908 14.0449 14.0490 14.5640 14.5682 15.0540 15.0563 k = 0.5000-0.0000 0.2109 ( 4542 PWs) bands (ev): -14.5084 -14.5084 -14.3771 -14.3771 -13.0289 -13.0287 -12.9204 -12.9193 -12.5130 -12.5120 -12.3229 -12.3208 -12.2306 -12.2298 -12.1924 -12.1916 -2.7167 -2.7167 -2.5919 -2.5900 -1.5591 -1.5584 -1.2215 -1.2210 -0.5254 -0.5212 -0.2625 -0.2583 -0.2401 -0.2376 0.2808 0.2844 0.7837 0.7839 1.2985 1.3019 1.5839 1.5841 2.2168 2.2174 2.4730 2.4796 2.6329 2.6332 3.0822 3.0840 3.2291 3.2303 3.5262 3.5287 3.6199 3.6199 3.9536 3.9575 4.0156 4.0219 4.4326 4.4332 4.4470 4.4491 5.5936 5.5945 5.5973 5.6016 11.6131 11.6186 12.4313 12.4314 13.5682 13.5698 14.0567 14.0605 14.5864 14.5903 15.0866 15.0890 k = 0.5000-0.0000 0.1933 ( 4542 PWs) bands (ev): -14.5196 -14.5196 -14.3880 -14.3880 -12.9927 -12.9924 -12.8912 -12.8901 -12.5134 -12.5123 -12.3322 -12.3301 -12.2364 -12.2356 -12.2169 -12.2161 -2.7071 -2.7071 -2.6165 -2.6147 -1.5653 -1.5648 -1.2346 -1.2342 -0.5263 -0.5222 -0.2617 -0.2577 -0.2217 -0.2192 0.2839 0.2872 0.7901 0.7904 1.2751 1.2783 1.5649 1.5651 2.2374 2.2379 2.4878 2.4943 2.6412 2.6416 3.0620 3.0639 3.2675 3.2691 3.5489 3.5522 3.6343 3.6345 3.9667 3.9702 4.0064 4.0127 4.4219 4.4223 4.4391 4.4416 5.5710 5.5758 5.5883 5.5897 11.5534 11.5585 12.4101 12.4102 13.5489 13.5503 14.0671 14.0708 14.6087 14.6123 15.1149 15.1174 k = 0.5000-0.0000 0.1758 ( 4548 PWs) bands (ev): -14.5299 -14.5299 -14.3982 -14.3982 -12.9565 -12.9562 -12.8624 -12.8612 -12.5141 -12.5129 -12.3436 -12.3414 -12.2423 -12.2418 -12.2398 -12.2395 -2.6980 -2.6980 -2.6395 -2.6378 -1.5710 -1.5705 -1.2472 -1.2468 -0.5270 -0.5231 -0.2609 -0.2571 -0.2041 -0.2017 0.2829 0.2859 0.8005 0.8010 1.2533 1.2561 1.5471 1.5473 2.2572 2.2574 2.5019 2.5083 2.6484 2.6488 3.0427 3.0448 3.2972 3.2989 3.5793 3.5832 3.6465 3.6468 3.9812 3.9840 3.9978 4.0037 4.4101 4.4103 4.4302 4.4331 5.5468 5.5516 5.5823 5.5838 11.4982 11.5029 12.3907 12.3907 13.5311 13.5324 14.0764 14.0797 14.6307 14.6339 15.1390 15.1415 k = 0.5000-0.0000 0.1582 ( 4552 PWs) bands (ev): -14.5394 -14.5393 -14.4074 -14.4074 -12.9205 -12.9202 -12.8340 -12.8328 -12.5153 -12.5139 -12.3567 -12.3546 -12.2674 -12.2664 -12.2435 -12.2428 -2.6893 -2.6893 -2.6606 -2.6591 -1.5761 -1.5757 -1.2590 -1.2586 -0.5275 -0.5239 -0.2601 -0.2565 -0.1875 -0.1852 0.2787 0.2814 0.8137 0.8143 1.2330 1.2356 1.5307 1.5309 2.2759 2.2760 2.5152 2.5214 2.6546 2.6549 3.0246 3.0267 3.3189 3.3206 3.6160 3.6203 3.6565 3.6571 3.9877 3.9925 4.0000 4.0013 4.3973 4.3973 4.4202 4.4233 5.5234 5.5281 5.5769 5.5784 11.4476 11.4519 12.3729 12.3730 13.5150 13.5162 14.0845 14.0876 14.6520 14.6549 15.1588 15.1614 k = 0.5000-0.0000 0.1406 ( 4544 PWs) bands (ev): -14.5479 -14.5479 -14.4158 -14.4158 -12.8847 -12.8843 -12.8063 -12.8051 -12.5172 -12.5157 -12.3713 -12.3693 -12.2928 -12.2917 -12.2455 -12.2449 -2.6813 -2.6812 -2.6798 -2.6785 -1.5806 -1.5802 -1.2699 -1.2696 -0.5279 -0.5246 -0.2592 -0.2559 -0.1719 -0.1697 0.2723 0.2747 0.8285 0.8292 1.2146 1.2169 1.5158 1.5160 2.2934 2.2935 2.5274 2.5334 2.6597 2.6601 3.0078 3.0099 3.3347 3.3362 3.6563 3.6596 3.6647 3.6665 3.9803 3.9861 4.0159 4.0180 4.3835 4.3836 4.4090 4.4123 5.5013 5.5058 5.5720 5.5734 11.4019 11.4058 12.3570 12.3571 13.5005 13.5016 14.0916 14.0944 14.6725 14.6750 15.1747 15.1772 k = 0.5000-0.0000 0.1230 ( 4544 PWs) bands (ev): -14.5554 -14.5554 -14.4233 -14.4233 -12.8492 -12.8487 -12.7794 -12.7782 -12.5200 -12.5184 -12.3870 -12.3851 -12.3178 -12.3166 -12.2468 -12.2463 -2.6971 -2.6959 -2.6739 -2.6739 -1.5846 -1.5843 -1.2799 -1.2796 -0.5281 -0.5251 -0.2584 -0.2554 -0.1574 -0.1554 0.2647 0.2667 0.8438 0.8445 1.1980 1.2001 1.5025 1.5026 2.3095 2.3096 2.5385 2.5441 2.6640 2.6644 2.9926 2.9947 3.3462 3.3476 3.6707 3.6710 3.6978 3.7029 3.9740 3.9796 4.0342 4.0359 4.3690 4.3691 4.3967 4.4001 5.4807 5.4849 5.5677 5.5689 11.3612 11.3647 12.3429 12.3429 13.4877 13.4887 14.0978 14.1002 14.6917 14.6939 15.1871 15.1895 k = 0.5000-0.0000 0.1055 ( 4542 PWs) bands (ev): -14.5620 -14.5620 -14.4298 -14.4298 -12.8142 -12.8137 -12.7535 -12.7523 -12.5243 -12.5224 -12.4034 -12.4016 -12.3420 -12.3407 -12.2476 -12.2472 -2.7121 -2.7111 -2.6673 -2.6673 -1.5880 -1.5877 -1.2888 -1.2886 -0.5282 -0.5255 -0.2576 -0.2550 -0.1443 -0.1425 0.2565 0.2583 0.8587 0.8593 1.1835 1.1853 1.4908 1.4909 2.3241 2.3242 2.5482 2.5534 2.6674 2.6678 2.9791 2.9811 3.3549 3.3561 3.6754 3.6759 3.7373 3.7424 3.9696 3.9750 4.0531 4.0544 4.3540 4.3541 4.3835 4.3868 5.4621 5.4659 5.5639 5.5650 11.3257 11.3287 12.3305 12.3306 13.4767 13.4775 14.1031 14.1052 14.7095 14.7113 15.1964 15.1986 k = 0.5000-0.0000 0.0879 ( 4540 PWs) bands (ev): -14.5677 -14.5677 -14.4353 -14.4353 -12.7799 -12.7793 -12.7290 -12.7278 -12.5304 -12.5285 -12.4199 -12.4182 -12.3645 -12.3632 -12.2481 -12.2478 -2.7250 -2.7241 -2.6616 -2.6616 -1.5909 -1.5907 -1.2965 -1.2963 -0.5281 -0.5258 -0.2569 -0.2547 -0.1327 -0.1311 0.2484 0.2499 0.8724 0.8729 1.1711 1.1726 1.4809 1.4809 2.3369 2.3371 2.5565 2.5611 2.6701 2.6704 2.9675 2.9694 3.3617 3.3626 3.6790 3.6795 3.7729 3.7777 3.9682 3.9730 4.0720 4.0729 4.3388 4.3389 4.3696 4.3729 5.4457 5.4490 5.5606 5.5616 11.2954 11.2979 12.3201 12.3201 13.4673 13.4680 14.1075 14.1092 14.7253 14.7268 15.2033 15.2052 k = 0.5000-0.0000 0.0703 ( 4550 PWs) bands (ev): -14.5723 -14.5723 -14.4399 -14.4399 -12.7465 -12.7457 -12.7063 -12.7052 -12.5393 -12.5373 -12.4360 -12.4345 -12.3845 -12.3832 -12.2483 -12.2481 -2.7356 -2.7349 -2.6568 -2.6568 -1.5933 -1.5931 -1.3030 -1.3028 -0.5279 -0.5261 -0.2563 -0.2545 -0.1227 -0.1214 0.2410 0.2423 0.8843 0.8847 1.1609 1.1621 1.4726 1.4727 2.3478 2.3481 2.5633 2.5672 2.6722 2.6725 2.9580 2.9596 3.3669 3.3676 3.6815 3.6820 3.8023 3.8066 3.9704 3.9745 4.0902 4.0908 4.3238 4.3240 4.3558 4.3587 5.4319 5.4346 5.5580 5.5587 11.2705 11.2725 12.3115 12.3115 13.4596 13.4602 14.1111 14.1125 14.7390 14.7401 15.2082 15.2098 k = 0.5000-0.0000 0.0527 ( 4550 PWs) bands (ev): -14.5759 -14.5759 -14.4434 -14.4434 -12.7144 -12.7135 -12.6863 -12.6853 -12.5515 -12.5495 -12.4510 -12.4497 -12.4007 -12.3995 -12.2485 -12.2483 -2.7439 -2.7433 -2.6530 -2.6530 -1.5951 -1.5949 -1.3081 -1.3079 -0.5277 -0.5263 -0.2558 -0.2544 -0.1146 -0.1136 0.2348 0.2358 0.8940 0.8943 1.1529 1.1538 1.4662 1.4663 2.3566 2.3568 2.5686 2.5717 2.6737 2.6739 2.9506 2.9519 3.3709 3.3714 3.6832 3.6836 3.8241 3.8275 3.9764 3.9794 4.1068 4.1072 4.3099 4.3101 4.3429 4.3453 5.4209 5.4231 5.5559 5.5565 11.2511 11.2526 12.3048 12.3048 13.4537 13.4541 14.1139 14.1150 14.7501 14.7510 15.2117 15.2129 k = 0.5000-0.0000 0.0352 ( 4552 PWs) bands (ev): -14.5785 -14.5785 -14.4460 -14.4460 -12.6843 -12.6834 -12.6700 -12.6692 -12.5671 -12.5653 -12.4635 -12.4625 -12.4123 -12.4115 -12.2485 -12.2484 -2.7498 -2.7494 -2.6503 -2.6503 -1.5964 -1.5963 -1.3117 -1.3117 -0.5275 -0.5266 -0.2553 -0.2544 -0.1086 -0.1079 0.2301 0.2308 0.9011 0.9014 1.1472 1.1478 1.4617 1.4617 2.3631 2.3633 2.5725 2.5746 2.6747 2.6749 2.9453 2.9462 3.3738 3.3741 3.6844 3.6847 3.8383 3.8405 3.9845 3.9863 4.1206 4.1209 4.2981 4.2982 4.3322 4.3340 5.4131 5.4145 5.5545 5.5549 11.2373 11.2383 12.3000 12.3000 13.4495 13.4498 14.1159 14.1166 14.7583 14.7589 15.2140 15.2148 k = 0.5000-0.0000 0.0176 ( 4560 PWs) bands (ev): -14.5800 -14.5800 -14.4475 -14.4475 -12.6597 -12.6595 -12.6574 -12.6571 -12.5840 -12.5827 -12.4720 -12.4715 -12.4192 -12.4187 -12.2485 -12.2484 -2.7533 -2.7531 -2.6486 -2.6486 -1.5971 -1.5971 -1.3139 -1.3139 -0.5273 -0.5268 -0.2550 -0.2545 -0.1048 -0.1045 0.2273 0.2276 0.9055 0.9057 1.1439 1.1442 1.4589 1.4589 2.3671 2.3672 2.5751 2.5761 2.6753 2.6754 2.9423 2.9427 3.3756 3.3757 3.6851 3.6852 3.8460 3.8471 3.9914 3.9922 4.1301 4.1302 4.2899 4.2899 4.3251 4.3261 5.4084 5.4091 5.5536 5.5538 11.2291 11.2296 12.2971 12.2972 13.4469 13.4471 14.1172 14.1176 14.7634 14.7637 15.2153 15.2158 k = 0.5000-0.0000-0.0000 ( 4566 PWs) bands (ev): -14.5805 -14.5805 -14.4480 -14.4480 -12.6552 -12.6552 -12.6451 -12.6451 -12.5933 -12.5933 -12.4749 -12.4749 -12.4213 -12.4213 -12.2485 -12.2485 -2.7544 -2.7544 -2.6481 -2.6481 -1.5974 -1.5974 -1.3147 -1.3147 -0.5270 -0.5270 -0.2547 -0.2547 -0.1035 -0.1035 0.2264 0.2264 0.9071 0.9071 1.1428 1.1428 1.4580 1.4580 2.3684 2.3684 2.5763 2.5763 2.6755 2.6755 2.9414 2.9414 3.3762 3.3762 3.6853 3.6853 3.8488 3.8488 3.9943 3.9943 4.1335 4.1335 4.2869 4.2869 4.3229 4.3229 5.4071 5.4071 5.5534 5.5534 11.2265 11.2265 12.2962 12.2962 13.4462 13.4462 14.1177 14.1177 14.7652 14.7652 15.2159 15.2159 k = 0.0000 0.0000 0.5800 ( 4560 PWs) bands (ev): -14.5541 -14.5541 -14.2923 -14.2923 -13.0701 -13.0701 -12.9458 -12.9458 -12.5762 -12.5762 -12.3437 -12.3437 -12.2376 -12.2376 -12.0234 -12.0234 -3.8013 -3.8013 -2.1464 -2.1464 -1.9935 -1.9935 -0.9551 -0.9551 -0.1590 -0.1590 -0.1421 -0.1421 -0.0490 -0.0490 0.9818 0.9818 1.2010 1.2010 1.2972 1.2972 1.9508 1.9508 2.0282 2.0282 2.1027 2.1027 2.1074 2.1074 2.6973 2.6973 2.9705 2.9705 3.5137 3.5137 3.7489 3.7489 4.0742 4.0742 4.1498 4.1498 4.5771 4.5771 4.8138 4.8138 5.3796 5.3796 5.9950 5.9950 11.5531 11.5531 12.4475 12.4475 13.3960 13.3960 13.4829 13.4829 14.0612 14.0612 14.3430 14.3430 k = 0.0172-0.0000 0.5800 ( 4556 PWs) bands (ev): -14.5535 -14.5535 -14.2918 -14.2918 -13.0718 -13.0716 -12.9470 -12.9469 -12.5761 -12.5758 -12.3442 -12.3438 -12.2366 -12.2362 -12.0233 -12.0231 -3.7995 -3.7994 -2.1454 -2.1453 -1.9928 -1.9926 -0.9550 -0.9549 -0.1624 -0.1618 -0.1432 -0.1423 -0.0483 -0.0478 0.9810 0.9814 1.1986 1.1992 1.2980 1.2984 1.9475 1.9489 2.0239 2.0264 2.0826 2.0871 2.1309 2.1334 2.6966 2.6971 2.9684 2.9687 3.5151 3.5163 3.7477 3.7481 4.0722 4.0744 4.1499 4.1519 4.5766 4.5768 4.8110 4.8116 5.3808 5.3818 5.9947 5.9949 11.5567 11.5569 12.4495 12.4496 13.3967 13.3968 13.4839 13.4843 14.0605 14.0611 14.3433 14.3441 k = 0.0345-0.0000 0.5800 ( 4558 PWs) bands (ev): -14.5518 -14.5517 -14.2905 -14.2904 -13.0768 -13.0765 -12.9505 -12.9502 -12.5753 -12.5748 -12.3451 -12.3444 -12.2333 -12.2325 -12.0226 -12.0224 -3.7939 -3.7937 -2.1423 -2.1420 -1.9906 -1.9903 -0.9545 -0.9544 -0.1712 -0.1702 -0.1459 -0.1444 -0.0459 -0.0449 0.9786 0.9793 1.1926 1.1936 1.3007 1.3014 1.9390 1.9417 2.0150 2.0191 2.0696 2.0752 2.1626 2.1650 2.6952 2.6962 2.9624 2.9630 3.5203 3.5228 3.7444 3.7451 4.0687 4.0728 4.1522 4.1557 4.5752 4.5756 4.8032 4.8043 5.3853 5.3872 5.9940 5.9943 11.5675 11.5681 12.4556 12.4559 13.3988 13.3991 13.4872 13.4881 14.0590 14.0602 14.3450 14.3465 k = 0.0517-0.0000 0.5800 ( 4560 PWs) bands (ev): -14.5488 -14.5488 -14.2882 -14.2881 -13.0851 -13.0846 -12.9563 -12.9558 -12.5740 -12.5733 -12.3462 -12.3453 -12.2280 -12.2269 -12.0215 -12.0211 -3.7846 -3.7842 -2.1372 -2.1368 -1.9868 -1.9864 -0.9537 -0.9535 -0.1843 -0.1833 -0.1505 -0.1487 -0.0426 -0.0412 0.9735 0.9746 1.1841 1.1856 1.3052 1.3061 1.9263 1.9299 2.0045 2.0095 2.0626 2.0686 2.1973 2.1999 2.6930 2.6945 2.9529 2.9537 3.5291 3.5327 3.7391 3.7402 4.0641 4.0696 4.1564 4.1610 4.5729 4.5735 4.7909 4.7923 5.3929 5.3956 5.9929 5.9935 11.5856 11.5864 12.4657 12.4662 13.4023 13.4028 13.4929 13.4942 14.0568 14.0586 14.3479 14.3501 k = 0.0690-0.0000 0.5800 ( 4556 PWs) bands (ev): -14.5448 -14.5447 -14.2850 -14.2849 -13.0962 -13.0956 -12.9642 -12.9635 -12.5722 -12.5714 -12.3473 -12.3461 -12.2211 -12.2198 -12.0199 -12.0194 -3.7716 -3.7710 -2.1303 -2.1297 -1.9813 -1.9807 -0.9526 -0.9523 -0.2010 -0.2000 -0.1570 -0.1551 -0.0391 -0.0374 0.9641 0.9655 1.1754 1.1772 1.3114 1.3123 1.9110 1.9150 1.9945 1.9999 2.0583 2.0644 2.2338 2.2368 2.6900 2.6921 2.9403 2.9411 3.5410 3.5455 3.7319 3.7334 4.0587 4.0651 4.1620 4.1672 4.5697 4.5703 4.7746 4.7763 5.4030 5.4065 5.9915 5.9922 11.6107 11.6119 12.4798 12.4804 13.4073 13.4080 13.5008 13.5025 14.0541 14.0564 14.3517 14.3547 k = 0.0862-0.0000 0.5800 ( 4554 PWs) bands (ev): -14.5395 -14.5395 -14.2810 -14.2809 -13.1102 -13.1094 -12.9741 -12.9733 -12.5701 -12.5692 -12.3481 -12.3467 -12.2131 -12.2116 -12.0177 -12.0171 -3.7549 -3.7542 -2.1218 -2.1212 -1.9739 -1.9731 -0.9512 -0.9508 -0.2209 -0.2199 -0.1652 -0.1631 -0.0359 -0.0340 0.9482 0.9499 1.1688 1.1708 1.3192 1.3200 1.8946 1.8987 1.9855 1.9912 2.0548 2.0610 2.2715 2.2749 2.6865 2.6890 2.9250 2.9259 3.5552 3.5606 3.7231 3.7249 4.0527 4.0597 4.1688 4.1741 4.5653 4.5661 4.7552 4.7569 5.4154 5.4194 5.9896 5.9905 11.6428 11.6442 12.4977 12.4984 13.4136 13.4144 13.5109 13.5130 14.0510 14.0538 14.3562 14.3600 k = 0.1034-0.0000 0.5800 ( 4558 PWs) bands (ev): -14.5332 -14.5331 -14.2761 -14.2760 -13.1266 -13.1258 -12.9861 -12.9852 -12.5678 -12.5667 -12.3483 -12.3469 -12.2042 -12.2026 -12.0151 -12.0144 -3.7346 -3.7338 -2.1121 -2.1114 -1.9642 -1.9632 -0.9495 -0.9491 -0.2437 -0.2427 -0.1748 -0.1726 -0.0336 -0.0315 0.9242 0.9262 1.1664 1.1686 1.3286 1.3292 1.8786 1.8826 1.9773 1.9831 2.0513 2.0577 2.3098 2.3135 2.6825 2.6855 2.9075 2.9083 3.5712 3.5773 3.7127 3.7149 4.0464 4.0536 4.1763 4.1815 4.5595 4.5604 4.7334 4.7350 5.4295 5.4340 5.9875 5.9886 11.6815 11.6831 12.5191 12.5199 13.4211 13.4221 13.5230 13.5255 14.0478 14.0511 14.3610 14.3656 k = 0.1207-0.0000 0.5800 ( 4554 PWs) bands (ev): -14.5257 -14.5257 -14.2704 -14.2702 -13.1452 -13.1443 -12.9998 -12.9988 -12.5652 -12.5641 -12.3480 -12.3465 -12.1950 -12.1932 -12.0119 -12.0111 -3.7109 -3.7100 -2.1017 -2.1009 -1.9521 -1.9509 -0.9477 -0.9472 -0.2692 -0.2682 -0.1854 -0.1832 -0.0324 -0.0302 0.8915 0.8938 1.1691 1.1714 1.3397 1.3400 1.8635 1.8675 1.9696 1.9755 2.0474 2.0538 2.3481 2.3522 2.6782 2.6818 2.8882 2.8888 3.5882 3.5947 3.7013 3.7039 4.0396 4.0470 4.1843 4.1892 4.5519 4.5530 4.7104 4.7116 5.4448 5.4497 5.9850 5.9863 11.7264 11.7283 12.5439 12.5448 13.4298 13.4309 13.5371 13.5399 14.0447 14.0485 14.3657 14.3710 k = 0.1379-0.0000 0.5800 ( 4560 PWs) bands (ev): -14.5172 -14.5171 -14.2639 -14.2637 -13.1657 -13.1648 -13.0153 -13.0142 -12.5627 -12.5614 -12.3472 -12.3456 -12.1855 -12.1837 -12.0083 -12.0074 -3.6838 -3.6827 -2.0909 -2.0902 -1.9371 -1.9357 -0.9458 -0.9452 -0.2974 -0.2962 -0.1968 -0.1944 -0.0326 -0.0302 0.8508 0.8533 1.1767 1.1791 1.3523 1.3524 1.8498 1.8537 1.9623 1.9684 2.0429 2.0494 2.3857 2.3903 2.6739 2.6781 2.8674 2.8679 3.6053 3.6118 3.6893 3.6924 4.0325 4.0399 4.1927 4.1970 4.5420 4.5432 4.6873 4.6881 5.4610 5.4663 5.9823 5.9837 11.7773 11.7794 12.5717 12.5728 13.4395 13.4408 13.5528 13.5559 14.0420 14.0462 14.3699 14.3759 k = 0.1552-0.0000 0.5800 ( 4564 PWs) bands (ev): -14.5076 -14.5075 -14.2567 -14.2565 -13.1878 -13.1869 -13.0322 -13.0311 -12.5600 -12.5587 -12.3457 -12.3441 -12.1762 -12.1743 -12.0041 -12.0031 -3.6534 -3.6522 -2.0803 -2.0796 -1.9190 -1.9174 -0.9439 -0.9431 -0.3280 -0.3267 -0.2086 -0.2061 -0.0342 -0.0317 0.8033 0.8061 1.1885 1.1909 1.3663 1.3666 1.8376 1.8414 1.9556 1.9617 2.0376 2.0441 2.4220 2.4269 2.6703 2.6750 2.8456 2.8458 3.6212 3.6267 3.6779 3.6819 4.0250 4.0322 4.2013 4.2049 4.5290 4.5306 4.6650 4.6661 5.4778 5.4833 5.9793 5.9809 11.8338 11.8360 12.6024 12.6036 13.4501 13.4515 13.5700 13.5734 14.0398 14.0444 14.3731 14.3799 k = 0.1724-0.0000 0.5800 ( 4566 PWs) bands (ev): -14.4970 -14.4969 -14.2488 -14.2486 -13.2112 -13.2103 -13.0506 -13.0494 -12.5574 -12.5560 -12.3438 -12.3421 -12.1671 -12.1652 -11.9994 -11.9984 -3.6199 -3.6186 -2.0703 -2.0696 -1.8976 -1.8958 -0.9419 -0.9411 -0.3609 -0.3594 -0.2204 -0.2179 -0.0373 -0.0347 0.7502 0.7532 1.2035 1.2058 1.3819 1.3825 1.8267 1.8305 1.9494 1.9556 2.0315 2.0381 2.4556 2.4611 2.6682 2.6734 2.8229 2.8232 3.6319 3.6345 3.6705 3.6773 4.0170 4.0240 4.2099 4.2126 4.5125 4.5144 4.6447 4.6468 5.4949 5.5005 5.9761 5.9779 11.8953 11.8977 12.6356 12.6369 13.4613 13.4629 13.5883 13.5920 14.0384 14.0434 14.3751 14.3824 k = 0.1897-0.0000 0.5800 ( 4560 PWs) bands (ev): -14.4854 -14.4853 -14.2403 -14.2401 -13.2358 -13.2349 -13.0701 -13.0689 -12.5547 -12.5533 -12.3415 -12.3398 -12.1584 -12.1565 -11.9943 -11.9933 -3.5834 -3.5821 -2.0611 -2.0605 -1.8728 -1.8709 -0.9401 -0.9392 -0.3959 -0.3942 -0.2321 -0.2295 -0.0421 -0.0395 0.6927 0.6960 1.2211 1.2233 1.3991 1.4001 1.8172 1.8209 1.9440 1.9501 2.0246 2.0312 2.4851 2.4910 2.6692 2.6745 2.7997 2.8004 3.6293 3.6311 3.6739 3.6836 4.0085 4.0153 4.2182 4.2200 4.4924 4.4947 4.6275 4.6308 5.5120 5.5178 5.9728 5.9746 11.9613 11.9639 12.6710 12.6724 13.4730 13.4748 13.6076 13.6114 14.0381 14.0434 14.3754 14.3833 k = 0.2069-0.0000 0.5800 ( 4560 PWs) bands (ev): -14.4728 -14.4727 -14.2313 -14.2311 -13.2611 -13.2602 -13.0905 -13.0894 -12.5520 -12.5507 -12.3390 -12.3373 -12.1502 -12.1483 -11.9888 -11.9878 -3.5442 -3.5428 -2.0530 -2.0523 -1.8448 -1.8427 -0.9384 -0.9374 -0.4328 -0.4308 -0.2432 -0.2407 -0.0487 -0.0460 0.6317 0.6353 1.2406 1.2427 1.4178 1.4191 1.8089 1.8126 1.9394 1.9454 2.0170 2.0235 2.5079 2.5140 2.6751 2.6800 2.7769 2.7782 3.6173 3.6202 3.6851 3.6959 3.9993 4.0058 4.2258 4.2268 4.4698 4.4722 4.6135 4.6178 5.5290 5.5348 5.9693 5.9713 12.0314 12.0340 12.7083 12.7098 13.4850 13.4870 13.6274 13.6312 14.0390 14.0447 14.3739 14.3822 k = 0.2241-0.0000 0.5800 ( 4554 PWs) bands (ev): -14.4594 -14.4593 -14.2219 -14.2217 -13.2870 -13.2861 -13.1118 -13.1107 -12.5494 -12.5480 -12.3363 -12.3345 -12.1425 -12.1407 -11.9829 -11.9819 -3.5024 -3.5010 -2.0460 -2.0454 -1.8137 -1.8114 -0.9370 -0.9359 -0.4713 -0.4691 -0.2536 -0.2510 -0.0570 -0.0543 0.5682 0.5719 1.2617 1.2635 1.4378 1.4396 1.8018 1.8055 1.9358 1.9416 2.0087 2.0152 2.5221 2.5280 2.6865 2.6895 2.7561 2.7590 3.6028 3.6062 3.6978 3.7089 3.9893 3.9955 4.2318 4.2327 4.4462 4.4486 4.6021 4.6074 5.5457 5.5516 5.9656 5.9678 12.1047 12.1075 12.7473 12.7488 13.4970 13.4991 13.6472 13.6511 14.0415 14.0474 14.3706 14.3791 k = 0.2414-0.0000 0.5800 ( 4560 PWs) bands (ev): -14.4452 -14.4451 -14.2122 -14.2119 -13.3132 -13.3124 -13.1336 -13.1326 -12.5468 -12.5454 -12.3335 -12.3318 -12.1355 -12.1337 -11.9768 -11.9759 -3.4583 -3.4568 -2.0404 -2.0396 -1.7797 -1.7773 -0.9359 -0.9346 -0.5110 -0.5085 -0.2629 -0.2603 -0.0671 -0.0645 0.5027 0.5067 1.2838 1.2855 1.4590 1.4611 1.7957 1.7995 1.9331 1.9384 2.0001 2.0064 2.5273 2.5327 2.6943 2.6960 2.7455 2.7516 3.5876 3.5913 3.7095 3.7209 3.9785 3.9844 4.2350 4.2369 4.4238 4.4260 4.5928 4.5988 5.5620 5.5678 5.9619 5.9642 12.1807 12.1835 12.7875 12.7892 13.5087 13.5111 13.6667 13.6705 14.0457 14.0517 14.3656 14.3741 k = 0.2586-0.0000 0.5800 ( 4560 PWs) bands (ev): -14.4303 -14.4302 -14.2023 -14.2020 -13.3394 -13.3387 -13.1559 -13.1548 -12.5442 -12.5429 -12.3307 -12.3290 -12.1290 -12.1273 -11.9705 -11.9696 -3.4122 -3.4107 -2.0360 -2.0352 -1.7432 -1.7408 -0.9352 -0.9338 -0.5514 -0.5487 -0.2710 -0.2684 -0.0792 -0.0767 0.4361 0.4404 1.3069 1.3083 1.4810 1.4836 1.7908 1.7947 1.9310 1.9356 1.9915 1.9976 2.5248 2.5299 2.6831 2.6865 2.7596 2.7667 3.5723 3.5763 3.7194 3.7312 3.9667 3.9724 4.2347 4.2375 4.4049 4.4069 4.5848 4.5915 5.5778 5.5835 5.9582 5.9605 12.2587 12.2614 12.8289 12.8307 13.5199 13.5225 13.6854 13.6890 14.0516 14.0577 14.3591 14.3674 k = 0.2759-0.0000 0.5800 ( 4560 PWs) bands (ev): -14.4146 -14.4145 -14.1923 -14.1920 -13.3655 -13.3647 -13.1783 -13.1773 -12.5416 -12.5403 -12.3280 -12.3264 -12.1231 -12.1216 -11.9642 -11.9634 -3.3644 -3.3628 -2.0332 -2.0323 -1.7047 -1.7021 -0.9350 -0.9334 -0.5920 -0.5890 -0.2776 -0.2751 -0.0935 -0.0910 0.3691 0.3736 1.3305 1.3319 1.5035 1.5064 1.7870 1.7910 1.9290 1.9325 1.9838 1.9896 2.5169 2.5219 2.6630 2.6663 2.7885 2.7949 3.5572 3.5615 3.7270 3.7392 3.9541 3.9594 4.2298 4.2331 4.3917 4.3937 4.5777 4.5850 5.5930 5.5986 5.9545 5.9568 12.3376 12.3404 12.8712 12.8731 13.5303 13.5332 13.7027 13.7061 14.0594 14.0654 14.3516 14.3595 k = 0.2931-0.0000 0.5800 ( 4564 PWs) bands (ev): -14.3985 -14.3984 -14.1825 -14.1822 -13.3910 -13.3904 -13.2007 -13.1998 -12.5391 -12.5379 -12.3254 -12.3238 -12.1178 -12.1164 -11.9579 -11.9572 -3.3152 -3.3136 -2.0319 -2.0309 -1.6643 -1.6618 -0.9352 -0.9334 -0.6320 -0.6289 -0.2826 -0.2801 -0.1101 -0.1078 0.3025 0.3072 1.3546 1.3561 1.5259 1.5291 1.7845 1.7887 1.9258 1.9284 1.9781 1.9838 2.5050 2.5102 2.6404 2.6438 2.8221 2.8280 3.5427 3.5473 3.7319 3.7446 3.9408 3.9456 4.2198 4.2233 4.3850 4.3873 4.5712 4.5790 5.6075 5.6129 5.9507 5.9532 12.4168 12.4195 12.9141 12.9162 13.5398 13.5429 13.7180 13.7211 14.0690 14.0748 14.3437 14.3510 k = 0.3103-0.0000 0.5800 ( 4572 PWs) bands (ev): -14.3819 -14.3818 -14.1730 -14.1726 -13.4159 -13.4153 -13.2229 -13.2220 -12.5366 -12.5355 -12.3230 -12.3215 -12.1131 -12.1117 -11.9518 -11.9511 -3.2650 -3.2635 -2.0324 -2.0313 -1.6228 -1.6203 -0.9361 -0.9340 -0.6706 -0.6673 -0.2859 -0.2834 -0.1294 -0.1273 0.2371 0.2420 1.3791 1.3807 1.5476 1.5510 1.7831 1.7876 1.9199 1.9231 1.9753 1.9816 2.4903 2.4956 2.6175 2.6209 2.8576 2.8633 3.5290 3.5338 3.7335 3.7468 3.9270 3.9313 4.2061 4.2094 4.3844 4.3874 4.5651 4.5734 5.6212 5.6265 5.9471 5.9495 12.4951 12.4976 12.9576 12.9598 13.5481 13.5515 13.7308 13.7337 14.0802 14.0857 14.3359 14.3425 k = 0.3276-0.0000 0.5800 ( 4574 PWs) bands (ev): -14.3650 -14.3649 -14.1639 -14.1636 -13.4398 -13.4392 -13.2445 -13.2437 -12.5343 -12.5332 -12.3208 -12.3194 -12.1088 -12.1076 -11.9459 -11.9453 -3.2144 -3.2129 -2.0347 -2.0335 -1.5804 -1.5780 -0.9378 -0.9355 -0.7066 -0.7034 -0.2873 -0.2849 -0.1520 -0.1501 0.1741 0.1790 1.4038 1.4056 1.5679 1.5715 1.7829 1.7877 1.9115 1.9159 1.9763 1.9834 2.4733 2.4789 2.5950 2.5984 2.8939 2.8993 3.5162 3.5213 3.7313 3.7451 3.9135 3.9171 4.1904 4.1932 4.3884 4.3922 4.5591 4.5678 5.6341 5.6391 5.9436 5.9460 12.5714 12.5738 13.0015 13.0039 13.5553 13.5588 13.7407 13.7434 14.0927 14.0978 14.3290 14.3346 k = 0.3448-0.0000 0.5800 ( 4568 PWs) bands (ev): -14.3480 -14.3479 -14.1556 -14.1552 -13.4624 -13.4618 -13.2655 -13.2647 -12.5320 -12.5310 -12.3188 -12.3175 -12.1050 -12.1040 -11.9404 -11.9398 -3.1639 -3.1624 -2.0389 -2.0377 -1.5380 -1.5357 -0.9406 -0.9380 -0.7388 -0.7356 -0.2869 -0.2845 -0.1785 -0.1768 0.1146 0.1195 1.4288 1.4308 1.5862 1.5898 1.7833 1.7884 1.9022 1.9075 1.9811 1.9888 2.4546 2.4605 2.5731 2.5765 2.9301 2.9355 3.5046 3.5100 3.7247 3.7390 3.9008 3.9038 4.1744 4.1769 4.3954 4.4002 4.5531 4.5622 5.6461 5.6508 5.9402 5.9425 12.6446 12.6468 13.0457 13.0483 13.5612 13.5648 13.7471 13.7496 14.1060 14.1106 14.3234 14.3279 k = 0.3621-0.0000 0.5800 ( 4566 PWs) bands (ev): -14.3310 -14.3309 -14.1481 -14.1478 -13.4834 -13.4829 -13.2854 -13.2847 -12.5299 -12.5290 -12.3171 -12.3158 -12.1017 -12.1008 -11.9352 -11.9348 -3.1141 -3.1127 -2.0451 -2.0439 -1.4962 -1.4940 -0.9451 -0.9425 -0.7652 -0.7623 -0.2847 -0.2824 -0.2096 -0.2081 0.0600 0.0649 1.4540 1.4562 1.6020 1.6054 1.7834 1.7885 1.8938 1.8994 1.9889 1.9969 2.4346 2.4408 2.5522 2.5556 2.9658 2.9711 3.4943 3.5001 3.7134 3.7281 3.8899 3.8923 4.1594 4.1614 4.4043 4.4099 4.5471 4.5565 5.6571 5.6615 5.9370 5.9392 12.7135 12.7154 13.0901 13.0930 13.5660 13.5696 13.7496 13.7521 14.1195 14.1237 14.3196 14.3231 k = 0.3793-0.0000 0.5800 ( 4566 PWs) bands (ev): -14.3144 -14.3143 -14.1418 -14.1414 -13.5026 -13.5021 -13.3041 -13.3034 -12.5280 -12.5271 -12.3155 -12.3144 -12.0989 -12.0980 -11.9305 -11.9301 -3.0658 -3.0645 -2.0531 -2.0519 -1.4558 -1.4539 -0.9522 -0.9496 -0.7839 -0.7815 -0.2814 -0.2792 -0.2454 -0.2439 0.0115 0.0162 1.4792 1.4817 1.6149 1.6180 1.7815 1.7862 1.8884 1.8936 1.9991 2.0073 2.4138 2.4202 2.5326 2.5359 3.0005 3.0056 3.4857 3.4919 3.6975 3.7123 3.8811 3.8830 4.1461 4.1477 4.4143 4.4207 4.5409 4.5506 5.6671 5.6711 5.9340 5.9361 12.7767 12.7783 13.1344 13.1374 13.5700 13.5734 13.7481 13.7506 14.1326 14.1363 14.3178 14.3205 k = 0.3966-0.0000 0.5800 ( 4566 PWs) bands (ev): -14.2983 -14.2983 -14.1367 -14.1364 -13.5197 -13.5193 -13.3212 -13.3206 -12.5262 -12.5255 -12.3142 -12.3132 -12.0964 -12.0957 -11.9264 -11.9260 -3.0200 -3.0188 -2.0627 -2.0615 -1.4180 -1.4163 -0.9621 -0.9598 -0.7933 -0.7916 -0.2924 -0.2914 -0.2695 -0.2683 -0.0303 -0.0259 1.5043 1.5070 1.6250 1.6277 1.7756 1.7799 1.8873 1.8918 2.0114 2.0196 2.3925 2.3990 2.5144 2.5176 3.0335 3.0384 3.4790 3.4855 3.6780 3.6923 3.8745 3.8760 4.1346 4.1358 4.4248 4.4319 4.5345 4.5444 5.6760 5.6795 5.9313 5.9332 12.8332 12.8345 13.1781 13.1812 13.5734 13.5766 13.7424 13.7450 14.1448 14.1480 14.3181 14.3203 k = 0.4138-0.0000 0.5800 ( 4564 PWs) bands (ev): -14.2833 -14.2832 -14.1330 -14.1327 -13.5344 -13.5341 -13.3364 -13.3359 -12.5246 -12.5240 -12.3131 -12.3122 -12.0943 -12.0937 -11.9228 -11.9225 -2.9777 -2.9767 -2.0732 -2.0722 -1.3836 -1.3823 -0.9743 -0.9724 -0.7930 -0.7920 -0.3362 -0.3344 -0.2644 -0.2626 -0.0656 -0.0617 1.5293 1.5322 1.6327 1.6349 1.7652 1.7690 1.8902 1.8939 2.0253 2.0333 2.3715 2.3779 2.4982 2.5011 3.0643 3.0689 3.4743 3.4812 3.6559 3.6696 3.8698 3.8709 4.1250 4.1260 4.4355 4.4433 4.5279 4.5379 5.6837 5.6868 5.9289 5.9306 12.8820 12.8830 13.2202 13.2234 13.5768 13.5796 13.7329 13.7355 14.1555 14.1583 14.3201 14.3223 k = 0.4310-0.0000 0.5800 ( 4564 PWs) bands (ev): -14.2696 -14.2696 -14.1306 -14.1303 -13.5467 -13.5464 -13.3494 -13.3490 -12.5233 -12.5228 -12.3122 -12.3115 -12.0926 -12.0922 -11.9198 -11.9196 -2.9402 -2.9393 -2.0841 -2.0832 -1.3539 -1.3528 -0.9874 -0.9859 -0.7842 -0.7836 -0.3836 -0.3815 -0.2556 -0.2536 -0.0955 -0.0920 1.5539 1.5569 1.6383 1.6400 1.7508 1.7544 1.8957 1.8986 2.0401 2.0475 2.3513 2.3575 2.4842 2.4868 3.0920 3.0960 3.4721 3.4790 3.6329 3.6456 3.8666 3.8674 4.1174 4.1182 4.4462 4.4544 4.5209 4.5310 5.6902 5.6928 5.9269 5.9284 12.9225 12.9232 13.2593 13.2624 13.5809 13.5832 13.7200 13.7226 14.1644 14.1667 14.3235 14.3257 k = 0.4483-0.0000 0.5800 ( 4560 PWs) bands (ev): -14.2580 -14.2579 -14.1293 -14.1291 -13.5563 -13.5561 -13.3599 -13.3596 -12.5223 -12.5219 -12.3114 -12.3109 -12.0913 -12.0910 -11.9174 -11.9172 -2.9088 -2.9081 -2.0943 -2.0936 -1.3297 -1.3290 -0.9995 -0.9984 -0.7690 -0.7681 -0.4300 -0.4279 -0.2453 -0.2434 -0.1205 -0.1175 1.5776 1.5806 1.6425 1.6436 1.7339 1.7374 1.9018 1.9041 2.0548 2.0612 2.3333 2.3387 2.4729 2.4749 3.1154 3.1188 3.4723 3.4791 3.6109 3.6220 3.8644 3.8649 4.1116 4.1122 4.4565 4.4651 4.5138 4.5237 5.6955 5.6974 5.9254 5.9265 12.9543 12.9548 13.2935 13.2962 13.5863 13.5880 13.7048 13.7073 14.1714 14.1732 14.3276 14.3297 k = 0.4655-0.0000 0.5800 ( 4552 PWs) bands (ev): -14.2489 -14.2488 -14.1289 -14.1287 -13.5632 -13.5630 -13.3676 -13.3674 -12.5215 -12.5212 -12.3109 -12.3106 -12.0904 -12.0901 -11.9157 -11.9156 -2.8850 -2.8846 -2.1026 -2.1021 -1.3118 -1.3114 -1.0091 -1.0085 -0.7502 -0.7492 -0.4714 -0.4695 -0.2344 -0.2326 -0.1411 -0.1386 1.5995 1.6022 1.6458 1.6464 1.7161 1.7194 1.9073 1.9089 2.0679 2.0728 2.3187 2.3229 2.4646 2.4660 3.1336 3.1360 3.4748 3.4807 3.5922 3.6010 3.8631 3.8634 4.1076 4.1080 4.4664 4.4749 4.5067 4.5161 5.6993 5.7006 5.9243 5.9251 12.9771 12.9774 13.3205 13.3225 13.5932 13.5943 13.6890 13.6911 14.1764 14.1777 14.3316 14.3332 k = 0.4828-0.0000 0.5800 ( 4550 PWs) bands (ev): -14.2431 -14.2430 -14.1289 -14.1288 -13.5673 -13.5673 -13.3724 -13.3723 -12.5210 -12.5208 -12.3105 -12.3104 -12.0898 -12.0897 -11.9146 -11.9146 -2.8701 -2.8698 -2.1081 -2.1079 -1.3009 -1.3007 -1.0153 -1.0149 -0.7332 -0.7324 -0.5018 -0.5006 -0.2245 -0.2233 -0.1559 -0.1544 1.6170 1.6188 1.6487 1.6492 1.7005 1.7029 1.9111 1.9119 2.0777 2.0804 2.3093 2.3117 2.4596 2.4604 3.1454 3.1466 3.4786 3.4823 3.5800 3.5851 3.8624 3.8625 4.1053 4.1054 4.4755 4.4824 4.5009 4.5083 5.7018 5.7025 5.9237 5.9241 12.9909 12.9910 13.3380 13.3391 13.6004 13.6010 13.6758 13.6772 14.1796 14.1802 14.3346 14.3355 k = 0.5000-0.0000 0.5800 ( 4552 PWs) bands (ev): -14.2410 -14.2410 -14.1289 -14.1289 -13.5687 -13.5687 -13.3739 -13.3739 -12.5207 -12.5207 -12.3104 -12.3104 -12.0895 -12.0895 -11.9143 -11.9143 -2.8649 -2.8649 -2.1100 -2.1100 -1.2971 -1.2971 -1.0173 -1.0173 -0.7256 -0.7256 -0.5130 -0.5130 -0.2197 -0.2197 -0.1613 -0.1613 1.6248 1.6248 1.6509 1.6509 1.6941 1.6941 1.9127 1.9127 2.0822 2.0822 2.3068 2.3068 2.4582 2.4582 3.1498 3.1498 3.4817 3.4817 3.5773 3.5773 3.8622 3.8622 4.1045 4.1045 4.4825 4.4825 4.5016 4.5016 5.7029 5.7029 5.9236 5.9236 12.9955 12.9955 13.3445 13.3445 13.6041 13.6041 13.6708 13.6708 14.1808 14.1808 14.3360 14.3360 Writing output data file SiO2.save init_run : 2.31s CPU 11.37s WALL ( 1 calls) electrons : 1701.21s CPU 1715.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.30s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 1701.13s CPU 1714.82s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.88s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.07s CPU 0.54s WALL ( 1 calls) newd : 0.23s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 292 calls) cegterg : 1646.77s CPU 1657.21s WALL ( 1024 calls) Called by sum_band: Called by *egterg: h_psi : 444.86s CPU 455.72s WALL ( 18536 calls) s_psi : 41.60s CPU 42.49s WALL ( 18536 calls) g_psi : 1.18s CPU 1.26s WALL ( 17220 calls) cdiaghg : 918.02s CPU 915.02s WALL ( 17512 calls) cegterg:over : 131.68s CPU 127.50s WALL ( 17220 calls) cegterg:upda : 36.40s CPU 40.71s WALL ( 17220 calls) cegterg:last : 23.46s CPU 24.11s WALL ( 2231 calls) Called by h_psi: h_psi:vloc : 333.35s CPU 342.36s WALL ( 18536 calls) h_psi:vnl : 111.02s CPU 112.06s WALL ( 18536 calls) add_vuspsi : 32.43s CPU 37.47s WALL ( 18536 calls) General routines calbec : 78.52s CPU 74.49s WALL ( 18536 calls) fft : 0.53s CPU 1.42s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 313.71s CPU 320.92s WALL ( 2104980 calls) interpolate : 0.07s CPU 0.09s WALL ( 4 calls) davcio : 0.02s CPU 2.00s WALL ( 584 calls) Parallel routines fft_scatter : 212.55s CPU 211.40s WALL ( 2105003 calls) PWSCF : 29m25.91s CPU 32m12.19s WALL This run was terminated on: 21:15:35 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=