Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:26:31 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrxGeAux2.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 110 43 12 2909 716 115 Max 111 44 13 2912 737 118 Sum 3983 1573 457 104777 26209 4189 bravais-lattice index = 14 lattice parameter (alat) = 11.4871 a.u. unit-cell volume = 710.3297 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.487090 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.724767 celldm(5)= -0.724767 celldm(6)= 0.449534 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.449534 0.893263 0.000000 ) a(3) = ( -0.724767 -0.446632 0.524627 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.503249 0.953059 ) b(2) = ( 0.000000 1.119491 0.953059 ) b(3) = ( 0.000000 0.000000 1.906117 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Sr 10.00 87.62000 Sr( 1.00) Au 11.00 196.96660 Au( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0000000 0.0000000 0.0190612), wk = 0.0030488 k( 3) = ( 0.0000000 0.0000000 0.0381223), wk = 0.0030488 k( 4) = ( 0.0000000 0.0000000 0.0571835), wk = 0.0030488 k( 5) = ( 0.0000000 0.0000000 0.0762447), wk = 0.0030488 k( 6) = ( 0.0000000 0.0000000 0.0953059), wk = 0.0030488 k( 7) = ( 0.0000000 0.0000000 0.1143670), wk = 0.0030488 k( 8) = ( 0.0000000 0.0000000 0.1334282), wk = 0.0030488 k( 9) = ( 0.0000000 0.0000000 0.1524894), wk = 0.0030488 k( 10) = ( 0.0000000 0.0000000 0.1715506), wk = 0.0030488 k( 11) = ( 0.0000000 0.0000000 0.1906117), wk = 0.0030488 k( 12) = ( 0.0000000 0.0000000 0.2096729), wk = 0.0030488 k( 13) = ( 0.0000000 0.0000000 0.2287341), wk = 0.0030488 k( 14) = ( 0.0000000 0.0000000 0.2477953), wk = 0.0030488 k( 15) = ( 0.0000000 0.0000000 0.2668564), wk = 0.0030488 k( 16) = ( 0.0000000 0.0000000 0.2859176), wk = 0.0030488 k( 17) = ( 0.0000000 0.0000000 0.3049788), wk = 0.0030488 k( 18) = ( 0.0000000 0.0000000 0.3240400), wk = 0.0030488 k( 19) = ( 0.0000000 0.0000000 0.3431011), wk = 0.0030488 k( 20) = ( 0.0000000 0.0000000 0.3621623), wk = 0.0030488 k( 21) = ( 0.0000000 0.0000000 0.3812235), wk = 0.0030488 k( 22) = ( 0.0000000 0.0000000 0.4002847), wk = 0.0030488 k( 23) = ( 0.0000000 0.0000000 0.4193458), wk = 0.0030488 k( 24) = ( 0.0000000 0.0000000 0.4384070), wk = 0.0030488 k( 25) = ( 0.0000000 0.0000000 0.4574682), wk = 0.0030488 k( 26) = ( 0.0000000 0.0000000 0.4765293), wk = 0.0030488 k( 27) = ( 0.0000000 0.0000000 0.4955905), wk = 0.0030488 k( 28) = ( 0.0000000 0.0000000 0.5146517), wk = 0.0030488 k( 29) = ( 0.0000000 0.0000000 0.5337129), wk = 0.0030488 k( 30) = ( 0.0000000 0.0000000 0.5527740), wk = 0.0030488 k( 31) = ( 0.0000000 0.0000000 0.5718352), wk = 0.0030488 k( 32) = ( 0.0000000 0.0000000 0.5908964), wk = 0.0030488 k( 33) = ( 0.0000000 0.0000000 0.6099576), wk = 0.0030488 k( 34) = ( 0.0000000 0.0000000 0.6290187), wk = 0.0030488 k( 35) = ( 0.0000000 0.0000000 0.6480799), wk = 0.0030488 k( 36) = ( 0.0000000 0.0000000 0.6671411), wk = 0.0030488 k( 37) = ( 0.0000000 0.0000000 0.6862023), wk = 0.0030488 k( 38) = ( 0.0000000 0.0000000 0.7052634), wk = 0.0030488 k( 39) = ( 0.0000000 0.0000000 0.7243246), wk = 0.0030488 k( 40) = ( 0.0000000 0.0000000 0.7433858), wk = 0.0030488 k( 41) = ( 0.0000000 0.0000000 0.7624470), wk = 0.0030488 k( 42) = ( 0.0000000 0.0000000 0.7815081), wk = 0.0030488 k( 43) = ( 0.0000000 0.0000000 0.8005693), wk = 0.0030488 k( 44) = ( 0.0000000 0.0000000 0.8196305), wk = 0.0030488 k( 45) = ( 0.0000000 0.0000000 0.8386917), wk = 0.0030488 k( 46) = ( 0.0000000 0.0000000 0.8577528), wk = 0.0030488 k( 47) = ( 0.0000000 0.0000000 0.8768140), wk = 0.0030488 k( 48) = ( 0.0000000 0.0000000 0.8958752), wk = 0.0030488 k( 49) = ( 0.0000000 0.0000000 0.9149363), wk = 0.0030488 k( 50) = ( 0.0000000 0.0000000 0.9339975), wk = 0.0030488 k( 51) = ( 0.0000000 0.0000000 0.9530587), wk = 0.0030488 k( 52) = ( 0.0000000 0.0000000 0.9530587), wk = 0.0030488 k( 53) = ( -0.0094938 0.0154060 0.9530587), wk = 0.0030488 k( 54) = ( -0.0189877 0.0308121 0.9530587), wk = 0.0030488 k( 55) = ( -0.0284816 0.0462181 0.9530587), wk = 0.0030488 k( 56) = ( -0.0379754 0.0616242 0.9530587), wk = 0.0030488 k( 57) = ( -0.0474692 0.0770302 0.9530587), wk = 0.0030488 k( 58) = ( -0.0569631 0.0924363 0.9530587), wk = 0.0030488 k( 59) = ( -0.0664570 0.1078423 0.9530587), wk = 0.0030488 k( 60) = ( -0.0759508 0.1232484 0.9530587), wk = 0.0030488 k( 61) = ( -0.0854446 0.1386544 0.9530587), wk = 0.0030488 k( 62) = ( -0.0949385 0.1540605 0.9530587), wk = 0.0030488 k( 63) = ( -0.0949385 0.1540605 0.9530587), wk = 0.0030488 k( 64) = ( -0.1019223 0.1653934 0.9397467), wk = 0.0030488 k( 65) = ( -0.1089061 0.1767263 0.9264347), wk = 0.0030488 k( 66) = ( -0.1158900 0.1880592 0.9131228), wk = 0.0030488 k( 67) = ( -0.1228738 0.1993921 0.8998108), wk = 0.0030488 k( 68) = ( -0.1298576 0.2107251 0.8864988), wk = 0.0030488 k( 69) = ( -0.1368414 0.2220580 0.8731868), wk = 0.0030488 k( 70) = ( -0.1438252 0.2333909 0.8598748), wk = 0.0030488 k( 71) = ( -0.1508091 0.2447238 0.8465629), wk = 0.0030488 k( 72) = ( -0.1577929 0.2560567 0.8332509), wk = 0.0030488 k( 73) = ( -0.1647767 0.2673896 0.8199389), wk = 0.0030488 k( 74) = ( -0.1717605 0.2787226 0.8066269), wk = 0.0030488 k( 75) = ( -0.1787443 0.2900555 0.7933149), wk = 0.0030488 k( 76) = ( -0.1857282 0.3013884 0.7800030), wk = 0.0030488 k( 77) = ( -0.1927120 0.3127213 0.7666910), wk = 0.0030488 k( 78) = ( -0.1996958 0.3240542 0.7533790), wk = 0.0030488 k( 79) = ( -0.2066796 0.3353872 0.7400670), wk = 0.0030488 k( 80) = ( -0.2136634 0.3467201 0.7267551), wk = 0.0030488 k( 81) = ( -0.2206472 0.3580530 0.7134431), wk = 0.0030488 k( 82) = ( -0.2276311 0.3693859 0.7001311), wk = 0.0030488 k( 83) = ( -0.2346149 0.3807188 0.6868191), wk = 0.0030488 k( 84) = ( -0.2415987 0.3920518 0.6735071), wk = 0.0030488 k( 85) = ( -0.2485825 0.4033847 0.6601952), wk = 0.0030488 k( 86) = ( -0.2555663 0.4147176 0.6468832), wk = 0.0030488 k( 87) = ( -0.2625502 0.4260505 0.6335712), wk = 0.0030488 k( 88) = ( -0.2695340 0.4373834 0.6202592), wk = 0.0030488 k( 89) = ( -0.2765178 0.4487164 0.6069473), wk = 0.0030488 k( 90) = ( -0.2835016 0.4600493 0.5936353), wk = 0.0030488 k( 91) = ( -0.2904854 0.4713822 0.5803233), wk = 0.0030488 k( 92) = ( -0.2974693 0.4827151 0.5670113), wk = 0.0030488 k( 93) = ( -0.2974693 0.4827151 0.5670113), wk = 0.0030488 k( 94) = ( -0.2903867 0.4712219 0.5535110), wk = 0.0030488 k( 95) = ( -0.2833040 0.4597287 0.5400108), wk = 0.0030488 k( 96) = ( -0.2762214 0.4482355 0.5265105), wk = 0.0030488 k( 97) = ( -0.2691388 0.4367422 0.5130102), wk = 0.0030488 k( 98) = ( -0.2620562 0.4252490 0.4995100), wk = 0.0030488 k( 99) = ( -0.2549736 0.4137558 0.4860097), wk = 0.0030488 k( 100) = ( -0.2478910 0.4022626 0.4725094), wk = 0.0030488 k( 101) = ( -0.2408084 0.3907694 0.4590092), wk = 0.0030488 k( 102) = ( -0.2337258 0.3792762 0.4455089), wk = 0.0030488 k( 103) = ( -0.2266432 0.3677829 0.4320086), wk = 0.0030488 k( 104) = ( -0.2195606 0.3562897 0.4185084), wk = 0.0030488 k( 105) = ( -0.2124780 0.3447965 0.4050081), wk = 0.0030488 k( 106) = ( -0.2053954 0.3333033 0.3915078), wk = 0.0030488 k( 107) = ( -0.1983128 0.3218101 0.3780075), wk = 0.0030488 k( 108) = ( -0.1912302 0.3103168 0.3645073), wk = 0.0030488 k( 109) = ( -0.1841476 0.2988236 0.3510070), wk = 0.0030488 k( 110) = ( -0.1770650 0.2873304 0.3375067), wk = 0.0030488 k( 111) = ( -0.1699824 0.2758372 0.3240065), wk = 0.0030488 k( 112) = ( -0.1628998 0.2643440 0.3105062), wk = 0.0030488 k( 113) = ( -0.1558172 0.2528508 0.2970059), wk = 0.0030488 k( 114) = ( -0.1487346 0.2413576 0.2835057), wk = 0.0030488 k( 115) = ( -0.1416520 0.2298643 0.2700054), wk = 0.0030488 k( 116) = ( -0.1345694 0.2183711 0.2565051), wk = 0.0030488 k( 117) = ( -0.1274868 0.2068779 0.2430048), wk = 0.0030488 k( 118) = ( -0.1204042 0.1953847 0.2295046), wk = 0.0030488 k( 119) = ( -0.1133216 0.1838915 0.2160043), wk = 0.0030488 k( 120) = ( -0.1062390 0.1723983 0.2025040), wk = 0.0030488 k( 121) = ( -0.0991564 0.1609050 0.1890038), wk = 0.0030488 k( 122) = ( -0.0920738 0.1494118 0.1755035), wk = 0.0030488 k( 123) = ( -0.0849912 0.1379186 0.1620032), wk = 0.0030488 k( 124) = ( -0.0779086 0.1264254 0.1485030), wk = 0.0030488 k( 125) = ( -0.0708260 0.1149322 0.1350027), wk = 0.0030488 k( 126) = ( -0.0637434 0.1034389 0.1215024), wk = 0.0030488 k( 127) = ( -0.0566608 0.0919457 0.1080022), wk = 0.0030488 k( 128) = ( -0.0495782 0.0804525 0.0945019), wk = 0.0030488 k( 129) = ( -0.0424956 0.0689593 0.0810016), wk = 0.0030488 k( 130) = ( -0.0354130 0.0574661 0.0675014), wk = 0.0030488 k( 131) = ( -0.0283304 0.0459729 0.0540011), wk = 0.0030488 k( 132) = ( -0.0212478 0.0344796 0.0405008), wk = 0.0030488 k( 133) = ( -0.0141652 0.0229864 0.0270005), wk = 0.0030488 k( 134) = ( -0.0070826 0.0114932 0.0135003), wk = 0.0030488 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 137) = ( 0.0161290 0.0099394 0.0000000), wk = 0.0030488 k( 138) = ( 0.0322581 0.0198788 0.0000000), wk = 0.0030488 k( 139) = ( 0.0483871 0.0298182 0.0000000), wk = 0.0030488 k( 140) = ( 0.0645161 0.0397575 0.0000000), wk = 0.0030488 k( 141) = ( 0.0806452 0.0496969 0.0000000), wk = 0.0030488 k( 142) = ( 0.0967742 0.0596363 0.0000000), wk = 0.0030488 k( 143) = ( 0.1129032 0.0695757 0.0000000), wk = 0.0030488 k( 144) = ( 0.1290323 0.0795151 0.0000000), wk = 0.0030488 k( 145) = ( 0.1451613 0.0894545 0.0000000), wk = 0.0030488 k( 146) = ( 0.1612903 0.0993938 0.0000000), wk = 0.0030488 k( 147) = ( 0.1774194 0.1093332 0.0000000), wk = 0.0030488 k( 148) = ( 0.1935484 0.1192726 0.0000000), wk = 0.0030488 k( 149) = ( 0.2096774 0.1292120 0.0000000), wk = 0.0030488 k( 150) = ( 0.2258064 0.1391514 0.0000000), wk = 0.0030488 k( 151) = ( 0.2419355 0.1490908 0.0000000), wk = 0.0030488 k( 152) = ( 0.2580645 0.1590302 0.0000000), wk = 0.0030488 k( 153) = ( 0.2741936 0.1689695 0.0000000), wk = 0.0030488 k( 154) = ( 0.2903226 0.1789089 0.0000000), wk = 0.0030488 k( 155) = ( 0.3064516 0.1888483 0.0000000), wk = 0.0030488 k( 156) = ( 0.3225807 0.1987877 0.0000000), wk = 0.0030488 k( 157) = ( 0.3387097 0.2087271 0.0000000), wk = 0.0030488 k( 158) = ( 0.3548387 0.2186665 0.0000000), wk = 0.0030488 k( 159) = ( 0.3709677 0.2286058 0.0000000), wk = 0.0030488 k( 160) = ( 0.3870968 0.2385452 0.0000000), wk = 0.0030488 k( 161) = ( 0.4032258 0.2484846 0.0000000), wk = 0.0030488 k( 162) = ( 0.4193548 0.2584240 0.0000000), wk = 0.0030488 k( 163) = ( 0.4354839 0.2683634 0.0000000), wk = 0.0030488 k( 164) = ( 0.4516129 0.2783028 0.0000000), wk = 0.0030488 k( 165) = ( 0.4677419 0.2882422 0.0000000), wk = 0.0030488 k( 166) = ( 0.4838710 0.2981815 0.0000000), wk = 0.0030488 k( 167) = ( 0.5000000 0.3081209 0.0000000), wk = 0.0030488 k( 168) = ( 0.5000000 0.3081209 0.0000000), wk = 0.0030488 k( 169) = ( 0.4930162 0.3194538 0.0133120), wk = 0.0030488 k( 170) = ( 0.4860324 0.3307868 0.0266240), wk = 0.0030488 k( 171) = ( 0.4790485 0.3421197 0.0399359), wk = 0.0030488 k( 172) = ( 0.4720647 0.3534526 0.0532479), wk = 0.0030488 k( 173) = ( 0.4650809 0.3647855 0.0665599), wk = 0.0030488 k( 174) = ( 0.4580971 0.3761184 0.0798719), wk = 0.0030488 k( 175) = ( 0.4511133 0.3874514 0.0931838), wk = 0.0030488 k( 176) = ( 0.4441294 0.3987843 0.1064958), wk = 0.0030488 k( 177) = ( 0.4371456 0.4101172 0.1198078), wk = 0.0030488 k( 178) = ( 0.4301618 0.4214501 0.1331198), wk = 0.0030488 k( 179) = ( 0.4231780 0.4327830 0.1464318), wk = 0.0030488 k( 180) = ( 0.4161942 0.4441160 0.1597438), wk = 0.0030488 k( 181) = ( 0.4092104 0.4554489 0.1730557), wk = 0.0030488 k( 182) = ( 0.4022265 0.4667818 0.1863677), wk = 0.0030488 k( 183) = ( 0.3952427 0.4781147 0.1996797), wk = 0.0030488 k( 184) = ( 0.3882589 0.4894476 0.2129917), wk = 0.0030488 k( 185) = ( 0.3812751 0.5007805 0.2263036), wk = 0.0030488 k( 186) = ( 0.3742913 0.5121135 0.2396156), wk = 0.0030488 k( 187) = ( 0.3673074 0.5234464 0.2529276), wk = 0.0030488 k( 188) = ( 0.3603236 0.5347793 0.2662396), wk = 0.0030488 k( 189) = ( 0.3533398 0.5461122 0.2795516), wk = 0.0030488 k( 190) = ( 0.3463560 0.5574451 0.2928635), wk = 0.0030488 k( 191) = ( 0.3393722 0.5687781 0.3061755), wk = 0.0030488 k( 192) = ( 0.3323883 0.5801110 0.3194875), wk = 0.0030488 k( 193) = ( 0.3254045 0.5914439 0.3327995), wk = 0.0030488 k( 194) = ( 0.3184207 0.6027768 0.3461114), wk = 0.0030488 k( 195) = ( 0.3114369 0.6141097 0.3594234), wk = 0.0030488 k( 196) = ( 0.3044531 0.6254427 0.3727354), wk = 0.0030488 k( 197) = ( 0.2974693 0.6367756 0.3860474), wk = 0.0030488 k( 198) = ( 0.2974693 0.6367756 0.3860474), wk = 0.0030488 k( 199) = ( 0.2799711 0.6322444 0.3913698), wk = 0.0030488 k( 200) = ( 0.2624729 0.6277132 0.3966923), wk = 0.0030488 k( 201) = ( 0.2449747 0.6231820 0.4020148), wk = 0.0030488 k( 202) = ( 0.2274765 0.6186508 0.4073372), wk = 0.0030488 k( 203) = ( 0.2099783 0.6141196 0.4126597), wk = 0.0030488 k( 204) = ( 0.1924801 0.6095884 0.4179822), wk = 0.0030488 k( 205) = ( 0.1749819 0.6050572 0.4233047), wk = 0.0030488 k( 206) = ( 0.1574837 0.6005261 0.4286271), wk = 0.0030488 k( 207) = ( 0.1399855 0.5959949 0.4339496), wk = 0.0030488 k( 208) = ( 0.1224873 0.5914637 0.4392721), wk = 0.0030488 k( 209) = ( 0.1049892 0.5869325 0.4445945), wk = 0.0030488 k( 210) = ( 0.0874910 0.5824013 0.4499170), wk = 0.0030488 k( 211) = ( 0.0699928 0.5778701 0.4552395), wk = 0.0030488 k( 212) = ( 0.0524946 0.5733389 0.4605619), wk = 0.0030488 k( 213) = ( 0.0349964 0.5688077 0.4658844), wk = 0.0030488 k( 214) = ( 0.0174982 0.5642765 0.4712069), wk = 0.0030488 k( 215) = ( 0.0000000 0.5597453 0.4765293), wk = 0.0030488 k( 216) = ( 0.0000000 0.5597453 0.4765293), wk = 0.0030488 k( 217) = ( 0.0071429 0.5481543 0.4901445), wk = 0.0030488 k( 218) = ( 0.0142857 0.5365634 0.5037596), wk = 0.0030488 k( 219) = ( 0.0214286 0.5249724 0.5173747), wk = 0.0030488 k( 220) = ( 0.0285714 0.5133814 0.5309898), wk = 0.0030488 k( 221) = ( 0.0357143 0.5017904 0.5446050), wk = 0.0030488 k( 222) = ( 0.0428571 0.4901994 0.5582201), wk = 0.0030488 k( 223) = ( 0.0500000 0.4786084 0.5718352), wk = 0.0030488 k( 224) = ( 0.0571429 0.4670174 0.5854503), wk = 0.0030488 k( 225) = ( 0.0642857 0.4554264 0.5990655), wk = 0.0030488 k( 226) = ( 0.0714286 0.4438354 0.6126806), wk = 0.0030488 k( 227) = ( 0.0785714 0.4322444 0.6262957), wk = 0.0030488 k( 228) = ( 0.0857143 0.4206534 0.6399108), wk = 0.0030488 k( 229) = ( 0.0928571 0.4090624 0.6535260), wk = 0.0030488 k( 230) = ( 0.1000000 0.3974714 0.6671411), wk = 0.0030488 k( 231) = ( 0.1071429 0.3858804 0.6807562), wk = 0.0030488 k( 232) = ( 0.1142857 0.3742894 0.6943713), wk = 0.0030488 k( 233) = ( 0.1214286 0.3626984 0.7079865), wk = 0.0030488 k( 234) = ( 0.1285714 0.3511074 0.7216016), wk = 0.0030488 k( 235) = ( 0.1357143 0.3395164 0.7352167), wk = 0.0030488 k( 236) = ( 0.1428571 0.3279254 0.7488318), wk = 0.0030488 k( 237) = ( 0.1500000 0.3163344 0.7624470), wk = 0.0030488 k( 238) = ( 0.1571429 0.3047434 0.7760621), wk = 0.0030488 k( 239) = ( 0.1642857 0.2931524 0.7896772), wk = 0.0030488 k( 240) = ( 0.1714286 0.2815614 0.8032923), wk = 0.0030488 k( 241) = ( 0.1785714 0.2699704 0.8169075), wk = 0.0030488 k( 242) = ( 0.1857143 0.2583794 0.8305226), wk = 0.0030488 k( 243) = ( 0.1928571 0.2467884 0.8441377), wk = 0.0030488 k( 244) = ( 0.2000000 0.2351974 0.8577528), wk = 0.0030488 k( 245) = ( 0.2071429 0.2236064 0.8713680), wk = 0.0030488 k( 246) = ( 0.2142857 0.2120155 0.8849831), wk = 0.0030488 k( 247) = ( 0.2214286 0.2004245 0.8985982), wk = 0.0030488 k( 248) = ( 0.2285714 0.1888335 0.9122133), wk = 0.0030488 k( 249) = ( 0.2357143 0.1772424 0.9258285), wk = 0.0030488 k( 250) = ( 0.2428571 0.1656515 0.9394436), wk = 0.0030488 k( 251) = ( 0.2500000 0.1540605 0.9530587), wk = 0.0030488 k( 252) = ( 0.2500000 0.1540605 0.9530587), wk = 0.0030488 k( 253) = ( 0.2638889 0.1626194 0.9430051), wk = 0.0030488 k( 254) = ( 0.2777778 0.1711783 0.9329516), wk = 0.0030488 k( 255) = ( 0.2916667 0.1797372 0.9228980), wk = 0.0030488 k( 256) = ( 0.3055556 0.1882961 0.9128445), wk = 0.0030488 k( 257) = ( 0.3194444 0.1968550 0.9027909), wk = 0.0030488 k( 258) = ( 0.3333333 0.2054139 0.8927374), wk = 0.0030488 k( 259) = ( 0.3472222 0.2139729 0.8826838), wk = 0.0030488 k( 260) = ( 0.3611111 0.2225318 0.8726303), wk = 0.0030488 k( 261) = ( 0.3750000 0.2310907 0.8625767), wk = 0.0030488 k( 262) = ( 0.3888889 0.2396496 0.8525232), wk = 0.0030488 k( 263) = ( 0.4027778 0.2482085 0.8424696), wk = 0.0030488 k( 264) = ( 0.4166667 0.2567674 0.8324161), wk = 0.0030488 k( 265) = ( 0.4305556 0.2653264 0.8223625), wk = 0.0030488 k( 266) = ( 0.4444444 0.2738853 0.8123090), wk = 0.0030488 k( 267) = ( 0.4583333 0.2824442 0.8022554), wk = 0.0030488 k( 268) = ( 0.4722222 0.2910031 0.7922019), wk = 0.0030488 k( 269) = ( 0.4861111 0.2995620 0.7821483), wk = 0.0030488 k( 270) = ( 0.5000000 0.3081209 0.7720948), wk = 0.0030488 k( 271) = ( 0.5000000 0.3081209 0.7720948), wk = 0.0030488 k( 272) = ( 0.5000000 0.3081209 0.7527924), wk = 0.0030488 k( 273) = ( 0.5000000 0.3081209 0.7334900), wk = 0.0030488 k( 274) = ( 0.5000000 0.3081209 0.7141876), wk = 0.0030488 k( 275) = ( 0.5000000 0.3081209 0.6948853), wk = 0.0030488 k( 276) = ( 0.5000000 0.3081209 0.6755829), wk = 0.0030488 k( 277) = ( 0.5000000 0.3081209 0.6562805), wk = 0.0030488 k( 278) = ( 0.5000000 0.3081209 0.6369782), wk = 0.0030488 k( 279) = ( 0.5000000 0.3081209 0.6176758), wk = 0.0030488 k( 280) = ( 0.5000000 0.3081209 0.5983734), wk = 0.0030488 k( 281) = ( 0.5000000 0.3081209 0.5790711), wk = 0.0030488 k( 282) = ( 0.5000000 0.3081209 0.5597687), wk = 0.0030488 k( 283) = ( 0.5000000 0.3081209 0.5404663), wk = 0.0030488 k( 284) = ( 0.5000000 0.3081209 0.5211640), wk = 0.0030488 k( 285) = ( 0.5000000 0.3081209 0.5018616), wk = 0.0030488 k( 286) = ( 0.5000000 0.3081209 0.4825592), wk = 0.0030488 k( 287) = ( 0.5000000 0.3081209 0.4632569), wk = 0.0030488 k( 288) = ( 0.5000000 0.3081209 0.4439545), wk = 0.0030488 k( 289) = ( 0.5000000 0.3081209 0.4246521), wk = 0.0030488 k( 290) = ( 0.5000000 0.3081209 0.4053497), wk = 0.0030488 k( 291) = ( 0.5000000 0.3081209 0.3860474), wk = 0.0030488 k( 292) = ( 0.5000000 0.3081209 0.3667450), wk = 0.0030488 k( 293) = ( 0.5000000 0.3081209 0.3474426), wk = 0.0030488 k( 294) = ( 0.5000000 0.3081209 0.3281403), wk = 0.0030488 k( 295) = ( 0.5000000 0.3081209 0.3088379), wk = 0.0030488 k( 296) = ( 0.5000000 0.3081209 0.2895355), wk = 0.0030488 k( 297) = ( 0.5000000 0.3081209 0.2702332), wk = 0.0030488 k( 298) = ( 0.5000000 0.3081209 0.2509308), wk = 0.0030488 k( 299) = ( 0.5000000 0.3081209 0.2316284), wk = 0.0030488 k( 300) = ( 0.5000000 0.3081209 0.2123261), wk = 0.0030488 k( 301) = ( 0.5000000 0.3081209 0.1930237), wk = 0.0030488 k( 302) = ( 0.5000000 0.3081209 0.1737213), wk = 0.0030488 k( 303) = ( 0.5000000 0.3081209 0.1544190), wk = 0.0030488 k( 304) = ( 0.5000000 0.3081209 0.1351166), wk = 0.0030488 k( 305) = ( 0.5000000 0.3081209 0.1158142), wk = 0.0030488 k( 306) = ( 0.5000000 0.3081209 0.0965119), wk = 0.0030488 k( 307) = ( 0.5000000 0.3081209 0.0772095), wk = 0.0030488 k( 308) = ( 0.5000000 0.3081209 0.0579071), wk = 0.0030488 k( 309) = ( 0.5000000 0.3081209 0.0386047), wk = 0.0030488 k( 310) = ( 0.5000000 0.3081209 0.0193024), wk = 0.0030488 k( 311) = ( 0.5000000 0.3081209 0.0000000), wk = 0.0030488 k( 312) = ( 0.0000000 0.0000000 0.9530587), wk = 0.0030488 k( 313) = ( 0.0156250 0.0096288 0.9530587), wk = 0.0030488 k( 314) = ( 0.0312500 0.0192576 0.9530587), wk = 0.0030488 k( 315) = ( 0.0468750 0.0288863 0.9530587), wk = 0.0030488 k( 316) = ( 0.0625000 0.0385151 0.9530587), wk = 0.0030488 k( 317) = ( 0.0781250 0.0481439 0.9530587), wk = 0.0030488 k( 318) = ( 0.0937500 0.0577727 0.9530587), wk = 0.0030488 k( 319) = ( 0.1093750 0.0674015 0.9530587), wk = 0.0030488 k( 320) = ( 0.1250000 0.0770302 0.9530587), wk = 0.0030488 k( 321) = ( 0.1406250 0.0866590 0.9530587), wk = 0.0030488 k( 322) = ( 0.1562500 0.0962878 0.9530587), wk = 0.0030488 k( 323) = ( 0.1718750 0.1059166 0.9530587), wk = 0.0030488 k( 324) = ( 0.1875000 0.1155453 0.9530587), wk = 0.0030488 k( 325) = ( 0.2031250 0.1251741 0.9530587), wk = 0.0030488 k( 326) = ( 0.2187500 0.1348029 0.9530587), wk = 0.0030488 k( 327) = ( 0.2343750 0.1444317 0.9530587), wk = 0.0030488 k( 328) = ( 0.2500000 0.1540605 0.9530587), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0030488 k( 3) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0030488 k( 4) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0030488 k( 5) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0030488 k( 6) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0030488 k( 7) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0030488 k( 8) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0030488 k( 9) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0030488 k( 10) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0030488 k( 11) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030488 k( 12) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0030488 k( 13) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0030488 k( 14) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0030488 k( 15) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0030488 k( 16) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0030488 k( 17) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0030488 k( 18) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0030488 k( 19) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0030488 k( 20) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0030488 k( 21) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030488 k( 22) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0030488 k( 23) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0030488 k( 24) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0030488 k( 25) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0030488 k( 26) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030488 k( 27) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0030488 k( 28) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0030488 k( 29) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0030488 k( 30) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0030488 k( 31) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030488 k( 32) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0030488 k( 33) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0030488 k( 34) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0030488 k( 35) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0030488 k( 36) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0030488 k( 37) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0030488 k( 38) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0030488 k( 39) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0030488 k( 40) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0030488 k( 41) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030488 k( 42) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0030488 k( 43) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0030488 k( 44) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0030488 k( 45) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0030488 k( 46) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0030488 k( 47) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0030488 k( 48) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0030488 k( 49) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0030488 k( 50) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0030488 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 53) = ( -0.0094938 0.0094938 0.5000000), wk = 0.0030488 k( 54) = ( -0.0189877 0.0189877 0.5000000), wk = 0.0030488 k( 55) = ( -0.0284816 0.0284816 0.5000000), wk = 0.0030488 k( 56) = ( -0.0379754 0.0379754 0.5000000), wk = 0.0030488 k( 57) = ( -0.0474692 0.0474692 0.5000000), wk = 0.0030488 k( 58) = ( -0.0569631 0.0569631 0.5000000), wk = 0.0030488 k( 59) = ( -0.0664570 0.0664570 0.5000000), wk = 0.0030488 k( 60) = ( -0.0759508 0.0759508 0.5000000), wk = 0.0030488 k( 61) = ( -0.0854446 0.0854447 0.5000000), wk = 0.0030488 k( 62) = ( -0.0949385 0.0949385 0.5000000), wk = 0.0030488 k( 63) = ( -0.0949385 0.0949385 0.5000000), wk = 0.0030488 k( 64) = ( -0.1019223 0.1019223 0.4930162), wk = 0.0030488 k( 65) = ( -0.1089061 0.1089061 0.4860324), wk = 0.0030488 k( 66) = ( -0.1158900 0.1158900 0.4790485), wk = 0.0030488 k( 67) = ( -0.1228738 0.1228738 0.4720647), wk = 0.0030488 k( 68) = ( -0.1298576 0.1298576 0.4650809), wk = 0.0030488 k( 69) = ( -0.1368414 0.1368414 0.4580971), wk = 0.0030488 k( 70) = ( -0.1438252 0.1438252 0.4511133), wk = 0.0030488 k( 71) = ( -0.1508091 0.1508091 0.4441294), wk = 0.0030488 k( 72) = ( -0.1577929 0.1577929 0.4371456), wk = 0.0030488 k( 73) = ( -0.1647767 0.1647767 0.4301618), wk = 0.0030488 k( 74) = ( -0.1717605 0.1717605 0.4231780), wk = 0.0030488 k( 75) = ( -0.1787443 0.1787443 0.4161942), wk = 0.0030488 k( 76) = ( -0.1857282 0.1857282 0.4092104), wk = 0.0030488 k( 77) = ( -0.1927120 0.1927120 0.4022265), wk = 0.0030488 k( 78) = ( -0.1996958 0.1996958 0.3952427), wk = 0.0030488 k( 79) = ( -0.2066796 0.2066796 0.3882589), wk = 0.0030488 k( 80) = ( -0.2136634 0.2136634 0.3812751), wk = 0.0030488 k( 81) = ( -0.2206472 0.2206472 0.3742913), wk = 0.0030488 k( 82) = ( -0.2276311 0.2276311 0.3673074), wk = 0.0030488 k( 83) = ( -0.2346149 0.2346149 0.3603236), wk = 0.0030488 k( 84) = ( -0.2415987 0.2415987 0.3533398), wk = 0.0030488 k( 85) = ( -0.2485825 0.2485825 0.3463560), wk = 0.0030488 k( 86) = ( -0.2555663 0.2555663 0.3393722), wk = 0.0030488 k( 87) = ( -0.2625502 0.2625502 0.3323883), wk = 0.0030488 k( 88) = ( -0.2695340 0.2695340 0.3254045), wk = 0.0030488 k( 89) = ( -0.2765178 0.2765178 0.3184207), wk = 0.0030488 k( 90) = ( -0.2835016 0.2835016 0.3114369), wk = 0.0030488 k( 91) = ( -0.2904854 0.2904854 0.3044531), wk = 0.0030488 k( 92) = ( -0.2974693 0.2974693 0.2974693), wk = 0.0030488 k( 93) = ( -0.2974693 0.2974693 0.2974693), wk = 0.0030488 k( 94) = ( -0.2903867 0.2903867 0.2903866), wk = 0.0030488 k( 95) = ( -0.2833040 0.2833041 0.2833040), wk = 0.0030488 k( 96) = ( -0.2762214 0.2762215 0.2762214), wk = 0.0030488 k( 97) = ( -0.2691388 0.2691388 0.2691388), wk = 0.0030488 k( 98) = ( -0.2620562 0.2620563 0.2620562), wk = 0.0030488 k( 99) = ( -0.2549736 0.2549736 0.2549736), wk = 0.0030488 k( 100) = ( -0.2478910 0.2478910 0.2478910), wk = 0.0030488 k( 101) = ( -0.2408084 0.2408084 0.2408084), wk = 0.0030488 k( 102) = ( -0.2337258 0.2337258 0.2337258), wk = 0.0030488 k( 103) = ( -0.2266432 0.2266432 0.2266432), wk = 0.0030488 k( 104) = ( -0.2195606 0.2195606 0.2195606), wk = 0.0030488 k( 105) = ( -0.2124780 0.2124780 0.2124780), wk = 0.0030488 k( 106) = ( -0.2053954 0.2053954 0.2053954), wk = 0.0030488 k( 107) = ( -0.1983128 0.1983128 0.1983128), wk = 0.0030488 k( 108) = ( -0.1912302 0.1912302 0.1912302), wk = 0.0030488 k( 109) = ( -0.1841476 0.1841476 0.1841476), wk = 0.0030488 k( 110) = ( -0.1770650 0.1770650 0.1770650), wk = 0.0030488 k( 111) = ( -0.1699824 0.1699824 0.1699824), wk = 0.0030488 k( 112) = ( -0.1628998 0.1628998 0.1628998), wk = 0.0030488 k( 113) = ( -0.1558172 0.1558172 0.1558172), wk = 0.0030488 k( 114) = ( -0.1487346 0.1487346 0.1487346), wk = 0.0030488 k( 115) = ( -0.1416520 0.1416520 0.1416520), wk = 0.0030488 k( 116) = ( -0.1345694 0.1345694 0.1345694), wk = 0.0030488 k( 117) = ( -0.1274868 0.1274868 0.1274868), wk = 0.0030488 k( 118) = ( -0.1204042 0.1204042 0.1204042), wk = 0.0030488 k( 119) = ( -0.1133216 0.1133216 0.1133216), wk = 0.0030488 k( 120) = ( -0.1062390 0.1062390 0.1062390), wk = 0.0030488 k( 121) = ( -0.0991564 0.0991564 0.0991564), wk = 0.0030488 k( 122) = ( -0.0920738 0.0920738 0.0920738), wk = 0.0030488 k( 123) = ( -0.0849912 0.0849912 0.0849912), wk = 0.0030488 k( 124) = ( -0.0779086 0.0779086 0.0779086), wk = 0.0030488 k( 125) = ( -0.0708260 0.0708260 0.0708260), wk = 0.0030488 k( 126) = ( -0.0637434 0.0637434 0.0637434), wk = 0.0030488 k( 127) = ( -0.0566608 0.0566608 0.0566608), wk = 0.0030488 k( 128) = ( -0.0495782 0.0495782 0.0495782), wk = 0.0030488 k( 129) = ( -0.0424956 0.0424956 0.0424956), wk = 0.0030488 k( 130) = ( -0.0354130 0.0354130 0.0354130), wk = 0.0030488 k( 131) = ( -0.0283304 0.0283304 0.0283304), wk = 0.0030488 k( 132) = ( -0.0212478 0.0212478 0.0212478), wk = 0.0030488 k( 133) = ( -0.0141652 0.0141652 0.0141652), wk = 0.0030488 k( 134) = ( -0.0070826 0.0070826 0.0070826), wk = 0.0030488 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 137) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0030488 k( 138) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0030488 k( 139) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0030488 k( 140) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0030488 k( 141) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0030488 k( 142) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0030488 k( 143) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0030488 k( 144) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0030488 k( 145) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0030488 k( 146) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0030488 k( 147) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0030488 k( 148) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0030488 k( 149) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0030488 k( 150) = ( 0.2258064 0.2258065 -0.2258065), wk = 0.0030488 k( 151) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0030488 k( 152) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0030488 k( 153) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0030488 k( 154) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0030488 k( 155) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0030488 k( 156) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0030488 k( 157) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0030488 k( 158) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0030488 k( 159) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0030488 k( 160) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0030488 k( 161) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0030488 k( 162) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0030488 k( 163) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0030488 k( 164) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0030488 k( 165) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0030488 k( 166) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0030488 k( 167) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030488 k( 168) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030488 k( 169) = ( 0.4930162 0.5069838 -0.4930162), wk = 0.0030488 k( 170) = ( 0.4860324 0.5139676 -0.4860324), wk = 0.0030488 k( 171) = ( 0.4790485 0.5209515 -0.4790485), wk = 0.0030488 k( 172) = ( 0.4720647 0.5279353 -0.4720647), wk = 0.0030488 k( 173) = ( 0.4650809 0.5349191 -0.4650809), wk = 0.0030488 k( 174) = ( 0.4580971 0.5419029 -0.4580971), wk = 0.0030488 k( 175) = ( 0.4511133 0.5488867 -0.4511133), wk = 0.0030488 k( 176) = ( 0.4441294 0.5558705 -0.4441295), wk = 0.0030488 k( 177) = ( 0.4371456 0.5628544 -0.4371456), wk = 0.0030488 k( 178) = ( 0.4301618 0.5698382 -0.4301618), wk = 0.0030488 k( 179) = ( 0.4231780 0.5768220 -0.4231780), wk = 0.0030488 k( 180) = ( 0.4161942 0.5838058 -0.4161942), wk = 0.0030488 k( 181) = ( 0.4092104 0.5907897 -0.4092104), wk = 0.0030488 k( 182) = ( 0.4022265 0.5977735 -0.4022265), wk = 0.0030488 k( 183) = ( 0.3952427 0.6047573 -0.3952427), wk = 0.0030488 k( 184) = ( 0.3882589 0.6117411 -0.3882589), wk = 0.0030488 k( 185) = ( 0.3812751 0.6187249 -0.3812751), wk = 0.0030488 k( 186) = ( 0.3742913 0.6257087 -0.3742913), wk = 0.0030488 k( 187) = ( 0.3673074 0.6326926 -0.3673074), wk = 0.0030488 k( 188) = ( 0.3603236 0.6396764 -0.3603236), wk = 0.0030488 k( 189) = ( 0.3533398 0.6466602 -0.3533398), wk = 0.0030488 k( 190) = ( 0.3463560 0.6536440 -0.3463560), wk = 0.0030488 k( 191) = ( 0.3393722 0.6606278 -0.3393722), wk = 0.0030488 k( 192) = ( 0.3323883 0.6676117 -0.3323884), wk = 0.0030488 k( 193) = ( 0.3254045 0.6745955 -0.3254045), wk = 0.0030488 k( 194) = ( 0.3184207 0.6815793 -0.3184207), wk = 0.0030488 k( 195) = ( 0.3114369 0.6885631 -0.3114369), wk = 0.0030488 k( 196) = ( 0.3044531 0.6955469 -0.3044531), wk = 0.0030488 k( 197) = ( 0.2974693 0.7025307 -0.2974693), wk = 0.0030488 k( 198) = ( 0.2974693 0.7025307 -0.2974693), wk = 0.0030488 k( 199) = ( 0.2799711 0.6906172 -0.2799711), wk = 0.0030488 k( 200) = ( 0.2624729 0.6787036 -0.2624729), wk = 0.0030488 k( 201) = ( 0.2449747 0.6667900 -0.2449747), wk = 0.0030488 k( 202) = ( 0.2274765 0.6548765 -0.2274765), wk = 0.0030488 k( 203) = ( 0.2099783 0.6429629 -0.2099783), wk = 0.0030488 k( 204) = ( 0.1924801 0.6310493 -0.1924801), wk = 0.0030488 k( 205) = ( 0.1749819 0.6191357 -0.1749819), wk = 0.0030488 k( 206) = ( 0.1574837 0.6072222 -0.1574837), wk = 0.0030488 k( 207) = ( 0.1399855 0.5953086 -0.1399855), wk = 0.0030488 k( 208) = ( 0.1224873 0.5833950 -0.1224873), wk = 0.0030488 k( 209) = ( 0.1049892 0.5714814 -0.1049892), wk = 0.0030488 k( 210) = ( 0.0874910 0.5595679 -0.0874910), wk = 0.0030488 k( 211) = ( 0.0699928 0.5476543 -0.0699928), wk = 0.0030488 k( 212) = ( 0.0524946 0.5357407 -0.0524946), wk = 0.0030488 k( 213) = ( 0.0349964 0.5238272 -0.0349964), wk = 0.0030488 k( 214) = ( 0.0174982 0.5119136 -0.0174982), wk = 0.0030488 k( 215) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 216) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 217) = ( 0.0071429 0.4928571 0.0071429), wk = 0.0030488 k( 218) = ( 0.0142857 0.4857143 0.0142857), wk = 0.0030488 k( 219) = ( 0.0214286 0.4785714 0.0214286), wk = 0.0030488 k( 220) = ( 0.0285714 0.4714286 0.0285714), wk = 0.0030488 k( 221) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0030488 k( 222) = ( 0.0428571 0.4571429 0.0428571), wk = 0.0030488 k( 223) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0030488 k( 224) = ( 0.0571429 0.4428571 0.0571429), wk = 0.0030488 k( 225) = ( 0.0642857 0.4357143 0.0642857), wk = 0.0030488 k( 226) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0030488 k( 227) = ( 0.0785714 0.4214286 0.0785714), wk = 0.0030488 k( 228) = ( 0.0857143 0.4142857 0.0857143), wk = 0.0030488 k( 229) = ( 0.0928571 0.4071429 0.0928571), wk = 0.0030488 k( 230) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0030488 k( 231) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0030488 k( 232) = ( 0.1142857 0.3857143 0.1142857), wk = 0.0030488 k( 233) = ( 0.1214286 0.3785714 0.1214286), wk = 0.0030488 k( 234) = ( 0.1285714 0.3714286 0.1285714), wk = 0.0030488 k( 235) = ( 0.1357143 0.3642857 0.1357143), wk = 0.0030488 k( 236) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0030488 k( 237) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0030488 k( 238) = ( 0.1571429 0.3428571 0.1571429), wk = 0.0030488 k( 239) = ( 0.1642857 0.3357143 0.1642857), wk = 0.0030488 k( 240) = ( 0.1714286 0.3285714 0.1714286), wk = 0.0030488 k( 241) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0030488 k( 242) = ( 0.1857143 0.3142857 0.1857143), wk = 0.0030488 k( 243) = ( 0.1928571 0.3071429 0.1928571), wk = 0.0030488 k( 244) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0030488 k( 245) = ( 0.2071429 0.2928571 0.2071429), wk = 0.0030488 k( 246) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0030488 k( 247) = ( 0.2214286 0.2785714 0.2214286), wk = 0.0030488 k( 248) = ( 0.2285714 0.2714286 0.2285714), wk = 0.0030488 k( 249) = ( 0.2357143 0.2642857 0.2357143), wk = 0.0030488 k( 250) = ( 0.2428571 0.2571429 0.2428571), wk = 0.0030488 k( 251) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 k( 252) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 k( 253) = ( 0.2638889 0.2638889 0.2308368), wk = 0.0030488 k( 254) = ( 0.2777778 0.2777778 0.2116735), wk = 0.0030488 k( 255) = ( 0.2916667 0.2916667 0.1925102), wk = 0.0030488 k( 256) = ( 0.3055556 0.3055556 0.1733470), wk = 0.0030488 k( 257) = ( 0.3194444 0.3194444 0.1541838), wk = 0.0030488 k( 258) = ( 0.3333333 0.3333333 0.1350205), wk = 0.0030488 k( 259) = ( 0.3472222 0.3472222 0.1158572), wk = 0.0030488 k( 260) = ( 0.3611111 0.3611111 0.0966940), wk = 0.0030488 k( 261) = ( 0.3750000 0.3750000 0.0775308), wk = 0.0030488 k( 262) = ( 0.3888889 0.3888889 0.0583675), wk = 0.0030488 k( 263) = ( 0.4027778 0.4027778 0.0392042), wk = 0.0030488 k( 264) = ( 0.4166667 0.4166667 0.0200410), wk = 0.0030488 k( 265) = ( 0.4305556 0.4305556 0.0008777), wk = 0.0030488 k( 266) = ( 0.4444444 0.4444444 -0.0182855), wk = 0.0030488 k( 267) = ( 0.4583333 0.4583333 -0.0374488), wk = 0.0030488 k( 268) = ( 0.4722222 0.4722222 -0.0566120), wk = 0.0030488 k( 269) = ( 0.4861111 0.4861111 -0.0757753), wk = 0.0030488 k( 270) = ( 0.5000000 0.5000000 -0.0949385), wk = 0.0030488 k( 271) = ( 0.5000000 0.5000000 -0.0949385), wk = 0.0030488 k( 272) = ( 0.5000000 0.5000000 -0.1050650), wk = 0.0030488 k( 273) = ( 0.5000000 0.5000000 -0.1151916), wk = 0.0030488 k( 274) = ( 0.5000000 0.5000000 -0.1253181), wk = 0.0030488 k( 275) = ( 0.5000000 0.5000000 -0.1354447), wk = 0.0030488 k( 276) = ( 0.5000000 0.5000000 -0.1455712), wk = 0.0030488 k( 277) = ( 0.5000000 0.5000000 -0.1556977), wk = 0.0030488 k( 278) = ( 0.5000000 0.5000000 -0.1658243), wk = 0.0030488 k( 279) = ( 0.5000000 0.5000000 -0.1759508), wk = 0.0030488 k( 280) = ( 0.5000000 0.5000000 -0.1860773), wk = 0.0030488 k( 281) = ( 0.5000000 0.5000000 -0.1962039), wk = 0.0030488 k( 282) = ( 0.5000000 0.5000000 -0.2063304), wk = 0.0030488 k( 283) = ( 0.5000000 0.5000000 -0.2164570), wk = 0.0030488 k( 284) = ( 0.5000000 0.5000000 -0.2265835), wk = 0.0030488 k( 285) = ( 0.5000000 0.5000000 -0.2367100), wk = 0.0030488 k( 286) = ( 0.5000000 0.5000000 -0.2468366), wk = 0.0030488 k( 287) = ( 0.5000000 0.5000000 -0.2569631), wk = 0.0030488 k( 288) = ( 0.5000000 0.5000000 -0.2670896), wk = 0.0030488 k( 289) = ( 0.5000000 0.5000000 -0.2772162), wk = 0.0030488 k( 290) = ( 0.5000000 0.5000000 -0.2873427), wk = 0.0030488 k( 291) = ( 0.5000000 0.5000000 -0.2974693), wk = 0.0030488 k( 292) = ( 0.5000000 0.5000000 -0.3075958), wk = 0.0030488 k( 293) = ( 0.5000000 0.5000000 -0.3177223), wk = 0.0030488 k( 294) = ( 0.5000000 0.5000000 -0.3278489), wk = 0.0030488 k( 295) = ( 0.5000000 0.5000000 -0.3379754), wk = 0.0030488 k( 296) = ( 0.5000000 0.5000000 -0.3481019), wk = 0.0030488 k( 297) = ( 0.5000000 0.5000000 -0.3582285), wk = 0.0030488 k( 298) = ( 0.5000000 0.5000000 -0.3683550), wk = 0.0030488 k( 299) = ( 0.5000000 0.5000000 -0.3784816), wk = 0.0030488 k( 300) = ( 0.5000000 0.5000000 -0.3886081), wk = 0.0030488 k( 301) = ( 0.5000000 0.5000000 -0.3987346), wk = 0.0030488 k( 302) = ( 0.5000000 0.5000000 -0.4088612), wk = 0.0030488 k( 303) = ( 0.5000000 0.5000000 -0.4189877), wk = 0.0030488 k( 304) = ( 0.5000000 0.5000000 -0.4291142), wk = 0.0030488 k( 305) = ( 0.5000000 0.5000000 -0.4392408), wk = 0.0030488 k( 306) = ( 0.5000000 0.5000000 -0.4493673), wk = 0.0030488 k( 307) = ( 0.5000000 0.5000000 -0.4594939), wk = 0.0030488 k( 308) = ( 0.5000000 0.5000000 -0.4696204), wk = 0.0030488 k( 309) = ( 0.5000000 0.5000000 -0.4797469), wk = 0.0030488 k( 310) = ( 0.5000000 0.5000000 -0.4898735), wk = 0.0030488 k( 311) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030488 k( 312) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 313) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0030488 k( 314) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0030488 k( 315) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0030488 k( 316) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0030488 k( 317) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0030488 k( 318) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0030488 k( 319) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0030488 k( 320) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030488 k( 321) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0030488 k( 322) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0030488 k( 323) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0030488 k( 324) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0030488 k( 325) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0030488 k( 326) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0030488 k( 327) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0030488 k( 328) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 Dense grid: 104777 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 26209 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 190, 48) NL pseudopotentials 0.19 Mb ( 95, 130) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.02 Mb ( 2910) G-vector shells 0.01 Mb ( 1337) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 190, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) The potential is recalculated from file : ./SrxGeAux2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.5 secs Computing kpt #: 10 total cpu time spent up to now is 8.1 secs Computing kpt #: 11 total cpu time spent up to now is 8.6 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.8 secs Computing kpt #: 16 total cpu time spent up to now is 11.4 secs Computing kpt #: 17 total cpu time spent up to now is 12.0 secs Computing kpt #: 18 total cpu time spent up to now is 12.6 secs Computing kpt #: 19 total cpu time spent up to now is 13.3 secs Computing kpt #: 20 total cpu time spent up to now is 14.0 secs Computing kpt #: 21 total cpu time spent up to now is 14.7 secs Computing kpt #: 22 total cpu time spent up to now is 15.4 secs Computing kpt #: 23 total cpu time spent up to now is 16.3 secs Computing kpt #: 24 total cpu time spent up to now is 17.1 secs Computing kpt #: 25 total cpu time spent up to now is 18.0 secs Computing kpt #: 26 total cpu time spent up to now is 18.9 secs Computing kpt #: 27 total cpu time spent up to now is 19.5 secs Computing kpt #: 28 total cpu time spent up to now is 20.2 secs Computing kpt #: 29 total cpu time spent up to now is 20.8 secs Computing kpt #: 30 total cpu time spent up to now is 21.4 secs Computing kpt #: 31 total cpu time spent up to now is 22.0 secs Computing kpt #: 32 total cpu time spent up to now is 22.5 secs Computing kpt #: 33 total cpu time spent up to now is 23.1 secs Computing kpt #: 34 total cpu time spent up to now is 23.6 secs Computing kpt #: 35 total cpu time spent up to now is 24.1 secs Computing kpt #: 36 total cpu time spent up to now is 24.6 secs Computing kpt #: 37 total cpu time spent up to now is 25.2 secs Computing kpt #: 38 total cpu time spent up to now is 25.9 secs Computing kpt #: 39 total cpu time spent up to now is 26.6 secs Computing kpt #: 40 total cpu time spent up to now is 27.2 secs Computing kpt #: 41 total cpu time spent up to now is 27.7 secs Computing kpt #: 42 total cpu time spent up to now is 28.2 secs Computing kpt #: 43 total cpu time spent up to now is 28.7 secs Computing kpt #: 44 total cpu time spent up to now is 29.2 secs Computing kpt #: 45 total cpu time spent up to now is 29.7 secs Computing kpt #: 46 total cpu time spent up to now is 30.3 secs Computing kpt #: 47 total cpu time spent up to now is 30.9 secs Computing kpt #: 48 total cpu time spent up to now is 31.4 secs Computing kpt #: 49 total cpu time spent up to now is 31.9 secs Computing kpt #: 50 total cpu time spent up to now is 32.4 secs Computing kpt #: 51 total cpu time spent up to now is 32.9 secs Computing kpt #: 52 total cpu time spent up to now is 33.5 secs Computing kpt #: 53 total cpu time spent up to now is 34.1 secs Computing kpt #: 54 total cpu time spent up to now is 34.6 secs Computing kpt #: 55 total cpu time spent up to now is 35.2 secs Computing kpt #: 56 total cpu time spent up to now is 35.8 secs Computing kpt #: 57 total cpu time spent up to now is 36.4 secs Computing kpt #: 58 total cpu time spent up to now is 37.0 secs Computing kpt #: 59 total cpu time spent up to now is 37.6 secs Computing kpt #: 60 total cpu time spent up to now is 38.2 secs Computing kpt #: 61 total cpu time spent up to now is 38.9 secs Computing kpt #: 62 total cpu time spent up to now is 39.5 secs Computing kpt #: 63 total cpu time spent up to now is 40.2 secs Computing kpt #: 64 total cpu time spent up to now is 40.8 secs Computing kpt #: 65 total cpu time spent up to now is 41.5 secs Computing kpt #: 66 total cpu time spent up to now is 42.1 secs Computing kpt #: 67 total cpu time spent up to now is 42.8 secs Computing kpt #: 68 total cpu time spent up to now is 43.4 secs Computing kpt #: 69 total cpu time spent up to now is 44.0 secs Computing kpt #: 70 total cpu time spent up to now is 44.6 secs Computing kpt #: 71 total cpu time spent up to now is 45.3 secs Computing kpt #: 72 total cpu time spent up to now is 45.9 secs Computing kpt #: 73 total cpu time spent up to now is 46.5 secs Computing kpt #: 74 total cpu time spent up to now is 47.1 secs Computing kpt #: 75 total cpu time spent up to now is 47.7 secs Computing kpt #: 76 total cpu time spent up to now is 48.3 secs Computing kpt #: 77 total cpu time spent up to now is 48.9 secs Computing kpt #: 78 total cpu time spent up to now is 49.5 secs Computing kpt #: 79 total cpu time spent up to now is 50.1 secs Computing kpt #: 80 total cpu time spent up to now is 50.8 secs Computing kpt #: 81 total cpu time spent up to now is 51.4 secs Computing kpt #: 82 total cpu time spent up to now is 52.0 secs Computing kpt #: 83 total cpu time spent up to now is 52.7 secs Computing kpt #: 84 total cpu time spent up to now is 53.3 secs Computing kpt #: 85 total cpu time spent up to now is 53.9 secs Computing kpt #: 86 total cpu time spent up to now is 54.5 secs Computing kpt #: 87 total cpu time spent up to now is 55.1 secs Computing kpt #: 88 total cpu time spent up to now is 55.7 secs Computing kpt #: 89 total cpu time spent up to now is 56.3 secs Computing kpt #: 90 total cpu time spent up to now is 56.9 secs Computing kpt #: 91 total cpu time spent up to now is 57.5 secs Computing kpt #: 92 total cpu time spent up to now is 58.1 secs Computing kpt #: 93 total cpu time spent up to now is 58.8 secs Computing kpt #: 94 total cpu time spent up to now is 59.4 secs Computing kpt #: 95 total cpu time spent up to now is 60.0 secs Computing kpt #: 96 total cpu time spent up to now is 60.6 secs Computing kpt #: 97 total cpu time spent up to now is 61.2 secs Computing kpt #: 98 total cpu time spent up to now is 61.9 secs Computing kpt #: 99 total cpu time spent up to now is 62.5 secs Computing kpt #: 100 total cpu time spent up to now is 63.1 secs Computing kpt #: 101 total cpu time spent up to now is 63.7 secs Computing kpt #: 102 total cpu time spent up to now is 64.3 secs Computing kpt #: 103 total cpu time spent up to now is 65.0 secs Computing kpt #: 104 total cpu time spent up to now is 65.6 secs Computing kpt #: 105 total cpu time spent up to now is 66.2 secs Computing kpt #: 106 total cpu time spent up to now is 66.9 secs Computing kpt #: 107 total cpu time spent up to now is 67.5 secs Computing kpt #: 108 total cpu time spent up to now is 68.2 secs Computing kpt #: 109 total cpu time spent up to now is 68.8 secs Computing kpt #: 110 total cpu time spent up to now is 69.5 secs Computing kpt #: 111 total cpu time spent up to now is 70.1 secs Computing kpt #: 112 total cpu time spent up to now is 70.8 secs Computing kpt #: 113 total cpu time spent up to now is 71.4 secs Computing kpt #: 114 total cpu time spent up to now is 72.1 secs Computing kpt #: 115 total cpu time spent up to now is 72.7 secs Computing kpt #: 116 total cpu time spent up to now is 73.4 secs Computing kpt #: 117 total cpu time spent up to now is 74.1 secs Computing kpt #: 118 total cpu time spent up to now is 74.7 secs Computing kpt #: 119 total cpu time spent up to now is 75.4 secs Computing kpt #: 120 total cpu time spent up to now is 76.1 secs Computing kpt #: 121 total cpu time spent up to now is 76.8 secs Computing kpt #: 122 total cpu time spent up to now is 77.5 secs Computing kpt #: 123 total cpu time spent up to now is 78.1 secs Computing kpt #: 124 total cpu time spent up to now is 78.8 secs Computing kpt #: 125 total cpu time spent up to now is 79.4 secs Computing kpt #: 126 total cpu time spent up to now is 80.0 secs Computing kpt #: 127 total cpu time spent up to now is 80.5 secs Computing kpt #: 128 total cpu time spent up to now is 81.1 secs Computing kpt #: 129 total cpu time spent up to now is 81.6 secs Computing kpt #: 130 total cpu time spent up to now is 82.1 secs Computing kpt #: 131 total cpu time spent up to now is 82.6 secs Computing kpt #: 132 total cpu time spent up to now is 83.2 secs Computing kpt #: 133 total cpu time spent up to now is 83.7 secs Computing kpt #: 134 total cpu time spent up to now is 84.2 secs Computing kpt #: 135 total cpu time spent up to now is 84.8 secs Computing kpt #: 136 total cpu time spent up to now is 85.3 secs Computing kpt #: 137 total cpu time spent up to now is 85.8 secs Computing kpt #: 138 total cpu time spent up to now is 86.3 secs Computing kpt #: 139 total cpu time spent up to now is 86.8 secs Computing kpt #: 140 total cpu time spent up to now is 87.3 secs Computing kpt #: 141 total cpu time spent up to now is 87.9 secs Computing kpt #: 142 total cpu time spent up to now is 88.4 secs Computing kpt #: 143 total cpu time spent up to now is 88.9 secs Computing kpt #: 144 total cpu time spent up to now is 89.4 secs Computing kpt #: 145 total cpu time spent up to now is 89.9 secs Computing kpt #: 146 total cpu time spent up to now is 90.5 secs Computing kpt #: 147 total cpu time spent up to now is 91.0 secs Computing kpt #: 148 total cpu time spent up to now is 91.5 secs Computing kpt #: 149 total cpu time spent up to now is 92.0 secs Computing kpt #: 150 total cpu time spent up to now is 92.6 secs Computing kpt #: 151 total cpu time spent up to now is 93.1 secs Computing kpt #: 152 total cpu time spent up to now is 93.7 secs Computing kpt #: 153 total cpu time spent up to now is 94.3 secs Computing kpt #: 154 total cpu time spent up to now is 95.0 secs Computing kpt #: 155 total cpu time spent up to now is 95.7 secs Computing kpt #: 156 total cpu time spent up to now is 96.3 secs Computing kpt #: 157 total cpu time spent up to now is 96.9 secs Computing kpt #: 158 total cpu time spent up to now is 97.4 secs Computing kpt #: 159 total cpu time spent up to now is 98.1 secs Computing kpt #: 160 total cpu time spent up to now is 98.6 secs Computing kpt #: 161 total cpu time spent up to now is 99.1 secs Computing kpt #: 162 total cpu time spent up to now is 99.7 secs Computing kpt #: 163 total cpu time spent up to now is 100.3 secs Computing kpt #: 164 total cpu time spent up to now is 100.9 secs Computing kpt #: 165 total cpu time spent up to now is 101.5 secs Computing kpt #: 166 total cpu time spent up to now is 102.1 secs Computing kpt #: 167 total cpu time spent up to now is 102.7 secs Computing kpt #: 168 total cpu time spent up to now is 103.3 secs Computing kpt #: 169 total cpu time spent up to now is 103.9 secs Computing kpt #: 170 total cpu time spent up to now is 104.5 secs Computing kpt #: 171 total cpu time spent up to now is 105.2 secs Computing kpt #: 172 total cpu time spent up to now is 105.8 secs Computing kpt #: 173 total cpu time spent up to now is 106.4 secs Computing kpt #: 174 total cpu time spent up to now is 107.0 secs Computing kpt #: 175 total cpu time spent up to now is 107.7 secs Computing kpt #: 176 total cpu time spent up to now is 108.3 secs Computing kpt #: 177 total cpu time spent up to now is 109.0 secs Computing kpt #: 178 total cpu time spent up to now is 109.7 secs Computing kpt #: 179 total cpu time spent up to now is 110.4 secs Computing kpt #: 180 total cpu time spent up to now is 111.2 secs Computing kpt #: 181 total cpu time spent up to now is 111.9 secs Computing kpt #: 182 total cpu time spent up to now is 112.6 secs Computing kpt #: 183 total cpu time spent up to now is 113.3 secs Computing kpt #: 184 total cpu time spent up to now is 114.0 secs Computing kpt #: 185 total cpu time spent up to now is 114.7 secs Computing kpt #: 186 total cpu time spent up to now is 115.3 secs Computing kpt #: 187 total cpu time spent up to now is 115.9 secs Computing kpt #: 188 total cpu time spent up to now is 116.5 secs Computing kpt #: 189 total cpu time spent up to now is 117.2 secs Computing kpt #: 190 total cpu time spent up to now is 117.8 secs Computing kpt #: 191 total cpu time spent up to now is 118.4 secs Computing kpt #: 192 total cpu time spent up to now is 119.0 secs Computing kpt #: 193 total cpu time spent up to now is 119.6 secs Computing kpt #: 194 total cpu time spent up to now is 120.3 secs Computing kpt #: 195 total cpu time spent up to now is 120.9 secs Computing kpt #: 196 total cpu time spent up to now is 121.5 secs Computing kpt #: 197 total cpu time spent up to now is 122.1 secs Computing kpt #: 198 total cpu time spent up to now is 122.7 secs Computing kpt #: 199 total cpu time spent up to now is 123.3 secs Computing kpt #: 200 total cpu time spent up to now is 123.9 secs Computing kpt #: 201 total cpu time spent up to now is 124.5 secs Computing kpt #: 202 total cpu time spent up to now is 125.0 secs Computing kpt #: 203 total cpu time spent up to now is 125.5 secs Computing kpt #: 204 total cpu time spent up to now is 126.0 secs Computing kpt #: 205 total cpu time spent up to now is 126.6 secs Computing kpt #: 206 total cpu time spent up to now is 127.1 secs Computing kpt #: 207 total cpu time spent up to now is 127.6 secs Computing kpt #: 208 total cpu time spent up to now is 128.1 secs Computing kpt #: 209 total cpu time spent up to now is 128.6 secs Computing kpt #: 210 total cpu time spent up to now is 129.1 secs Computing kpt #: 211 total cpu time spent up to now is 129.7 secs Computing kpt #: 212 total cpu time spent up to now is 130.2 secs Computing kpt #: 213 total cpu time spent up to now is 130.7 secs Computing kpt #: 214 total cpu time spent up to now is 131.2 secs Computing kpt #: 215 total cpu time spent up to now is 131.7 secs Computing kpt #: 216 total cpu time spent up to now is 132.2 secs Computing kpt #: 217 total cpu time spent up to now is 132.7 secs Computing kpt #: 218 total cpu time spent up to now is 133.2 secs Computing kpt #: 219 total cpu time spent up to now is 133.8 secs Computing kpt #: 220 total cpu time spent up to now is 134.3 secs Computing kpt #: 221 total cpu time spent up to now is 134.8 secs Computing kpt #: 222 total cpu time spent up to now is 135.4 secs Computing kpt #: 223 total cpu time spent up to now is 136.0 secs Computing kpt #: 224 total cpu time spent up to now is 136.6 secs Computing kpt #: 225 total cpu time spent up to now is 137.2 secs Computing kpt #: 226 total cpu time spent up to now is 137.8 secs Computing kpt #: 227 total cpu time spent up to now is 138.7 secs Computing kpt #: 228 total cpu time spent up to now is 139.7 secs Computing kpt #: 229 total cpu time spent up to now is 141.1 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.6 secs Computing kpt #: 231 total cpu time spent up to now is 143.5 secs Computing kpt #: 232 total cpu time spent up to now is 144.3 secs Computing kpt #: 233 total cpu time spent up to now is 145.0 secs Computing kpt #: 234 total cpu time spent up to now is 145.6 secs Computing kpt #: 235 total cpu time spent up to now is 146.2 secs Computing kpt #: 236 total cpu time spent up to now is 146.8 secs Computing kpt #: 237 total cpu time spent up to now is 147.4 secs Computing kpt #: 238 total cpu time spent up to now is 148.0 secs Computing kpt #: 239 total cpu time spent up to now is 148.6 secs Computing kpt #: 240 total cpu time spent up to now is 149.1 secs Computing kpt #: 241 total cpu time spent up to now is 149.7 secs Computing kpt #: 242 total cpu time spent up to now is 150.3 secs Computing kpt #: 243 total cpu time spent up to now is 150.9 secs Computing kpt #: 244 total cpu time spent up to now is 151.5 secs Computing kpt #: 245 total cpu time spent up to now is 152.1 secs Computing kpt #: 246 total cpu time spent up to now is 152.7 secs Computing kpt #: 247 total cpu time spent up to now is 153.4 secs Computing kpt #: 248 total cpu time spent up to now is 154.1 secs Computing kpt #: 249 total cpu time spent up to now is 154.9 secs Computing kpt #: 250 total cpu time spent up to now is 155.9 secs Computing kpt #: 251 total cpu time spent up to now is 156.8 secs Computing kpt #: 252 total cpu time spent up to now is 157.6 secs Computing kpt #: 253 total cpu time spent up to now is 158.3 secs Computing kpt #: 254 total cpu time spent up to now is 159.0 secs Computing kpt #: 255 total cpu time spent up to now is 159.6 secs Computing kpt #: 256 total cpu time spent up to now is 160.3 secs Computing kpt #: 257 total cpu time spent up to now is 160.9 secs Computing kpt #: 258 total cpu time spent up to now is 161.5 secs Computing kpt #: 259 total cpu time spent up to now is 162.1 secs Computing kpt #: 260 total cpu time spent up to now is 162.7 secs Computing kpt #: 261 total cpu time spent up to now is 163.3 secs Computing kpt #: 262 total cpu time spent up to now is 163.9 secs Computing kpt #: 263 total cpu time spent up to now is 164.5 secs Computing kpt #: 264 total cpu time spent up to now is 165.1 secs Computing kpt #: 265 total cpu time spent up to now is 165.7 secs Computing kpt #: 266 total cpu time spent up to now is 166.3 secs Computing kpt #: 267 total cpu time spent up to now is 166.9 secs Computing kpt #: 268 total cpu time spent up to now is 167.5 secs Computing kpt #: 269 total cpu time spent up to now is 168.2 secs Computing kpt #: 270 total cpu time spent up to now is 168.9 secs Computing kpt #: 271 total cpu time spent up to now is 169.5 secs Computing kpt #: 272 total cpu time spent up to now is 170.2 secs Computing kpt #: 273 total cpu time spent up to now is 170.8 secs Computing kpt #: 274 total cpu time spent up to now is 171.5 secs Computing kpt #: 275 total cpu time spent up to now is 172.1 secs Computing kpt #: 276 total cpu time spent up to now is 172.8 secs Computing kpt #: 277 total cpu time spent up to now is 173.5 secs Computing kpt #: 278 total cpu time spent up to now is 174.1 secs Computing kpt #: 279 total cpu time spent up to now is 174.7 secs Computing kpt #: 280 total cpu time spent up to now is 175.3 secs Computing kpt #: 281 total cpu time spent up to now is 175.9 secs Computing kpt #: 282 total cpu time spent up to now is 176.5 secs Computing kpt #: 283 total cpu time spent up to now is 177.1 secs Computing kpt #: 284 total cpu time spent up to now is 177.8 secs Computing kpt #: 285 total cpu time spent up to now is 178.4 secs Computing kpt #: 286 total cpu time spent up to now is 179.1 secs Computing kpt #: 287 total cpu time spent up to now is 179.7 secs Computing kpt #: 288 total cpu time spent up to now is 180.4 secs Computing kpt #: 289 total cpu time spent up to now is 181.0 secs Computing kpt #: 290 total cpu time spent up to now is 181.6 secs Computing kpt #: 291 total cpu time spent up to now is 182.3 secs Computing kpt #: 292 total cpu time spent up to now is 182.9 secs Computing kpt #: 293 total cpu time spent up to now is 183.5 secs Computing kpt #: 294 total cpu time spent up to now is 184.2 secs Computing kpt #: 295 total cpu time spent up to now is 184.8 secs Computing kpt #: 296 total cpu time spent up to now is 185.5 secs Computing kpt #: 297 total cpu time spent up to now is 186.1 secs Computing kpt #: 298 total cpu time spent up to now is 186.8 secs Computing kpt #: 299 total cpu time spent up to now is 187.5 secs Computing kpt #: 300 total cpu time spent up to now is 188.2 secs Computing kpt #: 301 total cpu time spent up to now is 188.9 secs Computing kpt #: 302 total cpu time spent up to now is 189.6 secs Computing kpt #: 303 total cpu time spent up to now is 190.3 secs Computing kpt #: 304 total cpu time spent up to now is 190.9 secs Computing kpt #: 305 total cpu time spent up to now is 191.5 secs Computing kpt #: 306 total cpu time spent up to now is 192.2 secs Computing kpt #: 307 total cpu time spent up to now is 192.8 secs Computing kpt #: 308 total cpu time spent up to now is 193.4 secs Computing kpt #: 309 total cpu time spent up to now is 194.0 secs Computing kpt #: 310 total cpu time spent up to now is 194.6 secs Computing kpt #: 311 total cpu time spent up to now is 195.2 secs Computing kpt #: 312 total cpu time spent up to now is 195.8 secs Computing kpt #: 313 total cpu time spent up to now is 196.3 secs Computing kpt #: 314 total cpu time spent up to now is 196.8 secs Computing kpt #: 315 total cpu time spent up to now is 197.3 secs Computing kpt #: 316 total cpu time spent up to now is 197.8 secs Computing kpt #: 317 total cpu time spent up to now is 198.4 secs Computing kpt #: 318 total cpu time spent up to now is 199.0 secs Computing kpt #: 319 total cpu time spent up to now is 199.6 secs Computing kpt #: 320 total cpu time spent up to now is 200.1 secs Computing kpt #: 321 total cpu time spent up to now is 200.7 secs Computing kpt #: 322 total cpu time spent up to now is 201.4 secs Computing kpt #: 323 total cpu time spent up to now is 202.0 secs Computing kpt #: 324 total cpu time spent up to now is 202.6 secs Computing kpt #: 325 total cpu time spent up to now is 203.2 secs Computing kpt #: 326 total cpu time spent up to now is 203.9 secs Computing kpt #: 327 total cpu time spent up to now is 204.6 secs Computing kpt #: 328 total cpu time spent up to now is 205.5 secs ethr = 2.50E-08, avg # of iterations = 26.1 total cpu time spent up to now is 205.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3269 PWs) bands (ev): -24.4135 -24.4135 -7.2499 -7.2499 -6.1240 -6.1240 -6.1064 -6.1064 -0.5065 -0.5065 2.1899 2.1899 4.1228 4.1228 4.6325 4.6325 4.6809 4.6809 5.1569 5.1569 5.8605 5.8605 6.5090 6.5090 6.7161 6.7161 6.7565 6.7565 7.1963 7.1963 7.4354 7.4354 7.8962 7.8962 9.0696 9.0696 9.5608 9.5608 11.4322 11.4322 11.5125 11.5125 11.6824 11.6824 11.8331 11.8331 13.3489 13.3489 k = 0.0000 0.0000 0.0191 ( 3267 PWs) bands (ev): -24.4135 -24.4135 -7.2499 -7.2499 -6.1240 -6.1240 -6.1065 -6.1065 -0.5052 -0.5052 2.1903 2.1903 4.1238 4.1238 4.6313 4.6313 4.6827 4.6827 5.1567 5.1567 5.8595 5.8595 6.5054 6.5054 6.7155 6.7155 6.7593 6.7593 7.1970 7.1970 7.4347 7.4347 7.8926 7.8926 9.0676 9.0676 9.5554 9.5554 11.3998 11.3998 11.5273 11.5273 11.6943 11.6943 11.8470 11.8470 13.3568 13.3568 k = 0.0000 0.0000 0.0381 ( 3259 PWs) bands (ev): -24.4134 -24.4134 -7.2501 -7.2501 -6.1241 -6.1241 -6.1069 -6.1069 -0.5011 -0.5011 2.1914 2.1914 4.1266 4.1266 4.6280 4.6280 4.6877 4.6877 5.1559 5.1559 5.8566 5.8566 6.4954 6.4954 6.7136 6.7136 6.7670 6.7670 7.1991 7.1991 7.4328 7.4328 7.8818 7.8818 9.0614 9.0614 9.5399 9.5399 11.3321 11.3321 11.5535 11.5535 11.7118 11.7118 11.8952 11.8952 13.3796 13.3796 k = 0.0000 0.0000 0.0572 ( 3263 PWs) bands (ev): -24.4134 -24.4134 -7.2503 -7.2503 -6.1243 -6.1243 -6.1074 -6.1074 -0.4944 -0.4944 2.1932 2.1932 4.1313 4.1313 4.6235 4.6235 4.6950 4.6950 5.1547 5.1547 5.8517 5.8517 6.4805 6.4805 6.7104 6.7104 6.7777 6.7777 7.2029 7.2029 7.4295 7.4295 7.8640 7.8640 9.0511 9.0511 9.5167 9.5167 11.2529 11.2529 11.5665 11.5665 11.7388 11.7388 11.9745 11.9745 13.4152 13.4152 k = 0.0000 0.0000 0.0762 ( 3259 PWs) bands (ev): -24.4134 -24.4134 -7.2506 -7.2506 -6.1245 -6.1245 -6.1081 -6.1081 -0.4850 -0.4850 2.1957 2.1957 4.1378 4.1378 4.6186 4.6186 4.7039 4.7039 5.1531 5.1531 5.8450 5.8450 6.4626 6.4626 6.7059 6.7059 6.7892 6.7892 7.2086 7.2086 7.4245 7.4245 7.8394 7.8394 9.0367 9.0367 9.4888 9.4888 11.1699 11.1699 11.5457 11.5457 11.8011 11.8011 12.0716 12.0716 13.4607 13.4607 k = 0.0000 0.0000 0.0953 ( 3263 PWs) bands (ev): -24.4133 -24.4133 -7.2511 -7.2511 -6.1248 -6.1248 -6.1090 -6.1090 -0.4730 -0.4730 2.1989 2.1989 4.1458 4.1458 4.6135 4.6135 4.7140 4.7140 5.1512 5.1512 5.8364 5.8364 6.4432 6.4432 6.7001 6.7001 6.7993 6.7993 7.2165 7.2165 7.4176 7.4176 7.8087 7.8087 9.0181 9.0181 9.4593 9.4593 11.0863 11.0863 11.4989 11.4989 11.8945 11.8945 12.1791 12.1791 13.5127 13.5127 k = 0.0000 0.0000 0.1144 ( 3259 PWs) bands (ev): -24.4133 -24.4133 -7.2516 -7.2516 -6.1252 -6.1252 -6.1101 -6.1101 -0.4585 -0.4585 2.2028 2.2028 4.1552 4.1552 4.6087 4.6087 4.7252 4.7252 5.1492 5.1492 5.8262 5.8262 6.4233 6.4233 6.6931 6.6931 6.8065 6.8065 7.2268 7.2268 7.4083 7.4083 7.7728 7.7728 8.9960 8.9960 9.4306 9.4306 11.0033 11.0033 11.4383 11.4383 12.0079 12.0079 12.2943 12.2943 13.5683 13.5683 k = 0.0000 0.0000 0.1334 ( 3257 PWs) bands (ev): -24.4132 -24.4132 -7.2522 -7.2522 -6.1257 -6.1257 -6.1114 -6.1114 -0.4414 -0.4414 2.2073 2.2073 4.1657 4.1657 4.6043 4.6043 4.7373 4.7373 5.1471 5.1471 5.8143 5.8143 6.4035 6.4035 6.6849 6.6849 6.8094 6.8094 7.2393 7.2393 7.3958 7.3958 7.7333 7.7333 8.9710 8.9710 9.4046 9.4046 10.9215 10.9215 11.3702 11.3702 12.1346 12.1346 12.4162 12.4162 13.6249 13.6249 k = 0.0000 0.0000 0.1525 ( 3253 PWs) bands (ev): -24.4131 -24.4131 -7.2529 -7.2529 -6.1262 -6.1262 -6.1128 -6.1128 -0.4219 -0.4219 2.2125 2.2125 4.1769 4.1769 4.6006 4.6006 4.7501 4.7501 5.1451 5.1451 5.8011 5.8011 6.3843 6.3843 6.6756 6.6756 6.8074 6.8074 7.2537 7.2537 7.3793 7.3793 7.6921 7.6921 8.9442 8.9442 9.3819 9.3819 10.8413 10.8413 11.2981 11.2981 12.2704 12.2704 12.5448 12.5448 13.6804 13.6804 k = 0.0000 0.0000 0.1716 ( 3253 PWs) bands (ev): -24.4130 -24.4130 -7.2536 -7.2536 -6.1269 -6.1269 -6.1143 -6.1143 -0.4000 -0.4000 2.2183 2.2183 4.1885 4.1885 4.5978 4.5978 4.7637 4.7637 5.1433 5.1433 5.7868 5.7868 6.3656 6.3656 6.6652 6.6652 6.7998 6.7998 7.2688 7.2688 7.3580 7.3580 7.6518 7.6518 8.9167 8.9167 9.3627 9.3627 10.7626 10.7626 11.2242 11.2242 12.4119 12.4119 12.6805 12.6805 13.7334 13.7334 k = 0.0000 0.0000 0.1906 ( 3251 PWs) bands (ev): -24.4129 -24.4129 -7.2544 -7.2544 -6.1276 -6.1276 -6.1159 -6.1159 -0.3759 -0.3759 2.2247 2.2247 4.1998 4.1998 4.5962 4.5962 4.7778 4.7778 5.1420 5.1420 5.7716 5.7716 6.3473 6.3473 6.6539 6.6539 6.7867 6.7867 7.2814 7.2814 7.3336 7.3336 7.6153 7.6153 8.8895 8.8895 9.3468 9.3468 10.6857 10.6857 11.1499 11.1499 12.5565 12.5565 12.8241 12.8241 13.7832 13.7832 k = 0.0000 0.0000 0.2097 ( 3251 PWs) bands (ev): -24.4128 -24.4128 -7.2553 -7.2553 -6.1285 -6.1285 -6.1175 -6.1175 -0.3496 -0.3496 2.2317 2.2317 4.2104 4.2104 4.5963 4.5963 4.7925 4.7925 5.1413 5.1413 5.7560 5.7560 6.3289 6.3289 6.6416 6.6416 6.7679 6.7679 7.2754 7.2754 7.3210 7.3210 7.5847 7.5847 8.8634 8.8634 9.3338 9.3338 10.6105 10.6105 11.0764 11.0764 12.7020 12.7020 12.9759 12.9759 13.8291 13.8291 k = 0.0000 0.0000 0.2287 ( 3249 PWs) bands (ev): -24.4127 -24.4127 -7.2563 -7.2563 -6.1296 -6.1296 -6.1191 -6.1191 -0.3213 -0.3213 2.2391 2.2391 4.2195 4.2195 4.5985 4.5985 4.8076 4.8076 5.1412 5.1412 5.7402 5.7402 6.3099 6.3099 6.6284 6.6284 6.7440 6.7440 7.2416 7.2416 7.3292 7.3292 7.5611 7.5611 8.8388 8.8388 9.3232 9.3232 10.5369 10.5369 11.0045 11.0045 12.8472 12.8472 13.1359 13.1359 13.8711 13.8711 k = 0.0000 0.0000 0.2478 ( 3241 PWs) bands (ev): -24.4125 -24.4125 -7.2573 -7.2573 -6.1308 -6.1308 -6.1207 -6.1207 -0.2911 -0.2911 2.2471 2.2471 4.2266 4.2266 4.6032 4.6032 4.8230 4.8230 5.1421 5.1421 5.7247 5.7247 6.2892 6.2892 6.6141 6.6141 6.7156 6.7156 7.1994 7.1994 7.3401 7.3401 7.5444 7.5444 8.8160 8.8160 9.3147 9.3147 10.4650 10.4650 10.9347 10.9347 12.9914 12.9914 13.3034 13.3034 13.9090 13.9090 k = 0.0000 0.0000 0.2669 ( 3235 PWs) bands (ev): -24.4124 -24.4124 -7.2584 -7.2584 -6.1323 -6.1323 -6.1221 -6.1221 -0.2591 -0.2591 2.2555 2.2555 4.2310 4.2310 4.6109 4.6109 4.8385 4.8385 5.1441 5.1441 5.7097 5.7097 6.2655 6.2655 6.5988 6.5988 6.6842 6.6842 7.1555 7.1555 7.3482 7.3482 7.5342 7.5342 8.7950 8.7950 9.3081 9.3081 10.3946 10.3946 10.8675 10.8675 13.1349 13.1349 13.4772 13.4772 13.9430 13.9430 k = 0.0000 0.0000 0.2859 ( 3247 PWs) bands (ev): -24.4123 -24.4123 -7.2595 -7.2595 -6.1340 -6.1340 -6.1235 -6.1235 -0.2254 -0.2254 2.2642 2.2642 4.2324 4.2324 4.6217 4.6217 4.8538 4.8538 5.1471 5.1471 5.6957 5.6957 6.2374 6.2374 6.5820 6.5820 6.6520 6.6520 7.1129 7.1129 7.3517 7.3517 7.5296 7.5296 8.7760 8.7760 9.3031 9.3031 10.3257 10.3257 10.8031 10.8031 13.2779 13.2779 13.6561 13.6561 13.9729 13.9729 k = 0.0000 0.0000 0.3050 ( 3251 PWs) bands (ev): -24.4121 -24.4121 -7.2606 -7.2606 -6.1359 -6.1359 -6.1247 -6.1247 -0.1903 -0.1903 2.2734 2.2734 4.2307 4.2307 4.6357 4.6357 4.8687 4.8687 5.1515 5.1515 5.6830 5.6830 6.2033 6.2033 6.5636 6.5636 6.6218 6.6218 7.0731 7.0731 7.3503 7.3503 7.5296 7.5296 8.7587 8.7587 9.2996 9.2996 10.2583 10.2583 10.7415 10.7415 13.4208 13.4208 13.8387 13.8387 13.9988 13.9988 k = 0.0000 0.0000 0.3240 ( 3247 PWs) bands (ev): -24.4120 -24.4120 -7.2618 -7.2618 -6.1380 -6.1380 -6.1258 -6.1258 -0.1538 -0.1538 2.2828 2.2828 4.2258 4.2258 4.6526 4.6526 4.8829 4.8829 5.1573 5.1573 5.6717 5.6717 6.1620 6.1620 6.5442 6.5442 6.5955 6.5955 7.0367 7.0367 7.3443 7.3443 7.5325 7.5325 8.7430 8.7430 9.2976 9.2976 10.1922 10.1922 10.6829 10.6829 13.5637 13.5637 14.0202 14.0202 14.0235 14.0235 k = 0.0000 0.0000 0.3431 ( 3255 PWs) bands (ev): -24.4118 -24.4118 -7.2630 -7.2630 -6.1402 -6.1402 -6.1268 -6.1268 -0.1162 -0.1162 2.2925 2.2925 4.2182 4.2182 4.6722 4.6722 4.8959 4.8959 5.1646 5.1646 5.6622 5.6622 6.1133 6.1133 6.5251 6.5251 6.5736 6.5736 7.0038 7.0038 7.3345 7.3345 7.5367 7.5367 8.7287 8.7287 9.2971 9.2971 10.1274 10.1274 10.6270 10.6270 13.7067 13.7067 14.0367 14.0367 14.2085 14.2085 k = 0.0000 0.0000 0.3622 ( 3251 PWs) bands (ev): -24.4116 -24.4116 -7.2642 -7.2642 -6.1425 -6.1425 -6.1277 -6.1277 -0.0777 -0.0777 2.3024 2.3024 4.2082 4.2082 4.6938 4.6938 4.9073 4.9073 5.1734 5.1734 5.6546 5.6546 6.0583 6.0583 6.5085 6.5085 6.5550 6.5550 6.9741 6.9741 7.3218 7.3218 7.5409 7.5409 8.7156 8.7156 9.2980 9.2980 10.0638 10.0638 10.5737 10.5737 13.8496 13.8496 14.0474 14.0474 14.3888 14.3888 k = 0.0000 0.0000 0.3812 ( 3253 PWs) bands (ev): -24.4115 -24.4115 -7.2655 -7.2655 -6.1449 -6.1449 -6.1286 -6.1286 -0.0384 -0.0384 2.3125 2.3125 4.1963 4.1963 4.7171 4.7171 4.9167 4.9167 5.1836 5.1836 5.6486 5.6486 5.9990 5.9990 6.4954 6.4954 6.5384 6.5384 6.9475 6.9475 7.3069 7.3069 7.5441 7.5441 8.7036 8.7036 9.3004 9.3004 10.0014 10.0014 10.5226 10.5226 13.9914 13.9914 14.0512 14.0512 14.5291 14.5291 k = 0.0000 0.0000 0.4003 ( 3249 PWs) bands (ev): -24.4113 -24.4113 -7.2667 -7.2667 -6.1473 -6.1473 -6.1294 -6.1294 0.0015 0.0015 2.3226 2.3226 4.1829 4.1829 4.7415 4.7415 4.9235 4.9235 5.1948 5.1948 5.6441 5.6441 5.9383 5.9383 6.4858 6.4858 6.5234 6.5234 6.9235 6.9235 7.2902 7.2902 7.5455 7.5455 8.6924 8.6924 9.3043 9.3043 9.9402 9.9402 10.4734 10.4734 14.0445 14.0445 14.1329 14.1329 14.5660 14.5660 k = 0.0000 0.0000 0.4193 ( 3246 PWs) bands (ev): -24.4111 -24.4111 -7.2680 -7.2680 -6.1497 -6.1497 -6.1302 -6.1302 0.0418 0.0418 2.3329 2.3329 4.1686 4.1686 4.7666 4.7666 4.9274 4.9274 5.2066 5.2066 5.6401 5.6401 5.8798 5.8798 6.4794 6.4794 6.5096 6.5096 6.9021 6.9021 7.2722 7.2722 7.5446 7.5446 8.6819 8.6819 9.3096 9.3096 9.8802 9.8802 10.4256 10.4256 14.0280 14.0280 14.2675 14.2675 14.5782 14.5782 k = 0.0000 0.0000 0.4384 ( 3250 PWs) bands (ev): -24.4109 -24.4109 -7.2692 -7.2692 -6.1522 -6.1522 -6.1310 -6.1310 0.0822 0.0822 2.3431 2.3431 4.1538 4.1538 4.7920 4.7920 4.9277 4.9277 5.2181 5.2181 5.6346 5.6346 5.8277 5.8277 6.4757 6.4757 6.4970 6.4970 6.8828 6.8828 7.2530 7.2530 7.5411 7.5411 8.6720 8.6720 9.3163 9.3163 9.8213 9.8213 10.3786 10.3786 13.9982 13.9982 14.3855 14.3855 14.5999 14.5999 k = 0.0000 0.0000 0.4575 ( 3254 PWs) bands (ev): -24.4108 -24.4108 -7.2704 -7.2704 -6.1546 -6.1546 -6.1317 -6.1317 0.1226 0.1226 2.3532 2.3532 4.1388 4.1388 4.8173 4.8173 4.9241 4.9241 5.2284 5.2284 5.6246 5.6246 5.7878 5.7878 6.4740 6.4740 6.4860 6.4860 6.8658 6.8658 7.2331 7.2331 7.5350 7.5350 8.6626 8.6626 9.3243 9.3243 9.7637 9.7637 10.3319 10.3319 13.9545 13.9545 14.4565 14.4565 14.6598 14.6598 k = 0.0000 0.0000 0.4765 ( 3256 PWs) bands (ev): -24.4106 -24.4106 -7.2716 -7.2716 -6.1569 -6.1569 -6.1324 -6.1324 0.1627 0.1627 2.3633 2.3633 4.1242 4.1242 4.8420 4.8420 4.9161 4.9161 5.2363 5.2363 5.6073 5.6073 5.7649 5.7649 6.4725 6.4725 6.4780 6.4780 6.8508 6.8508 7.2125 7.2125 7.5260 7.5260 8.6535 8.6535 9.3333 9.3333 9.7076 9.7076 10.2848 10.2848 13.8981 13.8981 14.4707 14.4707 14.7303 14.7303 k = 0.0000 0.0000 0.4956 ( 3264 PWs) bands (ev): -24.4104 -24.4104 -7.2728 -7.2728 -6.1592 -6.1592 -6.1331 -6.1331 0.2023 0.2023 2.3732 2.3732 4.1101 4.1101 4.8644 4.8644 4.9047 4.9047 5.2410 5.2410 5.5852 5.5852 5.7585 5.7585 6.4667 6.4667 6.4779 6.4779 6.8380 6.8380 7.1915 7.1915 7.5144 7.5144 8.6448 8.6448 9.3427 9.3427 9.6535 9.6535 10.2366 10.2366 13.8325 13.8325 14.4541 14.4541 14.7088 14.7088 k = 0.0000 0.0000 0.5147 ( 3264 PWs) bands (ev): -24.4102 -24.4102 -7.2740 -7.2740 -6.1615 -6.1615 -6.1337 -6.1337 0.2412 0.2412 2.3829 2.3829 4.0969 4.0969 4.8705 4.8705 4.9030 4.9030 5.2422 5.2422 5.5641 5.5641 5.7636 5.7636 6.4610 6.4610 6.4810 6.4810 6.8272 6.8272 7.1702 7.1702 7.5002 7.5002 8.6363 8.6363 9.3515 9.3515 9.6023 9.6023 10.1867 10.1867 13.7620 13.7620 14.4188 14.4188 14.6882 14.6882 k = 0.0000 0.0000 0.5337 ( 3268 PWs) bands (ev): -24.4101 -24.4101 -7.2751 -7.2751 -6.1636 -6.1636 -6.1343 -6.1343 0.2793 0.2793 2.3924 2.3924 4.0849 4.0849 4.8485 4.8485 4.9222 4.9222 5.2407 5.2407 5.5480 5.5480 5.7755 5.7755 6.4575 6.4575 6.4857 6.4857 6.8185 6.8185 7.1490 7.1490 7.4835 7.4835 8.6280 8.6280 9.3574 9.3574 9.5561 9.5561 10.1342 10.1342 13.6912 13.6912 14.3683 14.3683 14.6776 14.6776 k = 0.0000 0.0000 0.5528 ( 3276 PWs) bands (ev): -24.4099 -24.4099 -7.2762 -7.2762 -6.1657 -6.1657 -6.1349 -6.1349 0.3162 0.3162 2.4016 2.4016 4.0742 4.0742 4.8161 4.8161 4.9449 4.9449 5.2379 5.2379 5.5377 5.5377 5.7912 5.7912 6.4567 6.4567 6.4917 6.4917 6.8120 6.8120 7.1278 7.1278 7.4647 7.4647 8.6199 8.6199 9.3559 9.3559 9.5193 9.5193 10.0788 10.0788 13.6239 13.6239 14.3055 14.3055 14.6747 14.6747 k = 0.0000 0.0000 0.5718 ( 3278 PWs) bands (ev): -24.4097 -24.4097 -7.2773 -7.2773 -6.1677 -6.1677 -6.1355 -6.1355 0.3519 0.3519 2.4105 2.4105 4.0650 4.0650 4.7773 4.7773 4.9678 4.9678 5.2357 5.2357 5.5323 5.5323 5.8085 5.8085 6.4588 6.4588 6.4991 6.4991 6.8077 6.8077 7.1071 7.1071 7.4439 7.4439 8.6120 8.6120 9.3405 9.3405 9.4981 9.4981 10.0199 10.0199 13.5631 13.5631 14.2330 14.2330 14.6771 14.6771 k = 0.0000 0.0000 0.5909 ( 3264 PWs) bands (ev): -24.4095 -24.4095 -7.2783 -7.2783 -6.1696 -6.1696 -6.1360 -6.1360 0.3862 0.3862 2.4190 2.4190 4.0575 4.0575 4.7338 4.7338 4.9903 4.9903 5.2354 5.2354 5.5302 5.5302 5.8260 5.8260 6.4637 6.4637 6.5083 6.5083 6.8057 6.8057 7.0869 7.0869 7.4217 7.4217 8.6044 8.6044 9.3096 9.3096 9.4940 9.4940 9.9574 9.9574 13.5108 13.5108 14.1536 14.1536 14.6832 14.6832 k = 0.0000 0.0000 0.6100 ( 3276 PWs) bands (ev): -24.4094 -24.4094 -7.2792 -7.2792 -6.1715 -6.1715 -6.1365 -6.1365 0.4189 0.4189 2.4272 2.4272 4.0517 4.0517 4.6870 4.6870 5.0124 5.0124 5.2377 5.2377 5.5298 5.5298 5.8423 5.8423 6.4708 6.4708 6.5202 6.5202 6.8061 6.8061 7.0675 7.0675 7.3982 7.3982 8.5969 8.5969 9.2684 9.2684 9.5008 9.5008 9.8913 9.8913 13.4687 13.4687 14.0697 14.0697 14.6917 14.6917 k = 0.0000 0.0000 0.6290 ( 3272 PWs) bands (ev): -24.4092 -24.4092 -7.2802 -7.2802 -6.1732 -6.1732 -6.1370 -6.1370 0.4499 0.4499 2.4349 2.4349 4.0476 4.0476 4.6384 4.6384 5.0340 5.0340 5.2429 5.2429 5.5301 5.5301 5.8563 5.8563 6.4787 6.4787 6.5360 6.5360 6.8089 6.8089 7.0492 7.0492 7.3740 7.3740 8.5898 8.5898 9.2223 9.2223 9.5124 9.5124 9.8226 9.8226 13.4375 13.4375 13.9835 13.9835 14.7015 14.7015 k = 0.0000 0.0000 0.6481 ( 3264 PWs) bands (ev): -24.4091 -24.4091 -7.2811 -7.2811 -6.1748 -6.1748 -6.1374 -6.1374 0.4791 0.4791 2.4423 2.4423 4.0453 4.0453 4.5891 4.5891 5.0549 5.0549 5.2512 5.2512 5.5303 5.5303 5.8672 5.8672 6.4860 6.4860 6.5569 6.5569 6.8140 6.8140 7.0324 7.0324 7.3496 7.3496 8.5829 8.5829 9.1742 9.1742 9.5233 9.5233 9.7537 9.7537 13.4179 13.4179 13.8964 13.8964 14.7122 14.7122 k = 0.0000 0.0000 0.6671 ( 3264 PWs) bands (ev): -24.4089 -24.4089 -7.2819 -7.2819 -6.1763 -6.1763 -6.1378 -6.1378 0.5064 0.5064 2.4492 2.4492 4.0446 4.0446 4.5401 4.5401 5.0753 5.0753 5.2624 5.2624 5.5300 5.5300 5.8746 5.8746 6.4917 6.4917 6.5831 6.5831 6.8210 6.8210 7.0179 7.0179 7.3254 7.3254 8.5763 8.5763 9.1252 9.1252 9.5248 9.5248 9.6922 9.6922 13.4100 13.4100 13.8100 13.8100 14.7230 14.7230 k = 0.0000 0.0000 0.6862 ( 3268 PWs) bands (ev): -24.4088 -24.4088 -7.2827 -7.2827 -6.1777 -6.1777 -6.1382 -6.1382 0.5317 0.5317 2.4556 2.4556 4.0456 4.0456 4.4923 4.4923 5.0951 5.0951 5.2762 5.2762 5.5288 5.5288 5.8783 5.8783 6.4957 6.4957 6.6139 6.6139 6.8292 6.8292 7.0068 7.0068 7.3022 7.3022 8.5701 8.5701 9.0759 9.0759 9.4988 9.4988 9.6559 9.6559 13.4136 13.4136 13.7251 13.7251 14.7336 14.7336 k = 0.0000 0.0000 0.7053 ( 3260 PWs) bands (ev): -24.4087 -24.4087 -7.2834 -7.2834 -6.1791 -6.1791 -6.1385 -6.1385 0.5551 0.5551 2.4616 2.4616 4.0479 4.0479 4.4463 4.4463 5.1144 5.1144 5.2926 5.2926 5.5267 5.5267 5.8783 5.8783 6.4980 6.4980 6.6479 6.6479 6.8370 6.8370 7.0007 7.0007 7.2807 7.2807 8.5642 8.5642 9.0266 9.0266 9.4382 9.4382 9.6522 9.6522 13.4282 13.4282 13.6429 13.6429 14.7438 14.7438 k = 0.0000 0.0000 0.7243 ( 3274 PWs) bands (ev): -24.4085 -24.4085 -7.2841 -7.2841 -6.1803 -6.1803 -6.1388 -6.1388 0.5765 0.5765 2.4672 2.4672 4.0516 4.0516 4.4024 4.4024 5.1332 5.1332 5.3112 5.3112 5.5235 5.5235 5.8749 5.8749 6.4988 6.4988 6.6833 6.6833 6.8426 6.8426 7.0015 7.0015 7.2618 7.2618 8.5587 8.5587 8.9773 8.9773 9.3602 9.3602 9.6646 9.6646 13.4532 13.4532 13.5641 13.5641 14.7531 14.7531 k = 0.0000 0.0000 0.7434 ( 3274 PWs) bands (ev): -24.4084 -24.4084 -7.2847 -7.2847 -6.1814 -6.1814 -6.1391 -6.1391 0.5959 0.5959 2.4722 2.4722 4.0562 4.0562 4.3612 4.3612 5.1516 5.1516 5.3317 5.3317 5.5192 5.5192 5.8683 5.8683 6.4984 6.4984 6.7182 6.7182 6.8446 6.8446 7.0106 7.0106 7.2469 7.2469 8.5535 8.5535 8.9276 8.9276 9.2763 9.2763 9.6827 9.6827 13.4799 13.4799 13.4971 13.4971 14.7613 14.7613 k = 0.0000 0.0000 0.7624 ( 3272 PWs) bands (ev): -24.4083 -24.4083 -7.2853 -7.2853 -6.1824 -6.1824 -6.1394 -6.1394 0.6133 0.6133 2.4768 2.4768 4.0617 4.0617 4.3228 4.3228 5.1697 5.1697 5.3537 5.3537 5.5142 5.5142 5.8588 5.8588 6.4970 6.4970 6.7500 6.7500 6.8438 6.8438 7.0265 7.0265 7.2384 7.2384 8.5487 8.5487 8.8768 8.8768 9.1915 9.1915 9.7026 9.7026 13.4169 13.4169 13.5332 13.5332 14.7682 14.7682 k = 0.0000 0.0000 0.7815 ( 3268 PWs) bands (ev): -24.4082 -24.4082 -7.2858 -7.2858 -6.1833 -6.1833 -6.1396 -6.1396 0.6288 0.6288 2.4810 2.4810 4.0677 4.0677 4.2875 4.2875 5.1876 5.1876 5.3766 5.3766 5.5086 5.5086 5.8466 5.8466 6.4949 6.4949 6.7744 6.7744 6.8445 6.8445 7.0446 7.0446 7.2398 7.2398 8.5443 8.5443 8.8239 8.8239 9.1096 9.1096 9.7228 9.7228 13.3514 13.3514 13.5841 13.5841 14.7735 14.7735 k = 0.0000 0.0000 0.8006 ( 3272 PWs) bands (ev): -24.4081 -24.4081 -7.2862 -7.2862 -6.1841 -6.1841 -6.1398 -6.1398 0.6425 0.6425 2.4846 2.4846 4.0739 4.0739 4.2556 4.2556 5.2051 5.2051 5.3996 5.3996 5.5034 5.5034 5.8321 5.8321 6.4923 6.4923 6.7854 6.7854 6.8539 6.8539 7.0586 7.0586 7.2552 7.2552 8.5403 8.5403 8.7674 8.7674 9.0339 9.0339 9.7424 9.7424 13.2913 13.2913 13.6416 13.6416 14.7769 14.7769 k = 0.0000 0.0000 0.8196 ( 3276 PWs) bands (ev): -24.4080 -24.4080 -7.2866 -7.2866 -6.1848 -6.1848 -6.1400 -6.1400 0.6543 0.6543 2.4879 2.4879 4.0803 4.0803 4.2271 4.2271 5.2224 5.2224 5.4206 5.4206 5.5002 5.5002 5.8154 5.8154 6.4895 6.4895 6.7835 6.7835 6.8726 6.8726 7.0650 7.0650 7.2860 7.2860 8.5366 8.5366 8.7059 8.7059 8.9675 8.9675 9.7610 9.7610 13.2370 13.2370 13.7037 13.7037 14.7782 14.7782 k = 0.0000 0.0000 0.8387 ( 3272 PWs) bands (ev): -24.4080 -24.4080 -7.2870 -7.2870 -6.1854 -6.1854 -6.1401 -6.1401 0.6644 0.6644 2.4906 2.4906 4.0863 4.0863 4.2021 4.2021 5.2393 5.2393 5.4355 5.4355 5.5031 5.5031 5.7966 5.7966 6.4866 6.4866 6.7759 6.7759 6.8946 6.8946 7.0644 7.0644 7.3290 7.3290 8.5330 8.5330 8.6398 8.6398 8.9122 8.9122 9.7779 9.7779 13.1890 13.1890 13.7685 13.7685 14.7772 14.7772 k = 0.0000 0.0000 0.8578 ( 3274 PWs) bands (ev): -24.4079 -24.4079 -7.2873 -7.2873 -6.1860 -6.1860 -6.1402 -6.1402 0.6728 0.6728 2.4930 2.4930 4.0919 4.0919 4.1809 4.1809 5.2556 5.2556 5.4401 5.4401 5.5165 5.5165 5.7761 5.7761 6.4839 6.4839 6.7668 6.7668 6.9164 6.9164 7.0593 7.0593 7.3792 7.3792 8.5278 8.5278 8.5728 8.5728 8.8681 8.8681 9.7929 9.7929 13.1476 13.1476 13.8336 13.8336 14.7737 14.7737 k = 0.0000 0.0000 0.8768 ( 3278 PWs) bands (ev): -24.4079 -24.4079 -7.2875 -7.2875 -6.1864 -6.1864 -6.1403 -6.1403 0.6795 0.6795 2.4949 2.4949 4.0969 4.0969 4.1634 4.1634 5.2709 5.2709 5.4366 5.4366 5.5379 5.5379 5.7541 5.7541 6.4814 6.4814 6.7580 6.7580 6.9369 6.9369 7.0516 7.0516 7.4315 7.4315 8.4947 8.4947 8.5350 8.5350 8.8340 8.8340 9.8057 9.8057 13.1133 13.1133 13.8960 13.8960 14.7680 14.7680 k = 0.0000 0.0000 0.8959 ( 3270 PWs) bands (ev): -24.4078 -24.4078 -7.2877 -7.2877 -6.1867 -6.1867 -6.1404 -6.1404 0.6848 0.6848 2.4964 2.4964 4.1010 4.1010 4.1497 4.1497 5.2848 5.2848 5.4297 5.4297 5.5631 5.5631 5.7308 5.7308 6.4794 6.4794 6.7505 6.7505 6.9557 6.9557 7.0425 7.0425 7.4813 7.4813 8.4348 8.4348 8.5303 8.5303 8.8087 8.8087 9.8159 9.8159 13.0863 13.0863 13.9520 13.9520 14.7606 14.7606 k = 0.0000 0.0000 0.9149 ( 3276 PWs) bands (ev): -24.4078 -24.4078 -7.2878 -7.2878 -6.1870 -6.1870 -6.1405 -6.1405 0.6884 0.6884 2.4974 2.4974 4.1040 4.1040 4.1398 4.1398 5.2963 5.2963 5.4225 5.4225 5.5891 5.5891 5.7068 5.7068 6.4779 6.4779 6.7447 6.7447 6.9725 6.9725 7.0325 7.0325 7.5233 7.5233 8.3836 8.3836 8.5284 8.5284 8.7912 8.7912 9.8233 9.8233 13.0669 13.0669 13.9971 13.9971 14.7530 14.7530 k = 0.0000 0.0000 0.9340 ( 3264 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1871 -6.1871 -6.1405 -6.1405 0.6906 0.6906 2.4980 2.4980 4.1060 4.1060 4.1337 4.1337 5.3042 5.3042 5.4170 5.4170 5.6135 5.6135 5.6839 5.6839 6.4769 6.4769 6.7412 6.7412 6.9865 6.9865 7.0225 7.0225 7.5520 7.5520 8.3491 8.3491 8.5275 8.5275 8.7809 8.7809 9.8278 9.8278 13.0552 13.0552 14.0267 14.0267 14.7470 14.7470 k = 0.0000 0.0000 0.9531 ( 3272 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1871 -6.1871 -6.1405 -6.1405 0.6914 0.6914 2.4983 2.4983 4.1067 4.1067 4.1317 4.1317 5.3071 5.3071 5.4149 5.4149 5.6270 5.6270 5.6709 5.6709 6.4766 6.4766 6.7400 6.7400 6.9936 6.9936 7.0168 7.0168 7.5623 7.5623 8.3369 8.3369 8.5272 8.5272 8.7775 8.7775 9.8294 9.8294 13.0512 13.0512 14.0371 14.0371 14.7448 14.7448 k = 0.0000 0.0000 0.9531 ( 3272 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1871 -6.1871 -6.1405 -6.1405 0.6914 0.6914 2.4983 2.4983 4.1067 4.1067 4.1317 4.1317 5.3071 5.3071 5.4149 5.4149 5.6270 5.6270 5.6709 5.6709 6.4766 6.4766 6.7400 6.7400 6.9936 6.9936 7.0168 7.0168 7.5623 7.5623 8.3369 8.3369 8.5272 8.5272 8.7775 8.7775 9.8294 9.8294 13.0512 13.0512 14.0371 14.0371 14.7448 14.7448 k =-0.0095 0.0154 0.9531 ( 3264 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1871 -6.1871 -6.1405 -6.1405 0.6916 0.6916 2.4956 2.4956 4.1082 4.1082 4.1333 4.1333 5.3061 5.3061 5.4151 5.4151 5.6212 5.6212 5.6767 5.6767 6.4771 6.4771 6.7383 6.7383 6.9927 6.9927 7.0157 7.0157 7.5607 7.5607 8.3359 8.3359 8.5319 8.5319 8.7799 8.7799 9.8328 9.8328 13.0516 13.0516 14.0369 14.0369 14.7498 14.7498 k =-0.0190 0.0308 0.9531 ( 3272 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1869 -6.1869 -6.1406 -6.1406 0.6921 0.6921 2.4875 2.4875 4.1125 4.1125 4.1381 4.1381 5.3030 5.3030 5.4158 5.4158 5.6085 5.6085 5.6892 5.6892 6.4786 6.4786 6.7333 6.7333 6.9896 6.9896 7.0129 7.0129 7.5561 7.5561 8.3330 8.3330 8.5456 8.5456 8.7873 8.7873 9.8430 9.8430 13.0529 13.0529 14.0363 14.0363 14.7646 14.7646 k =-0.0285 0.0462 0.9531 ( 3284 PWs) bands (ev): -24.4078 -24.4078 -7.2878 -7.2878 -6.1867 -6.1867 -6.1406 -6.1406 0.6931 0.6931 2.4742 2.4742 4.1199 4.1199 4.1459 4.1459 5.2981 5.2981 5.4167 5.4167 5.5937 5.5937 5.7038 5.7038 6.4810 6.4810 6.7251 6.7251 6.9834 6.9834 7.0095 7.0095 7.5484 7.5484 8.3293 8.3293 8.5675 8.5675 8.7997 8.7997 9.8599 9.8599 13.0550 13.0550 14.0354 14.0354 14.7889 14.7889 k =-0.0380 0.0616 0.9531 ( 3286 PWs) bands (ev): -24.4079 -24.4079 -7.2876 -7.2876 -6.1863 -6.1863 -6.1407 -6.1407 0.6943 0.6943 2.4560 2.4560 4.1301 4.1301 4.1566 4.1566 5.2914 5.2914 5.4175 5.4175 5.5786 5.5786 5.7188 5.7188 6.4844 6.4844 6.7140 6.7140 6.9732 6.9732 7.0064 7.0064 7.5376 7.5376 8.3254 8.3254 8.5965 8.5965 8.8170 8.8170 9.8834 9.8834 13.0580 13.0580 14.0341 14.0341 14.8224 14.8224 k =-0.0475 0.0770 0.9531 ( 3286 PWs) bands (ev): -24.4079 -24.4079 -7.2874 -7.2874 -6.1858 -6.1858 -6.1408 -6.1408 0.6959 0.6959 2.4331 2.4331 4.1430 4.1430 4.1699 4.1699 5.2831 5.2831 5.4178 5.4178 5.5639 5.5639 5.7338 5.7338 6.4885 6.4885 6.7002 6.7002 6.9593 6.9593 7.0039 7.0039 7.5240 7.5240 8.3221 8.3221 8.6318 8.6318 8.8393 8.8393 9.9131 9.9131 13.0619 13.0619 14.0325 14.0325 14.8640 14.8640 k =-0.0570 0.0924 0.9531 ( 3286 PWs) bands (ev): -24.4079 -24.4079 -7.2872 -7.2872 -6.1852 -6.1852 -6.1410 -6.1410 0.6978 0.6978 2.4058 2.4058 4.1586 4.1586 4.1857 4.1857 5.2733 5.2733 5.4172 5.4172 5.5502 5.5502 5.7484 5.7484 6.4934 6.4934 6.6842 6.6842 6.9423 6.9423 7.0016 7.0016 7.5076 7.5076 8.3197 8.3197 8.6729 8.6729 8.8666 8.8666 9.9490 9.9490 13.0667 13.0667 14.0305 14.0305 14.9126 14.9126 k =-0.0665 0.1078 0.9531 ( 3292 PWs) bands (ev): -24.4080 -24.4080 -7.2869 -7.2869 -6.1845 -6.1845 -6.1412 -6.1412 0.6999 0.6999 2.3746 2.3746 4.1765 4.1765 4.2039 4.2039 5.2622 5.2622 5.4151 5.4151 5.5381 5.5381 5.7625 5.7625 6.4987 6.4987 6.6663 6.6663 6.9227 6.9227 6.9995 6.9995 7.4888 7.4888 8.3184 8.3184 8.7192 8.7192 8.8988 8.8988 9.9907 9.9907 13.0724 13.0724 14.0284 14.0284 14.9661 14.9661 k =-0.0760 0.1232 0.9531 ( 3280 PWs) bands (ev): -24.4081 -24.4081 -7.2866 -7.2866 -6.1837 -6.1837 -6.1413 -6.1413 0.7021 0.7021 2.3399 2.3399 4.1961 4.1961 4.2246 4.2246 5.2500 5.2500 5.4111 5.4111 5.5280 5.5280 5.7759 5.7759 6.5044 6.5044 6.6472 6.6472 6.9013 6.9013 6.9973 6.9973 7.4680 7.4680 8.3182 8.3182 8.7705 8.7705 8.9360 8.9360 10.0379 10.0379 13.0791 13.0791 14.0260 14.0260 15.0209 15.0209 k =-0.0854 0.1387 0.9531 ( 3280 PWs) bands (ev): -24.4081 -24.4081 -7.2862 -7.2862 -6.1828 -6.1828 -6.1416 -6.1416 0.7045 0.7045 2.3019 2.3019 4.2168 4.2168 4.2480 4.2480 5.2367 5.2367 5.4048 5.4048 5.5203 5.5203 5.7883 5.7883 6.5100 6.5100 6.6272 6.6272 6.8785 6.8785 6.9950 6.9950 7.4455 7.4455 8.3192 8.3192 8.8265 8.8265 8.9780 8.9780 10.0902 10.0902 13.0867 13.0867 14.0234 14.0234 15.0705 15.0705 k =-0.0949 0.1541 0.9531 ( 3280 PWs) bands (ev): -24.4082 -24.4082 -7.2858 -7.2858 -6.1818 -6.1818 -6.1418 -6.1418 0.7070 0.7070 2.2612 2.2612 4.2379 4.2379 4.2744 4.2744 5.2225 5.2225 5.3962 5.3962 5.5149 5.5149 5.7997 5.7997 6.5149 6.5149 6.6073 6.6073 6.8550 6.8550 6.9926 6.9926 7.4221 7.4221 8.3213 8.3213 8.8868 8.8868 9.0247 9.0247 10.1475 10.1475 13.0954 13.0954 14.0207 14.0207 15.1036 15.1036 k =-0.0949 0.1541 0.9531 ( 3280 PWs) bands (ev): -24.4082 -24.4082 -7.2858 -7.2858 -6.1818 -6.1818 -6.1418 -6.1418 0.7070 0.7070 2.2612 2.2612 4.2379 4.2379 4.2744 4.2744 5.2225 5.2225 5.3962 5.3962 5.5149 5.5149 5.7997 5.7997 6.5149 6.5149 6.6073 6.6073 6.8550 6.8550 6.9926 6.9926 7.4221 7.4221 8.3213 8.3213 8.8868 8.8868 9.0247 9.0247 10.1475 10.1475 13.0954 13.0954 14.0207 14.0207 15.1036 15.1036 k =-0.1019 0.1654 0.9397 ( 3281 PWs) bands (ev): -24.4083 -24.4083 -7.2855 -7.2855 -6.1810 -6.1810 -6.1419 -6.1419 0.7085 0.7085 2.2299 2.2299 4.2541 4.2541 4.2956 4.2956 5.2114 5.2114 5.3879 5.3879 5.5121 5.5121 5.8077 5.8077 6.5175 6.5175 6.5939 6.5939 6.8374 6.8374 6.9894 6.9894 7.4015 7.4015 8.3275 8.3275 8.9337 8.9337 9.0641 9.0641 10.1922 10.1922 13.1042 13.1042 14.0133 14.0133 15.1095 15.1095 k =-0.1089 0.1767 0.9264 ( 3281 PWs) bands (ev): -24.4084 -24.4084 -7.2851 -7.2851 -6.1802 -6.1802 -6.1420 -6.1420 0.7094 0.7094 2.1976 2.1976 4.2713 4.2713 4.3180 4.3180 5.1996 5.1996 5.3776 5.3776 5.5102 5.5102 5.8155 5.8155 6.5182 6.5182 6.5828 6.5828 6.8201 6.8201 6.9832 6.9832 7.3756 7.3756 8.3419 8.3419 8.9825 8.9825 9.1101 9.1101 10.2389 10.2389 13.1171 13.1171 13.9954 13.9954 15.0968 15.0968 k =-0.1159 0.1881 0.9131 ( 3283 PWs) bands (ev): -24.4085 -24.4085 -7.2847 -7.2847 -6.1794 -6.1794 -6.1420 -6.1420 0.7099 0.7099 2.1647 2.1647 4.2898 4.2898 4.3410 4.3410 5.1876 5.1876 5.3655 5.3655 5.5092 5.5092 5.8227 5.8227 6.5161 6.5161 6.5746 6.5746 6.8034 6.8034 6.9735 6.9735 7.3461 7.3461 8.3635 8.3635 9.0328 9.0328 9.1623 9.1623 10.2877 10.2877 13.1340 13.1340 13.9674 13.9674 15.0674 15.0674 k =-0.1229 0.1994 0.8998 ( 3282 PWs) bands (ev): -24.4086 -24.4086 -7.2843 -7.2843 -6.1786 -6.1786 -6.1419 -6.1419 0.7098 0.7098 2.1315 2.1315 4.3094 4.3094 4.3646 4.3646 5.1755 5.1755 5.3520 5.3520 5.5087 5.5087 5.8288 5.8288 6.5108 6.5108 6.5693 6.5693 6.7874 6.7874 6.9601 6.9601 7.3149 7.3149 8.3914 8.3914 9.0846 9.0846 9.2202 9.2202 10.3390 10.3390 13.1548 13.1548 13.9301 13.9301 15.0256 15.0256 k =-0.1299 0.2107 0.8865 ( 3282 PWs) bands (ev): -24.4086 -24.4086 -7.2838 -7.2838 -6.1779 -6.1779 -6.1416 -6.1416 0.7093 0.7093 2.0980 2.0980 4.3301 4.3301 4.3886 4.3886 5.1636 5.1636 5.3377 5.3377 5.5086 5.5086 5.8337 5.8337 6.5027 6.5027 6.5657 6.5657 6.7721 6.7721 6.9433 6.9433 7.2831 7.2831 8.4249 8.4249 9.1375 9.1375 9.2831 9.2831 10.3930 10.3930 13.1793 13.1793 13.8846 13.8846 14.9748 14.9748 k =-0.1368 0.2221 0.8732 ( 3276 PWs) bands (ev): -24.4087 -24.4087 -7.2834 -7.2834 -6.1773 -6.1773 -6.1412 -6.1412 0.7084 0.7084 2.0646 2.0646 4.3517 4.3517 4.4127 4.4127 5.1521 5.1521 5.3229 5.3229 5.5085 5.5085 5.8374 5.8374 6.4929 6.4929 6.5623 6.5623 6.7573 6.7573 6.9238 6.9238 7.2520 7.2520 8.4634 8.4634 9.1915 9.1915 9.3500 9.3500 10.4501 10.4501 13.2073 13.2073 13.8321 13.8321 14.9174 14.9174 k =-0.1438 0.2334 0.8599 ( 3274 PWs) bands (ev): -24.4089 -24.4089 -7.2829 -7.2829 -6.1768 -6.1768 -6.1406 -6.1406 0.7071 0.7071 2.0314 2.0314 4.3742 4.3742 4.4370 4.4370 5.1411 5.1411 5.3080 5.3080 5.5083 5.5083 5.8397 5.8397 6.4818 6.4818 6.5580 6.5580 6.7420 6.7420 6.9033 6.9033 7.2221 7.2221 8.5065 8.5065 9.2462 9.2462 9.4204 9.4204 10.5107 10.5107 13.2386 13.2386 13.7739 13.7739 14.8550 14.8550 k =-0.1508 0.2447 0.8466 ( 3274 PWs) bands (ev): -24.4090 -24.4090 -7.2824 -7.2824 -6.1765 -6.1765 -6.1397 -6.1397 0.7055 0.7055 1.9987 1.9987 4.3974 4.3974 4.4612 4.4612 5.1305 5.1305 5.2935 5.2935 5.5078 5.5078 5.8407 5.8407 6.4700 6.4700 6.5522 6.5522 6.7248 6.7248 6.8840 6.8840 7.1935 7.1935 8.5539 8.5539 9.3011 9.3011 9.4934 9.4934 10.5750 10.5750 13.2729 13.2729 13.7111 13.7111 14.7891 14.7891 k =-0.1578 0.2561 0.8333 ( 3270 PWs) bands (ev): -24.4091 -24.4091 -7.2819 -7.2819 -6.1763 -6.1763 -6.1387 -6.1387 0.7035 0.7035 1.9665 1.9665 4.4211 4.4211 4.4854 4.4854 5.1205 5.1205 5.2795 5.2795 5.5068 5.5068 5.8405 5.8405 6.4574 6.4574 6.5447 6.5447 6.7042 6.7042 6.8680 6.8680 7.1661 7.1661 8.6055 8.6055 9.3558 9.3558 9.5683 9.5683 10.6435 10.6435 13.3101 13.3101 13.6445 13.6445 14.7206 14.7206 k =-0.1648 0.2674 0.8199 ( 3268 PWs) bands (ev): -24.4092 -24.4092 -7.2813 -7.2813 -6.1763 -6.1763 -6.1375 -6.1375 0.7014 0.7014 1.9351 1.9351 4.4453 4.4453 4.5094 4.5094 5.1109 5.1109 5.2664 5.2664 5.5053 5.5053 5.8391 5.8391 6.4440 6.4440 6.5356 6.5356 6.6796 6.6796 6.8569 6.8569 7.1396 7.1396 8.6610 8.6610 9.4097 9.4097 9.6444 9.6444 10.7165 10.7165 13.3498 13.3498 13.5752 13.5752 14.6506 14.6506 k =-0.1718 0.2787 0.8066 ( 3262 PWs) bands (ev): -24.4093 -24.4093 -7.2808 -7.2808 -6.1764 -6.1764 -6.1361 -6.1361 0.6990 0.6990 1.9046 1.9046 4.4699 4.4699 4.5331 4.5331 5.1017 5.1017 5.2543 5.2543 5.5034 5.5034 5.8368 5.8368 6.4294 6.4294 6.5251 6.5251 6.6517 6.6517 6.8506 6.8506 7.1138 7.1138 8.7204 8.7204 9.4623 9.4623 9.7211 9.7211 10.7942 10.7942 13.3916 13.3916 13.5038 13.5038 14.5801 14.5801 k =-0.1787 0.2901 0.7933 ( 3260 PWs) bands (ev): -24.4094 -24.4094 -7.2803 -7.2803 -6.1766 -6.1766 -6.1346 -6.1346 0.6964 0.6964 1.8750 1.8750 4.4946 4.4946 4.5566 4.5566 5.0927 5.0927 5.2433 5.2433 5.5008 5.5008 5.8335 5.8335 6.4134 6.4134 6.5137 6.5137 6.6222 6.6222 6.8482 6.8482 7.0884 7.0884 8.7834 8.7834 9.5132 9.5132 9.7974 9.7974 10.8769 10.8769 13.4304 13.4304 13.4359 13.4359 14.5100 14.5100 k =-0.1857 0.3014 0.7800 ( 3266 PWs) bands (ev): -24.4095 -24.4095 -7.2799 -7.2799 -6.1770 -6.1770 -6.1329 -6.1329 0.6937 0.6937 1.8466 1.8466 4.5193 4.5193 4.5798 4.5798 5.0840 5.0840 5.2338 5.2338 5.4977 5.4977 5.8296 5.8296 6.3955 6.3955 6.5013 6.5013 6.5934 6.5934 6.8484 6.8484 7.0634 7.0634 8.8498 8.8498 9.5618 9.5618 9.8726 9.8726 10.9646 10.9646 13.3577 13.3577 13.4798 13.4798 14.4414 14.4414 k =-0.1927 0.3127 0.7667 ( 3264 PWs) bands (ev): -24.4097 -24.4097 -7.2794 -7.2794 -6.1775 -6.1775 -6.1312 -6.1312 0.6910 0.6910 1.8195 1.8195 4.5439 4.5439 4.6027 4.6027 5.0753 5.0753 5.2255 5.2255 5.4939 5.4939 5.8250 5.8250 6.3752 6.3752 6.4883 6.4883 6.5669 6.5669 6.8501 6.8501 7.0388 7.0388 8.9196 8.9196 9.6080 9.6080 9.9457 9.9457 11.0575 11.0575 13.2844 13.2844 13.5250 13.5250 14.3750 14.3750 k =-0.1997 0.3241 0.7534 ( 3262 PWs) bands (ev): -24.4098 -24.4098 -7.2789 -7.2789 -6.1780 -6.1780 -6.1294 -6.1294 0.6882 0.6882 1.7936 1.7936 4.5682 4.5682 4.6254 4.6254 5.0666 5.0666 5.2187 5.2187 5.4895 5.4895 5.8200 5.8200 6.3525 6.3525 6.4751 6.4751 6.5441 6.5441 6.8523 6.8523 7.0147 7.0147 8.9924 8.9924 9.6513 9.6513 10.0157 10.0157 11.1555 11.1555 13.2118 13.2118 13.5696 13.5696 14.3119 14.3119 k =-0.2067 0.3354 0.7401 ( 3263 PWs) bands (ev): -24.4099 -24.4099 -7.2785 -7.2785 -6.1786 -6.1786 -6.1276 -6.1276 0.6854 0.6854 1.7692 1.7692 4.5919 4.5919 4.6478 4.6478 5.0578 5.0578 5.2132 5.2132 5.4844 5.4844 5.8148 5.8148 6.3273 6.3273 6.4620 6.4620 6.5254 6.5254 6.8542 6.8542 6.9915 6.9915 9.0680 9.0680 9.6917 9.6917 10.0815 10.0815 11.2585 11.2585 13.1408 13.1408 13.6126 13.6126 14.2527 14.2527 k =-0.2137 0.3467 0.7268 ( 3269 PWs) bands (ev): -24.4100 -24.4100 -7.2781 -7.2781 -6.1792 -6.1792 -6.1258 -6.1258 0.6826 0.6826 1.7463 1.7463 4.6147 4.6147 4.6701 4.6701 5.0491 5.0491 5.2088 5.2088 5.4786 5.4786 5.8095 5.8095 6.3003 6.3003 6.4498 6.4498 6.5103 6.5103 6.8548 6.8548 6.9699 6.9699 9.1461 9.1461 9.7291 9.7291 10.1418 10.1418 11.3663 11.3663 13.0720 13.0720 13.6521 13.6521 14.1983 14.1983 k =-0.2206 0.3581 0.7134 ( 3266 PWs) bands (ev): -24.4101 -24.4101 -7.2777 -7.2777 -6.1798 -6.1798 -6.1240 -6.1240 0.6799 0.6799 1.7250 1.7250 4.6365 4.6365 4.6923 4.6923 5.0403 5.0403 5.2054 5.2054 5.4721 5.4721 5.8044 5.8044 6.2725 6.2725 6.4389 6.4389 6.4981 6.4981 6.8531 6.8531 6.9508 6.9508 9.2263 9.2263 9.7633 9.7633 10.1955 10.1955 11.4787 11.4787 13.0065 13.0065 13.6858 13.6858 14.1495 14.1495 k =-0.2276 0.3694 0.7001 ( 3262 PWs) bands (ev): -24.4102 -24.4102 -7.2773 -7.2773 -6.1804 -6.1804 -6.1223 -6.1223 0.6773 0.6773 1.7053 1.7053 4.6571 4.6571 4.7143 4.7143 5.0317 5.0317 5.2028 5.2028 5.4648 5.4648 5.7997 5.7997 6.2446 6.2446 6.4294 6.4294 6.4884 6.4884 6.8476 6.8476 6.9358 6.9358 9.3083 9.3083 9.7944 9.7944 10.2412 10.2412 11.5955 11.5955 12.9451 12.9451 13.7102 13.7102 14.1070 14.1070 k =-0.2346 0.3807 0.6868 ( 3264 PWs) bands (ev): -24.4103 -24.4103 -7.2770 -7.2770 -6.1810 -6.1810 -6.1206 -6.1206 0.6748 0.6748 1.6873 1.6873 4.6762 4.6762 4.7361 4.7361 5.0232 5.0232 5.2008 5.2008 5.4569 5.4569 5.7954 5.7954 6.2175 6.2175 6.4213 6.4213 6.4806 6.4806 6.8375 6.8375 6.9256 6.9256 9.3915 9.3915 9.8225 9.8225 10.2777 10.2777 11.7162 11.7162 12.8888 12.8888 13.7214 13.7214 14.0711 14.0711 k =-0.2416 0.3921 0.6735 ( 3258 PWs) bands (ev): -24.4103 -24.4103 -7.2767 -7.2767 -6.1816 -6.1816 -6.1191 -6.1191 0.6725 0.6725 1.6711 1.6711 4.6939 4.6939 4.7575 4.7575 5.0150 5.0150 5.1991 5.1991 5.4485 5.4485 5.7919 5.7919 6.1920 6.1920 6.4145 6.4145 6.4746 6.4746 6.8235 6.8235 6.9199 6.9199 9.4755 9.4755 9.8475 9.8475 10.3041 10.3041 11.8403 11.8403 12.8384 12.8384 13.7150 13.7150 14.0409 14.0409 k =-0.2486 0.4034 0.6602 ( 3255 PWs) bands (ev): -24.4104 -24.4104 -7.2764 -7.2764 -6.1821 -6.1821 -6.1177 -6.1177 0.6704 0.6704 1.6567 1.6567 4.7099 4.7099 4.7780 4.7780 5.0072 5.0072 5.1975 5.1975 5.4398 5.4398 5.7890 5.7890 6.1684 6.1684 6.4088 6.4088 6.4703 6.4703 6.8073 6.8073 6.9173 6.9173 9.5597 9.5597 9.8696 9.8696 10.3194 10.3194 11.9672 11.9672 12.7948 12.7948 13.6879 13.6879 14.0143 14.0143 k =-0.2556 0.4147 0.6469 ( 3251 PWs) bands (ev): -24.4105 -24.4105 -7.2762 -7.2762 -6.1826 -6.1826 -6.1165 -6.1165 0.6685 0.6685 1.6441 1.6441 4.7242 4.7242 4.7974 4.7974 4.9999 4.9999 5.1960 5.1960 5.4310 5.4310 5.7869 5.7869 6.1471 6.1471 6.4042 6.4042 6.4673 6.4673 6.7904 6.7904 6.9165 6.9165 9.6433 9.6433 9.8890 9.8890 10.3232 10.3232 12.0960 12.0960 12.7587 12.7587 13.6386 13.6386 13.9893 13.9893 k =-0.2626 0.4261 0.6336 ( 3251 PWs) bands (ev): -24.4105 -24.4105 -7.2760 -7.2760 -6.1830 -6.1830 -6.1154 -6.1154 0.6669 0.6669 1.6334 1.6334 4.7367 4.7367 4.8151 4.8151 4.9933 4.9933 5.1945 5.1945 5.4226 5.4226 5.7855 5.7855 6.1286 6.1286 6.4004 6.4004 6.4656 6.4656 6.7742 6.7742 6.9165 6.9165 9.7252 9.7252 9.9059 9.9059 10.3153 10.3153 12.2250 12.2250 12.7313 12.7313 13.5673 13.5673 13.9655 13.9655 k =-0.2695 0.4374 0.6203 ( 3253 PWs) bands (ev): -24.4106 -24.4106 -7.2758 -7.2758 -6.1834 -6.1834 -6.1145 -6.1145 0.6656 0.6656 1.6246 1.6246 4.7472 4.7472 4.8307 4.8307 4.9876 4.9876 5.1930 5.1930 5.4150 5.4150 5.7847 5.7847 6.1130 6.1130 6.3973 6.3973 6.4650 6.4650 6.7596 6.7596 6.9169 6.9169 9.8035 9.8035 9.9215 9.9215 10.2960 10.2960 12.3509 12.3509 12.7149 12.7149 13.4766 13.4766 13.9446 13.9446 k =-0.2765 0.4487 0.6069 ( 3257 PWs) bands (ev): -24.4106 -24.4106 -7.2757 -7.2757 -6.1836 -6.1836 -6.1138 -6.1138 0.6645 0.6645 1.6177 1.6177 4.7557 4.7557 4.8436 4.8436 4.9829 4.9829 5.1916 5.1916 5.4084 5.4084 5.7843 5.7843 6.1006 6.1006 6.3950 6.3950 6.4650 6.4650 6.7473 6.7473 6.9174 6.9174 9.8726 9.8726 9.9403 9.9403 10.2661 10.2661 12.4648 12.4648 12.7166 12.7166 13.3710 13.3710 13.9279 13.9279 k =-0.2835 0.4600 0.5936 ( 3259 PWs) bands (ev): -24.4106 -24.4106 -7.2756 -7.2756 -6.1838 -6.1838 -6.1133 -6.1133 0.6637 0.6637 1.6128 1.6128 4.7619 4.7619 4.8533 4.8533 4.9795 4.9795 5.1904 5.1904 5.4035 5.4035 5.7842 5.7842 6.0916 6.0916 6.3933 6.3933 6.4655 6.4655 6.7380 6.7380 6.9178 6.9178 9.9129 9.9129 9.9801 9.9801 10.2274 10.2274 12.5454 12.5454 12.7550 12.7550 13.2570 13.2570 13.9160 13.9160 k =-0.2905 0.4714 0.5803 ( 3255 PWs) bands (ev): -24.4107 -24.4107 -7.2755 -7.2755 -6.1840 -6.1840 -6.1130 -6.1130 0.6633 0.6633 1.6098 1.6098 4.7657 4.7657 4.8593 4.8593 4.9774 4.9774 5.1897 5.1897 5.4003 5.4003 5.7842 5.7842 6.0861 6.0861 6.3923 6.3923 6.4660 6.4660 6.7320 6.7320 6.9181 6.9181 9.9253 9.9253 10.0356 10.0356 10.1842 10.1842 12.5790 12.5790 12.8352 12.8352 13.1452 13.1452 13.9089 13.9089 k =-0.2975 0.4827 0.5670 ( 3259 PWs) bands (ev): -24.4107 -24.4107 -7.2755 -7.2755 -6.1840 -6.1840 -6.1129 -6.1129 0.6631 0.6631 1.6088 1.6088 4.7669 4.7669 4.8614 4.8614 4.9768 4.9768 5.1895 5.1895 5.3992 5.3992 5.7842 5.7842 6.0842 6.0842 6.3920 6.3920 6.4663 6.4663 6.7299 6.7299 6.9182 6.9182 9.9283 9.9283 10.0669 10.0669 10.1581 10.1581 12.5865 12.5865 12.8933 12.8933 13.0802 13.0802 13.9066 13.9066 k =-0.2975 0.4827 0.5670 ( 3259 PWs) bands (ev): -24.4107 -24.4107 -7.2755 -7.2755 -6.1840 -6.1840 -6.1129 -6.1129 0.6631 0.6631 1.6088 1.6088 4.7669 4.7669 4.8614 4.8614 4.9768 4.9768 5.1895 5.1895 5.3992 5.3992 5.7842 5.7842 6.0842 6.0842 6.3920 6.3920 6.4663 6.4663 6.7299 6.7299 6.9182 6.9182 9.9283 9.9283 10.0669 10.0669 10.1581 10.1581 12.5865 12.5865 12.8933 12.8933 13.0802 13.0802 13.9066 13.9066 k =-0.2904 0.4712 0.5535 ( 3247 PWs) bands (ev): -24.4106 -24.4106 -7.2760 -7.2760 -6.1854 -6.1854 -6.1123 -6.1123 0.6541 0.6541 1.6553 1.6553 4.7773 4.7773 4.8817 4.8817 4.9730 4.9730 5.1592 5.1592 5.3929 5.3929 5.8036 5.8036 6.0572 6.0572 6.3923 6.3923 6.4607 6.4607 6.7007 6.7007 6.9171 6.9171 9.8360 9.8360 10.0361 10.0361 10.1685 10.1685 12.6071 12.6071 12.8409 12.8409 13.0792 13.0792 13.9656 13.9656 k =-0.2833 0.4597 0.5400 ( 3251 PWs) bands (ev): -24.4106 -24.4106 -7.2763 -7.2763 -6.1865 -6.1865 -6.1118 -6.1118 0.6424 0.6424 1.7014 1.7014 4.7861 4.7861 4.8999 4.8999 4.9609 4.9609 5.1324 5.1324 5.3953 5.3953 5.8229 5.8229 6.0330 6.0330 6.3928 6.3928 6.4595 6.4595 6.6726 6.6726 6.9193 6.9193 9.7439 9.7439 9.9941 9.9941 10.1932 10.1932 12.5808 12.5808 12.8322 12.8322 13.0810 13.0810 14.0276 14.0276 k =-0.2762 0.4482 0.5265 ( 3253 PWs) bands (ev): -24.4105 -24.4105 -7.2766 -7.2766 -6.1874 -6.1874 -6.1113 -6.1113 0.6280 0.6280 1.7468 1.7468 4.7927 4.7927 4.9152 4.9152 4.9382 4.9382 5.1170 5.1170 5.4025 5.4025 5.8403 5.8403 6.0133 6.0133 6.3931 6.3931 6.4635 6.4635 6.6459 6.6459 6.9244 6.9244 9.6524 9.6524 9.9513 9.9513 10.2219 10.2219 12.5137 12.5137 12.8615 12.8615 13.0856 13.0856 14.0921 14.0921 k =-0.2691 0.4367 0.5130 ( 3249 PWs) bands (ev): -24.4105 -24.4105 -7.2768 -7.2768 -6.1881 -6.1881 -6.1109 -6.1109 0.6109 0.6109 1.7913 1.7913 4.7961 4.7961 4.9062 4.9062 4.9279 4.9279 5.1141 5.1141 5.4121 5.4121 5.8538 5.8538 6.0005 6.0005 6.3942 6.3942 6.4721 6.4721 6.6208 6.6208 6.9320 6.9320 9.5617 9.5617 9.9105 9.9105 10.2520 10.2520 12.4285 12.4285 12.9055 12.9055 13.0932 13.0932 14.1585 14.1585 k =-0.2621 0.4252 0.4995 ( 3257 PWs) bands (ev): -24.4105 -24.4105 -7.2769 -7.2769 -6.1886 -6.1886 -6.1105 -6.1105 0.5912 0.5912 1.8347 1.8347 4.7942 4.7942 4.8726 4.8726 4.9373 4.9373 5.1200 5.1200 5.4228 5.4228 5.8612 5.8612 5.9971 5.9971 6.3971 6.3971 6.4841 6.4841 6.5980 6.5980 6.9420 6.9420 9.4718 9.4718 9.8726 9.8726 10.2830 10.2830 12.3358 12.3358 12.9526 12.9526 13.1044 13.1044 14.2262 14.2262 k =-0.2550 0.4138 0.4860 ( 3265 PWs) bands (ev): -24.4105 -24.4105 -7.2769 -7.2769 -6.1888 -6.1888 -6.1101 -6.1101 0.5687 0.5687 1.8768 1.8768 4.7823 4.7823 4.8450 4.8450 4.9448 4.9448 5.1306 5.1306 5.4342 5.4342 5.8620 5.8620 6.0039 6.0039 6.4030 6.4030 6.4974 6.4974 6.5791 6.5791 6.9540 6.9540 9.3828 9.3828 9.8381 9.8381 10.3147 10.3147 12.2394 12.2394 12.9978 12.9978 13.1203 13.1203 14.2945 14.2945 k =-0.2479 0.4023 0.4725 ( 3269 PWs) bands (ev): -24.4105 -24.4105 -7.2768 -7.2768 -6.1887 -6.1887 -6.1098 -6.1098 0.5436 0.5436 1.9173 1.9173 4.7570 4.7570 4.8288 4.8288 4.9513 4.9513 5.1422 5.1422 5.4461 5.4461 5.8585 5.8585 6.0191 6.0191 6.4123 6.4123 6.5082 6.5082 6.5679 6.5679 6.9679 6.9679 9.2950 9.2950 9.8073 9.8073 10.3471 10.3471 12.1409 12.1409 13.0374 13.0374 13.1420 13.1420 14.3628 14.3628 k =-0.2408 0.3908 0.4590 ( 3275 PWs) bands (ev): -24.4105 -24.4105 -7.2767 -7.2767 -6.1884 -6.1884 -6.1096 -6.1096 0.5160 0.5160 1.9559 1.9559 4.7249 4.7249 4.8189 4.8189 4.9574 4.9574 5.1525 5.1525 5.4590 5.4590 5.8537 5.8537 6.0403 6.0403 6.4246 6.4246 6.5103 6.5103 6.5711 6.5711 6.9833 6.9833 9.2082 9.2082 9.7803 9.7803 10.3802 10.3802 12.0412 12.0412 13.0696 13.0696 13.1700 13.1700 14.4303 14.4303 k =-0.2337 0.3793 0.4455 ( 3271 PWs) bands (ev): -24.4105 -24.4105 -7.2764 -7.2764 -6.1878 -6.1878 -6.1094 -6.1094 0.4860 0.4860 1.9926 1.9926 4.6917 4.6917 4.8099 4.8099 4.9634 4.9634 5.1594 5.1594 5.4733 5.4733 5.8497 5.8497 6.0658 6.0658 6.4375 6.4375 6.5074 6.5074 6.5877 6.5877 7.0002 7.0002 9.1226 9.1226 9.7573 9.7573 10.4141 10.4141 11.9406 11.9406 13.0956 13.0956 13.2014 13.2014 14.4961 14.4961 k =-0.2266 0.3678 0.4320 ( 3271 PWs) bands (ev): -24.4106 -24.4106 -7.2760 -7.2760 -6.1869 -6.1869 -6.1093 -6.1093 0.4538 0.4538 2.0271 2.0271 4.6599 4.6599 4.8001 4.8001 4.9696 4.9696 5.1618 5.1618 5.4891 5.4891 5.8481 5.8481 6.0944 6.0944 6.4457 6.4457 6.5116 6.5116 6.6108 6.6108 7.0183 7.0183 9.0383 9.0383 9.7385 9.7385 10.4488 10.4488 11.8395 11.8395 13.1179 13.1179 13.2323 13.2323 14.5594 14.5594 k =-0.2196 0.3563 0.4185 ( 3259 PWs) bands (ev): -24.4106 -24.4106 -7.2755 -7.2755 -6.1859 -6.1859 -6.1092 -6.1092 0.4195 0.4195 2.0592 2.0592 4.6302 4.6302 4.7891 4.7891 4.9760 4.9760 5.1594 5.1594 5.5061 5.5061 5.8499 5.8499 6.1255 6.1255 6.4451 6.4451 6.5300 6.5300 6.6375 6.6375 7.0374 7.0374 8.9553 8.9553 9.7241 9.7241 10.4845 10.4845 11.7382 11.7382 13.1387 13.1387 13.2592 13.2592 14.6189 14.6189 k =-0.2125 0.3448 0.4050 ( 3255 PWs) bands (ev): -24.4107 -24.4107 -7.2749 -7.2749 -6.1845 -6.1845 -6.1092 -6.1092 0.3834 0.3834 2.0888 2.0888 4.6028 4.6028 4.7767 4.7767 4.9825 4.9825 5.1523 5.1523 5.5236 5.5236 5.8560 5.8560 6.1585 6.1585 6.4399 6.4399 6.5595 6.5595 6.6667 6.6667 7.0575 7.0575 8.8738 8.8738 9.7140 9.7140 10.5211 10.5211 11.6368 11.6368 13.1589 13.1589 13.2796 13.2796 14.6737 14.6737 k =-0.2054 0.3333 0.3915 ( 3257 PWs) bands (ev): -24.4107 -24.4107 -7.2742 -7.2742 -6.1829 -6.1829 -6.1092 -6.1092 0.3456 0.3456 2.1159 2.1159 4.5777 4.5777 4.7632 4.7632 4.9889 4.9889 5.1412 5.1412 5.5407 5.5407 5.8670 5.8670 6.1928 6.1928 6.4345 6.4345 6.5963 6.5963 6.6979 6.6979 7.0783 7.0783 8.7936 8.7936 9.7085 9.7085 10.5586 10.5586 11.5356 11.5356 13.1790 13.1790 13.2917 13.2917 14.7224 14.7224 k =-0.1983 0.3218 0.3780 ( 3257 PWs) bands (ev): -24.4108 -24.4108 -7.2735 -7.2735 -6.1811 -6.1811 -6.1093 -6.1093 0.3064 0.3064 2.1402 2.1402 4.5547 4.5547 4.7488 4.7488 4.9951 4.9951 5.1272 5.1272 5.5563 5.5563 5.8831 5.8831 6.2277 6.2277 6.4308 6.4308 6.6390 6.6390 6.7311 6.7311 7.0997 7.0997 8.7151 8.7151 9.7077 9.7077 10.5972 10.5972 11.4346 11.4346 13.1988 13.1988 13.2945 13.2945 14.7643 14.7643 k =-0.1912 0.3103 0.3645 ( 3259 PWs) bands (ev): -24.4109 -24.4109 -7.2727 -7.2727 -6.1791 -6.1791 -6.1094 -6.1094 0.2661 0.2661 2.1619 2.1619 4.5335 4.5335 4.7337 4.7337 5.0006 5.0006 5.1114 5.1114 5.5701 5.5701 5.9041 5.9041 6.2625 6.2625 6.4298 6.4298 6.6867 6.6867 6.7664 6.7664 7.1214 7.1214 8.6383 8.6383 9.7117 9.7117 10.6367 10.6367 11.3342 11.3342 13.2179 13.2179 13.2876 13.2876 14.7990 14.7990 k =-0.1841 0.2988 0.3510 ( 3257 PWs) bands (ev): -24.4110 -24.4110 -7.2718 -7.2718 -6.1768 -6.1768 -6.1096 -6.1096 0.2248 0.2248 2.1809 2.1809 4.5138 4.5138 4.7182 4.7182 5.0049 5.0049 5.0952 5.0952 5.5820 5.5820 5.9294 5.9294 6.2964 6.2964 6.4322 6.4322 6.7384 6.7384 6.8046 6.8046 7.1433 7.1433 8.5632 8.5632 9.7205 9.7205 10.6770 10.6770 11.2345 11.2345 13.2343 13.2343 13.2726 13.2726 14.8265 14.8265 k =-0.1771 0.2873 0.3375 ( 3261 PWs) bands (ev): -24.4111 -24.4111 -7.2708 -7.2708 -6.1744 -6.1744 -6.1098 -6.1098 0.1829 0.1829 2.1972 2.1972 4.4953 4.4953 4.7026 4.7026 5.0065 5.0065 5.0804 5.0804 5.5923 5.5923 5.9578 5.9578 6.3290 6.3290 6.4385 6.4385 6.7917 6.7917 6.8479 6.8479 7.1653 7.1653 8.4902 8.4902 9.7344 9.7344 10.7177 10.7177 11.1360 11.1360 13.2322 13.2322 13.2651 13.2651 14.8470 14.8470 k =-0.1700 0.2758 0.3240 ( 3261 PWs) bands (ev): -24.4112 -24.4112 -7.2698 -7.2698 -6.1718 -6.1718 -6.1100 -6.1100 0.1406 0.1406 2.2109 2.2109 4.4776 4.4776 4.6872 4.6872 5.0033 5.0033 5.0699 5.0699 5.6016 5.6016 5.9880 5.9880 6.3596 6.3596 6.4490 6.4490 6.8420 6.8420 6.9005 6.9005 7.1872 7.1872 8.4194 8.4194 9.7534 9.7534 10.7580 10.7580 11.0397 11.0397 13.2002 13.2002 13.2769 13.2769 14.8604 14.8604 k =-0.1629 0.2643 0.3105 ( 3259 PWs) bands (ev): -24.4113 -24.4113 -7.2687 -7.2687 -6.1690 -6.1690 -6.1103 -6.1103 0.0981 0.0981 2.2222 2.2222 4.4603 4.4603 4.6723 4.6723 4.9937 4.9937 5.0655 5.0655 5.6105 5.6105 6.0190 6.0190 6.3882 6.3882 6.4639 6.4639 6.8869 6.8869 6.9644 6.9644 7.2089 7.2089 8.3511 8.3511 9.7776 9.7776 10.7932 10.7932 10.9503 10.9503 13.1570 13.1570 13.2894 13.2894 14.8661 14.8661 k =-0.1558 0.2529 0.2970 ( 3257 PWs) bands (ev): -24.4114 -24.4114 -7.2676 -7.2676 -6.1661 -6.1661 -6.1106 -6.1106 0.0556 0.0556 2.2311 2.2311 4.4431 4.4431 4.6582 4.6582 4.9789 4.9789 5.0663 5.0663 5.6193 5.6193 6.0496 6.0496 6.4150 6.4150 6.4829 6.4829 6.9282 6.9282 7.0370 7.0370 7.2304 7.2304 8.2857 8.2857 9.8071 9.8071 10.7929 10.7929 10.8983 10.8983 13.1066 13.1066 13.2986 13.2986 14.8633 14.8633 k =-0.1487 0.2414 0.2835 ( 3255 PWs) bands (ev): -24.4116 -24.4116 -7.2664 -7.2664 -6.1631 -6.1631 -6.1109 -6.1109 0.0135 0.0135 2.2378 2.2378 4.4255 4.4255 4.6453 4.6453 4.9613 4.9613 5.0701 5.0701 5.6285 5.6285 6.0792 6.0792 6.4407 6.4407 6.5052 6.5052 6.9679 6.9679 7.1147 7.1147 7.2524 7.2524 8.2238 8.2238 9.8419 9.8419 10.7221 10.7221 10.9188 10.9188 13.0508 13.0508 13.3028 13.3028 14.8504 14.8504 k =-0.1417 0.2299 0.2700 ( 3255 PWs) bands (ev): -24.4117 -24.4117 -7.2653 -7.2653 -6.1599 -6.1599 -6.1113 -6.1113 -0.0281 -0.0281 2.2424 2.2424 4.4075 4.4075 4.6337 4.6337 4.9426 4.9426 5.0753 5.0753 5.6384 5.6384 6.1072 6.1072 6.4658 6.4658 6.5300 6.5300 7.0070 7.0070 7.1922 7.1922 7.2780 7.2780 8.1663 8.1663 9.8821 9.8821 10.6324 10.6324 10.9600 10.9600 12.9910 12.9910 13.3001 13.3001 14.8263 14.8263 k =-0.1346 0.2184 0.2565 ( 3253 PWs) bands (ev): -24.4118 -24.4118 -7.2641 -7.2641 -6.1568 -6.1568 -6.1116 -6.1116 -0.0690 -0.0690 2.2452 2.2452 4.3889 4.3889 4.6236 4.6236 4.9237 4.9237 5.0812 5.0812 5.6490 5.6490 6.1336 6.1336 6.4904 6.4904 6.5566 6.5566 7.0457 7.0457 7.2525 7.2525 7.3221 7.3221 8.1145 8.1145 9.9276 9.9276 10.5404 10.5404 11.0057 11.0057 12.9282 12.9282 13.2884 13.2884 14.7899 14.7899 k =-0.1275 0.2069 0.2430 ( 3245 PWs) bands (ev): -24.4120 -24.4120 -7.2629 -7.2629 -6.1535 -6.1535 -6.1119 -6.1119 -0.1090 -0.1090 2.2464 2.2464 4.3696 4.3696 4.6151 4.6151 4.9050 4.9050 5.0874 5.0874 5.6606 5.6606 6.1583 6.1583 6.5142 6.5142 6.5848 6.5848 7.0841 7.0841 7.2822 7.2822 7.3957 7.3957 8.0705 8.0705 9.9783 9.9783 10.4488 10.4488 11.0532 11.0532 12.8634 12.8634 13.2656 13.2656 14.7407 14.7407 k =-0.1204 0.1954 0.2295 ( 3253 PWs) bands (ev): -24.4121 -24.4121 -7.2618 -7.2618 -6.1503 -6.1503 -6.1122 -6.1122 -0.1478 -0.1478 2.2461 2.2461 4.3499 4.3499 4.6083 4.6083 4.8866 4.8866 5.0937 5.0937 5.6730 5.6730 6.1816 6.1816 6.5369 6.5369 6.6140 6.6140 7.1219 7.1219 7.2994 7.2994 7.4765 7.4765 8.0383 8.0383 10.0337 10.0337 10.3587 10.3587 11.1016 11.1016 12.7972 12.7972 13.2296 13.2296 14.6789 14.6789 k =-0.1133 0.1839 0.2160 ( 3255 PWs) bands (ev): -24.4122 -24.4122 -7.2606 -7.2606 -6.1471 -6.1471 -6.1125 -6.1125 -0.1854 -0.1854 2.2446 2.2446 4.3297 4.3297 4.6030 4.6030 4.8688 4.8688 5.0999 5.0999 5.6863 5.6863 6.2039 6.2039 6.5581 6.5581 6.6438 6.6438 7.1592 7.1592 7.3114 7.3114 7.5506 7.5506 8.0241 8.0241 10.0925 10.0925 10.2720 10.2720 11.1505 11.1505 12.7303 12.7303 13.1790 13.1790 14.6051 14.6051 k =-0.1062 0.1724 0.2025 ( 3245 PWs) bands (ev): -24.4123 -24.4123 -7.2595 -7.2595 -6.1440 -6.1440 -6.1127 -6.1127 -0.2215 -0.2215 2.2420 2.2420 4.3094 4.3094 4.5991 4.5991 4.8516 4.8516 5.1059 5.1059 5.7003 5.7003 6.2254 6.2254 6.5778 6.5778 6.6733 6.6733 7.1955 7.1955 7.3194 7.3194 7.6084 7.6084 8.0363 8.0363 10.1378 10.1378 10.2057 10.2057 11.1995 11.1995 12.6629 12.6629 13.1129 13.1129 14.5207 14.5207 k =-0.0992 0.1609 0.1890 ( 3245 PWs) bands (ev): -24.4125 -24.4125 -7.2584 -7.2584 -6.1410 -6.1410 -6.1129 -6.1129 -0.2559 -0.2559 2.2386 2.2386 4.2892 4.2892 4.5965 4.5965 4.8349 4.8349 5.1117 5.1117 5.7148 5.7148 6.2465 6.2465 6.5960 6.5960 6.7018 6.7018 7.2304 7.2304 7.3232 7.3232 7.6444 7.6444 8.0809 8.0809 10.0845 10.0845 10.2450 10.2450 11.2484 11.2484 12.5953 12.5953 13.0317 13.0317 14.4272 14.4272 k =-0.0921 0.1494 0.1755 ( 3241 PWs) bands (ev): -24.4126 -24.4126 -7.2573 -7.2573 -6.1381 -6.1381 -6.1130 -6.1130 -0.2886 -0.2886 2.2346 2.2346 4.2693 4.2693 4.5951 4.5951 4.8189 4.8189 5.1173 5.1173 5.7298 5.7298 6.2674 6.2674 6.6127 6.6127 6.7284 6.7284 7.2631 7.2631 7.3227 7.3227 7.6624 7.6624 8.1541 8.1541 10.0049 10.0049 10.3178 10.3178 11.2967 11.2967 12.5274 12.5274 12.9371 12.9371 14.3269 14.3269 k =-0.0850 0.1379 0.1620 ( 3243 PWs) bands (ev): -24.4127 -24.4127 -7.2563 -7.2563 -6.1354 -6.1354 -6.1130 -6.1130 -0.3194 -0.3194 2.2301 2.2301 4.2500 4.2500 4.5948 4.5948 4.8035 4.8035 5.1227 5.1227 5.7450 5.7450 6.2884 6.2884 6.6281 6.6281 6.7524 6.7524 7.2918 7.2918 7.3188 7.3188 7.6723 7.6723 8.2466 8.2466 9.9258 9.9258 10.3975 10.3975 11.3441 11.3441 12.4589 12.4589 12.8316 12.8316 14.2220 14.2220 k =-0.0779 0.1264 0.1485 ( 3247 PWs) bands (ev): -24.4128 -24.4128 -7.2553 -7.2553 -6.1330 -6.1330 -6.1128 -6.1128 -0.3482 -0.3482 2.2253 2.2253 4.2315 4.2315 4.5954 4.5954 4.7888 4.7888 5.1277 5.1277 5.7601 5.7601 6.3095 6.3095 6.6422 6.6422 6.7729 6.7729 7.3010 7.3010 7.3268 7.3268 7.6819 7.6819 8.3500 8.3500 9.8497 9.8497 10.4819 10.4819 11.3902 11.3902 12.3892 12.3892 12.7185 12.7185 14.1146 14.1146 k =-0.0708 0.1149 0.1350 ( 3251 PWs) bands (ev): -24.4129 -24.4129 -7.2544 -7.2544 -6.1308 -6.1308 -6.1125 -6.1125 -0.3749 -0.3749 2.2204 2.2204 4.2139 4.2139 4.5969 4.5969 4.7746 4.7746 5.1325 5.1325 5.7749 5.7749 6.3309 6.3309 6.6550 6.6550 6.7893 6.7893 7.2893 7.2893 7.3487 7.3487 7.6953 7.6953 8.4585 8.4585 9.7777 9.7777 10.5702 10.5702 11.4343 11.4343 12.3170 12.3170 12.6016 12.6016 14.0070 14.0070 k =-0.0637 0.1034 0.1215 ( 3247 PWs) bands (ev): -24.4130 -24.4130 -7.2536 -7.2536 -6.1290 -6.1290 -6.1120 -6.1120 -0.3993 -0.3993 2.2155 2.2155 4.1976 4.1976 4.5991 4.5991 4.7611 4.7611 5.1368 5.1368 5.7893 5.7893 6.3526 6.3526 6.6665 6.6665 6.8012 6.8012 7.2737 7.2737 7.3687 7.3687 7.7137 7.7137 8.5683 8.5683 9.7110 9.7110 10.6619 10.6619 11.4760 11.4760 12.2408 12.2408 12.4852 12.4852 13.9014 13.9014 k =-0.0567 0.0919 0.1080 ( 3247 PWs) bands (ev): -24.4131 -24.4131 -7.2529 -7.2529 -6.1275 -6.1275 -6.1114 -6.1114 -0.4214 -0.4214 2.2108 2.2108 4.1826 4.1826 4.6020 4.6020 4.7481 4.7481 5.1409 5.1409 5.8028 5.8028 6.3747 6.3747 6.6769 6.6769 6.8081 6.8081 7.2573 7.2573 7.3854 7.3854 7.7366 7.7366 8.6758 8.6758 9.6509 9.6509 10.7563 10.7563 11.5144 11.5144 12.1586 12.1586 12.3740 12.3740 13.7998 13.7998 k =-0.0496 0.0805 0.0945 ( 3247 PWs) bands (ev): -24.4132 -24.4132 -7.2522 -7.2522 -6.1264 -6.1264 -6.1106 -6.1106 -0.4410 -0.4410 2.2063 2.2063 4.1690 4.1690 4.6056 4.6056 4.7359 4.7359 5.1445 5.1445 5.8154 5.8154 6.3969 6.3969 6.6860 6.6860 6.8098 6.8098 7.2419 7.2419 7.3990 7.3990 7.7627 7.7627 8.7774 8.7774 9.5995 9.5995 10.8529 10.8529 11.5485 11.5485 12.0695 12.0695 12.2717 12.2717 13.7042 13.7042 k =-0.0425 0.0690 0.0810 ( 3255 PWs) bands (ev): -24.4133 -24.4133 -7.2516 -7.2516 -6.1256 -6.1256 -6.1098 -6.1098 -0.4582 -0.4582 2.2023 2.2023 4.1570 4.1570 4.6096 4.6096 4.7243 4.7243 5.1477 5.1477 5.8267 5.8267 6.4191 6.4191 6.6940 6.6940 6.8067 6.8067 7.2284 7.2284 7.4098 7.4098 7.7904 7.7904 8.8689 8.8689 9.5594 9.5594 10.9507 10.9507 11.5769 11.5769 11.9762 11.9762 12.1793 12.1793 13.6165 13.6165 k =-0.0354 0.0575 0.0675 ( 3255 PWs) bands (ev): -24.4133 -24.4133 -7.2511 -7.2511 -6.1250 -6.1250 -6.1089 -6.1089 -0.4729 -0.4729 2.1987 2.1987 4.1467 4.1467 4.6141 4.6141 4.7135 4.7135 5.1505 5.1505 5.8367 5.8367 6.4408 6.4408 6.7007 6.7007 6.7995 6.7995 7.2174 7.2174 7.4183 7.4183 7.8178 7.8178 8.9454 8.9454 9.5335 9.5335 11.0489 11.0489 11.5968 11.5968 11.8855 11.8855 12.0948 12.0948 13.5387 13.5387 k =-0.0283 0.0460 0.0540 ( 3257 PWs) bands (ev): -24.4134 -24.4134 -7.2506 -7.2506 -6.1246 -6.1246 -6.1081 -6.1081 -0.4849 -0.4849 2.1956 2.1956 4.1382 4.1382 4.6189 4.6189 4.7036 4.7036 5.1527 5.1527 5.8451 5.8451 6.4615 6.4615 6.7063 6.7063 6.7893 6.7893 7.2090 7.2090 7.4247 7.4247 7.8433 7.8433 9.0027 9.0027 9.5238 9.5238 11.1461 11.1461 11.6032 11.6032 11.8078 11.8078 12.0163 12.0163 13.4725 13.4725 k =-0.0212 0.0345 0.0405 ( 3259 PWs) bands (ev): -24.4134 -24.4134 -7.2503 -7.2503 -6.1243 -6.1243 -6.1074 -6.1074 -0.4944 -0.4944 2.1932 2.1932 4.1315 4.1315 4.6237 4.6237 4.6949 4.6949 5.1546 5.1546 5.8517 5.8517 6.4801 6.4801 6.7106 6.7106 6.7778 6.7778 7.2031 7.2031 7.4295 7.4295 7.8651 7.8651 9.0394 9.0394 9.5290 9.5290 11.2400 11.2400 11.5893 11.5893 11.7538 11.7538 11.9443 11.9443 13.4194 13.4194 k =-0.0142 0.0230 0.0270 ( 3253 PWs) bands (ev): -24.4134 -24.4134 -7.2501 -7.2501 -6.1241 -6.1241 -6.1069 -6.1069 -0.5011 -0.5011 2.1914 2.1914 4.1267 4.1267 4.6280 4.6280 4.6876 4.6876 5.1559 5.1559 5.8566 5.8566 6.4953 6.4953 6.7136 6.7136 6.7671 6.7671 7.1992 7.1992 7.4328 7.4328 7.8820 7.8820 9.0589 9.0589 9.5426 9.5426 11.3271 11.3271 11.5588 11.5588 11.7213 11.7213 11.8842 11.8842 13.3805 13.3805 k =-0.0071 0.0115 0.0135 ( 3273 PWs) bands (ev): -24.4135 -24.4135 -7.2499 -7.2499 -6.1240 -6.1240 -6.1066 -6.1066 -0.5052 -0.5052 2.1903 2.1903 4.1238 4.1238 4.6313 4.6313 4.6827 4.6827 5.1567 5.1567 5.8595 5.8595 6.5054 6.5054 6.7155 6.7155 6.7593 6.7593 7.1970 7.1970 7.4347 7.4347 7.8926 7.8926 9.0674 9.0674 9.5556 9.5556 11.3988 11.3988 11.5280 11.5280 11.6958 11.6958 11.8456 11.8456 13.3568 13.3568 k = 0.0000 0.0000 0.0000 ( 3269 PWs) bands (ev): -24.4135 -24.4135 -7.2499 -7.2499 -6.1240 -6.1240 -6.1064 -6.1064 -0.5065 -0.5065 2.1899 2.1899 4.1228 4.1228 4.6325 4.6325 4.6809 4.6809 5.1569 5.1569 5.8605 5.8605 6.5090 6.5090 6.7161 6.7161 6.7565 6.7565 7.1963 7.1963 7.4354 7.4354 7.8962 7.8962 9.0696 9.0696 9.5608 9.5608 11.4322 11.4322 11.5125 11.5125 11.6824 11.6824 11.8331 11.8331 13.3489 13.3489 k = 0.0000 0.0000 0.0000 ( 3269 PWs) bands (ev): -24.4135 -24.4135 -7.2499 -7.2499 -6.1240 -6.1240 -6.1064 -6.1064 -0.5065 -0.5065 2.1899 2.1899 4.1228 4.1228 4.6325 4.6325 4.6809 4.6809 5.1569 5.1569 5.8605 5.8605 6.5090 6.5090 6.7161 6.7161 6.7565 6.7565 7.1963 7.1963 7.4354 7.4354 7.8962 7.8962 9.0696 9.0696 9.5608 9.5608 11.4322 11.4322 11.5125 11.5125 11.6824 11.6824 11.8331 11.8331 13.3489 13.3489 k = 0.0161 0.0099 0.0000 ( 3273 PWs) bands (ev): -24.4135 -24.4135 -7.2499 -7.2499 -6.1241 -6.1241 -6.1064 -6.1064 -0.5051 -0.5051 2.1869 2.1869 4.1241 4.1241 4.6324 4.6324 4.6809 4.6809 5.1567 5.1567 5.8593 5.8593 6.5088 6.5088 6.7154 6.7154 6.7529 6.7529 7.1962 7.1962 7.4418 7.4418 7.8975 7.8975 9.0688 9.0688 9.5588 9.5588 11.3935 11.3935 11.5542 11.5542 11.6874 11.6874 11.8382 11.8382 13.3476 13.3476 k = 0.0323 0.0199 0.0000 ( 3273 PWs) bands (ev): -24.4135 -24.4135 -7.2500 -7.2500 -6.1243 -6.1243 -6.1064 -6.1064 -0.5009 -0.5009 2.1777 2.1777 4.1280 4.1280 4.6323 4.6323 4.6811 4.6811 5.1562 5.1562 5.8557 5.8557 6.5081 6.5081 6.7134 6.7134 6.7426 6.7426 7.1958 7.1958 7.4605 7.4605 7.9016 7.9016 9.0664 9.0664 9.5528 9.5528 11.3340 11.3340 11.6226 11.6226 11.7023 11.7023 11.8541 11.8541 13.3437 13.3437 k = 0.0484 0.0298 0.0000 ( 3269 PWs) bands (ev): -24.4135 -24.4135 -7.2501 -7.2501 -6.1246 -6.1246 -6.1064 -6.1064 -0.4939 -0.4939 2.1626 2.1626 4.1344 4.1344 4.6319 4.6319 4.6813 4.6813 5.1553 5.1553 5.8496 5.8496 6.5069 6.5069 6.7100 6.7100 6.7268 6.7268 7.1952 7.1952 7.4896 7.4896 7.9090 7.9090 9.0624 9.0624 9.5432 9.5432 11.2750 11.2750 11.6948 11.6948 11.7268 11.7268 11.8819 11.8819 13.3374 13.3374 k = 0.0645 0.0398 0.0000 ( 3269 PWs) bands (ev): -24.4134 -24.4134 -7.2502 -7.2502 -6.1251 -6.1251 -6.1064 -6.1064 -0.4842 -0.4842 2.1419 2.1419 4.1430 4.1430 4.6315 4.6315 4.6816 4.6816 5.1541 5.1541 5.8412 5.8412 6.5052 6.5052 6.7052 6.7052 6.7074 6.7074 7.1944 7.1944 7.5262 7.5262 7.9211 7.9211 9.0571 9.0571 9.5301 9.5301 11.2187 11.2187 11.7593 11.7593 11.7670 11.7670 11.9242 11.9242 13.3289 13.3289 k = 0.0806 0.0497 0.0000 ( 3261 PWs) bands (ev): -24.4134 -24.4134 -7.2504 -7.2504 -6.1256 -6.1256 -6.1063 -6.1063 -0.4716 -0.4716 2.1157 2.1157 4.1535 4.1535 4.6310 4.6310 4.6820 4.6820 5.1526 5.1526 5.8303 5.8303 6.5030 6.5030 6.6856 6.6856 6.6995 6.6995 7.1933 7.1933 7.5671 7.5671 7.9395 7.9395 9.0505 9.0505 9.5142 9.5142 11.1657 11.1657 11.8025 11.8025 11.8326 11.8326 11.9838 11.9838 13.3183 13.3183 k = 0.0968 0.0596 0.0000 ( 3260 PWs) bands (ev): -24.4134 -24.4134 -7.2506 -7.2506 -6.1263 -6.1263 -6.1063 -6.1063 -0.4564 -0.4564 2.0847 2.0847 4.1655 4.1655 4.6304 4.6304 4.6825 4.6825 5.1509 5.1509 5.8170 5.8170 6.5003 6.5003 6.6630 6.6630 6.6925 6.6925 7.1919 7.1919 7.6082 7.6082 7.9670 7.9670 9.0429 9.0429 9.4957 9.4957 11.1162 11.1162 11.8532 11.8532 11.8940 11.8940 12.0604 12.0604 13.3061 13.3061 k = 0.1129 0.0696 0.0000 ( 3260 PWs) bands (ev): -24.4134 -24.4134 -7.2508 -7.2508 -6.1271 -6.1271 -6.1062 -6.1062 -0.4384 -0.4384 2.0490 2.0490 4.1788 4.1788 4.6297 4.6297 4.6829 4.6829 5.1488 5.1488 5.8014 5.8014 6.4972 6.4972 6.6405 6.6405 6.6844 6.6844 7.1904 7.1904 7.6457 7.6457 8.0063 8.0063 9.0344 9.0344 9.4754 9.4754 11.0700 11.0700 11.9115 11.9115 11.9538 11.9538 12.1502 12.1502 13.2924 13.2924 k = 0.1290 0.0795 0.0000 ( 3268 PWs) bands (ev): -24.4134 -24.4134 -7.2511 -7.2511 -6.1280 -6.1280 -6.1062 -6.1062 -0.4178 -0.4178 2.0093 2.0093 4.1929 4.1929 4.6290 4.6290 4.6834 4.6834 5.1466 5.1466 5.7836 5.7836 6.4937 6.4937 6.6190 6.6190 6.6755 6.6755 7.1886 7.1886 7.6766 7.6766 8.0597 8.0597 9.0253 9.0253 9.4536 9.4536 11.0271 11.0271 11.9766 11.9766 12.0154 12.0154 12.2495 12.2495 13.2777 13.2777 k = 0.1452 0.0895 0.0000 ( 3260 PWs) bands (ev): -24.4134 -24.4134 -7.2514 -7.2514 -6.1290 -6.1290 -6.1061 -6.1061 -0.3947 -0.3947 1.9658 1.9658 4.2074 4.2074 4.6283 4.6283 4.6840 4.6840 5.1442 5.1442 5.7637 5.7637 6.4897 6.4897 6.5988 6.5988 6.6657 6.6657 7.1866 7.1866 7.7001 7.7001 8.1275 8.1275 9.0158 9.0158 9.4308 9.4308 10.9873 10.9873 12.0482 12.0482 12.0808 12.0808 12.3562 12.3562 13.2622 13.2622 k = 0.1613 0.0994 0.0000 ( 3252 PWs) bands (ev): -24.4134 -24.4134 -7.2517 -7.2517 -6.1301 -6.1301 -6.1060 -6.1060 -0.3689 -0.3689 1.9192 1.9192 4.2220 4.2220 4.6275 4.6275 4.6845 4.6845 5.1416 5.1416 5.7421 5.7421 6.4854 6.4854 6.5801 6.5801 6.6552 6.6552 7.1845 7.1845 7.7170 7.7170 8.2083 8.2083 9.0061 9.0061 9.4076 9.4076 10.9505 10.9505 12.1254 12.1254 12.1506 12.1507 12.4688 12.4688 13.2463 13.2463 k = 0.1774 0.1093 0.0000 ( 3256 PWs) bands (ev): -24.4134 -24.4134 -7.2520 -7.2520 -6.1312 -6.1312 -6.1059 -6.1059 -0.3408 -0.3408 1.8696 1.8696 4.2364 4.2364 4.6268 4.6268 4.6850 4.6850 5.1390 5.1390 5.7190 5.7190 6.4807 6.4807 6.5632 6.5632 6.6442 6.6442 7.1821 7.1821 7.7287 7.7287 8.3005 8.3005 8.9965 8.9965 9.3844 9.3844 10.9166 10.9166 12.2076 12.2076 12.2255 12.2255 12.5868 12.5868 13.2301 13.2301 k = 0.1935 0.1193 0.0000 ( 3256 PWs) bands (ev): -24.4133 -24.4133 -7.2524 -7.2524 -6.1324 -6.1324 -6.1058 -6.1058 -0.3102 -0.3102 1.8176 1.8176 4.2503 4.2503 4.6260 4.6260 4.6855 4.6855 5.1364 5.1364 5.6946 5.6946 6.4757 6.4757 6.5480 6.5480 6.6327 6.6327 7.1797 7.1797 7.7367 7.7367 8.4023 8.4023 8.9870 8.9870 9.3615 9.3615 10.8854 10.8854 12.2941 12.2941 12.3054 12.3054 12.7097 12.7097 13.2141 13.2141 k = 0.2097 0.1292 0.0000 ( 3268 PWs) bands (ev): -24.4133 -24.4133 -7.2527 -7.2527 -6.1336 -6.1336 -6.1058 -6.1058 -0.2773 -0.2773 1.7634 1.7634 4.2634 4.2634 4.6253 4.6253 4.6859 4.6859 5.1338 5.1338 5.6694 5.6694 6.4704 6.4704 6.5345 6.5345 6.6208 6.6208 7.1771 7.1771 7.7421 7.7421 8.5122 8.5122 8.9779 8.9779 9.3392 9.3392 10.8568 10.8568 12.3835 12.3835 12.3908 12.3908 12.8372 12.8372 13.1986 13.1986 k = 0.2258 0.1392 0.0000 ( 3268 PWs) bands (ev): -24.4133 -24.4133 -7.2531 -7.2531 -6.1349 -6.1349 -6.1057 -6.1057 -0.2421 -0.2421 1.7074 1.7074 4.2756 4.2756 4.6247 4.6247 4.6863 4.6863 5.1312 5.1312 5.6437 5.6437 6.4650 6.4650 6.5225 6.5225 6.6088 6.6088 7.1744 7.1744 7.7457 7.7457 8.6294 8.6294 8.9693 8.9693 9.3180 9.3180 10.8305 10.8305 12.4748 12.4748 12.4822 12.4822 12.9690 12.9690 13.1837 13.1837 k = 0.2419 0.1491 0.0000 ( 3276 PWs) bands (ev): -24.4133 -24.4133 -7.2535 -7.2535 -6.1361 -6.1361 -6.1056 -6.1056 -0.2048 -0.2048 1.6499 1.6499 4.2866 4.2866 4.6240 4.6240 4.6867 4.6867 5.1288 5.1288 5.6178 5.6178 6.4594 6.4594 6.5119 6.5119 6.5966 6.5966 7.1716 7.1716 7.7480 7.7480 8.7527 8.7527 8.9612 8.9612 9.2983 9.2983 10.8065 10.8065 12.5686 12.5686 12.5775 12.5775 13.1050 13.1050 13.1700 13.1700 k = 0.2581 0.1590 0.0000 ( 3268 PWs) bands (ev): -24.4133 -24.4133 -7.2539 -7.2539 -6.1374 -6.1374 -6.1055 -6.1055 -0.1653 -0.1653 1.5912 1.5912 4.2964 4.2964 4.6235 4.6235 4.6870 4.6870 5.1266 5.1266 5.5921 5.5921 6.4538 6.4538 6.5026 6.5026 6.5843 6.5843 7.1688 7.1688 7.7494 7.7494 8.8811 8.8811 8.9538 8.9538 9.2807 9.2807 10.7847 10.7847 12.6657 12.6657 12.6745 12.6745 13.1581 13.1581 13.2450 13.2450 k = 0.2742 0.1690 0.0000 ( 3268 PWs) bands (ev): -24.4132 -24.4132 -7.2543 -7.2543 -6.1387 -6.1387 -6.1054 -6.1054 -0.1240 -0.1240 1.5314 1.5314 4.3049 4.3049 4.6229 4.6229 4.6873 4.6873 5.1246 5.1246 5.5669 5.5669 6.4483 6.4483 6.4943 6.4943 6.5722 6.5722 7.1661 7.1661 7.7502 7.7502 8.9471 8.9471 9.0124 9.0124 9.2672 9.2672 10.7648 10.7648 12.7652 12.7652 12.7719 12.7719 13.1491 13.1491 13.3887 13.3887 k = 0.2903 0.1789 0.0000 ( 3272 PWs) bands (ev): -24.4132 -24.4132 -7.2547 -7.2547 -6.1399 -6.1399 -6.1053 -6.1053 -0.0807 -0.0807 1.4708 1.4708 4.3120 4.3120 4.6225 4.6225 4.6875 4.6875 5.1229 5.1229 5.5424 5.5424 6.4429 6.4429 6.4870 6.4870 6.5602 6.5602 7.1634 7.1634 7.7505 7.7505 8.9411 8.9411 9.1354 9.1354 9.2688 9.2688 10.7468 10.7468 12.8594 12.8594 12.8733 12.8733 13.1453 13.1453 13.5359 13.5359 k = 0.3065 0.1888 0.0000 ( 3280 PWs) bands (ev): -24.4132 -24.4132 -7.2550 -7.2550 -6.1411 -6.1411 -6.1052 -6.1052 -0.0357 -0.0357 1.4096 1.4096 4.3178 4.3178 4.6221 4.6221 4.6877 4.6877 5.1216 5.1216 5.5190 5.5190 6.4377 6.4377 6.4806 6.4806 6.5484 6.5484 7.1607 7.1607 7.7504 7.7504 8.9358 8.9358 9.1934 9.1934 9.3417 9.3417 10.7305 10.7305 12.9386 12.9386 12.9801 12.9801 13.1521 13.1521 13.6864 13.6864 k = 0.3226 0.1988 0.0000 ( 3288 PWs) bands (ev): -24.4132 -24.4132 -7.2554 -7.2554 -6.1423 -6.1423 -6.1051 -6.1051 0.0109 0.0109 1.3480 1.3480 4.3224 4.3224 4.6217 4.6217 4.6878 4.6878 5.1206 5.1206 5.4967 5.4967 6.4329 6.4329 6.4749 6.4749 6.5370 6.5370 7.1582 7.1582 7.7502 7.7502 8.9312 8.9312 9.1939 9.1939 9.4783 9.4783 10.7160 10.7160 12.9915 12.9915 13.0899 13.0899 13.1763 13.1763 13.7668 13.7668 k = 0.3387 0.2087 0.0000 ( 3288 PWs) bands (ev): -24.4132 -24.4132 -7.2557 -7.2557 -6.1434 -6.1434 -6.1050 -6.1050 0.0590 0.0590 1.2861 1.2861 4.3258 4.3258 4.6215 4.6215 4.6879 4.6879 5.1200 5.1200 5.4759 5.4759 6.4284 6.4284 6.4699 6.4699 6.5260 6.5260 7.1558 7.1558 7.7498 7.7498 8.9272 8.9272 9.1853 9.1853 9.6297 9.6297 10.7029 10.7029 13.0135 13.0135 13.2002 13.2002 13.2056 13.2056 13.6223 13.6223 k = 0.3548 0.2187 0.0000 ( 3288 PWs) bands (ev): -24.4132 -24.4132 -7.2561 -7.2561 -6.1444 -6.1444 -6.1049 -6.1049 0.1084 0.1084 1.2243 1.2243 4.3281 4.3281 4.6212 4.6212 4.6879 4.6879 5.1197 5.1197 5.4566 5.4566 6.4244 6.4244 6.4656 6.4656 6.5155 6.5155 7.1535 7.1535 7.7493 7.7493 8.9239 8.9239 9.1757 9.1757 9.7876 9.7876 10.6914 10.6914 13.0139 13.0139 13.1743 13.1743 13.3158 13.3158 13.5532 13.5532 k = 0.3710 0.2286 0.0000 ( 3292 PWs) bands (ev): -24.4131 -24.4131 -7.2564 -7.2564 -6.1453 -6.1453 -6.1049 -6.1049 0.1589 0.1589 1.1626 1.1626 4.3296 4.3296 4.6210 4.6210 4.6879 4.6879 5.1198 5.1198 5.4390 5.4390 6.4208 6.4208 6.4617 6.4617 6.5056 6.5056 7.1514 7.1514 7.7488 7.7488 8.9212 8.9212 9.1665 9.1665 9.9501 9.9501 10.6813 10.6813 12.9802 12.9802 13.0795 13.0795 13.4301 13.4301 13.5811 13.5811 k = 0.3871 0.2385 0.0000 ( 3288 PWs) bands (ev): -24.4131 -24.4131 -7.2566 -7.2566 -6.1462 -6.1462 -6.1048 -6.1048 0.2103 0.2103 1.1014 1.1014 4.3303 4.3303 4.6209 4.6209 4.6879 4.6879 5.1202 5.1202 5.4231 5.4231 6.4178 6.4178 6.4584 6.4584 6.4964 6.4964 7.1496 7.1496 7.7482 7.7482 8.9189 8.9189 9.1583 9.1583 10.1162 10.1162 10.6725 10.6725 12.8459 12.8459 13.0390 13.0390 13.5442 13.5442 13.6527 13.6527 k = 0.4032 0.2485 0.0000 ( 3292 PWs) bands (ev): -24.4131 -24.4131 -7.2569 -7.2569 -6.1469 -6.1469 -6.1047 -6.1047 0.2622 0.2622 1.0410 1.0410 4.3305 4.3305 4.6208 4.6208 4.6879 4.6879 5.1208 5.1208 5.4091 5.4091 6.4154 6.4154 6.4555 6.4555 6.4880 6.4880 7.1479 7.1479 7.7477 7.7477 8.9172 8.9172 9.1511 9.1511 10.2851 10.2851 10.6650 10.6650 12.6676 12.6676 13.0278 13.0278 13.6564 13.6564 13.7356 13.7356 k = 0.4194 0.2584 0.0000 ( 3268 PWs) bands (ev): -24.4131 -24.4131 -7.2571 -7.2571 -6.1476 -6.1476 -6.1047 -6.1047 0.3142 0.3142 0.9818 0.9818 4.3302 4.3302 4.6207 4.6207 4.6879 4.6879 5.1215 5.1215 5.3971 5.3971 6.4135 6.4135 6.4531 6.4531 6.4806 6.4806 7.1465 7.1465 7.7473 7.7473 8.9158 8.9158 9.1451 9.1451 10.4557 10.4557 10.6587 10.6587 12.4813 12.4813 13.0213 13.0213 13.7649 13.7649 13.8182 13.8182 k = 0.4355 0.2684 0.0000 ( 3268 PWs) bands (ev): -24.4131 -24.4131 -7.2573 -7.2573 -6.1481 -6.1481 -6.1046 -6.1046 0.3653 0.3653 0.9248 0.9248 4.3298 4.3298 4.6207 4.6207 4.6879 4.6879 5.1224 5.1224 5.3871 5.3871 6.4122 6.4122 6.4512 6.4512 6.4741 6.4741 7.1453 7.1453 7.7469 7.7469 8.9147 8.9147 9.1402 9.1402 10.6262 10.6262 10.6537 10.6537 12.2950 12.2950 13.0164 13.0164 13.8663 13.8663 13.8946 13.8946 k = 0.4516 0.2783 0.0000 ( 3272 PWs) bands (ev): -24.4131 -24.4131 -7.2574 -7.2574 -6.1486 -6.1486 -6.1046 -6.1046 0.4143 0.4143 0.8713 0.8713 4.3293 4.3293 4.6206 4.6206 4.6878 4.6878 5.1231 5.1231 5.3792 5.3792 6.4113 6.4113 6.4497 6.4497 6.4689 6.4689 7.1444 7.1444 7.7465 7.7465 8.9139 8.9139 9.1364 9.1364 10.6498 10.6498 10.7935 10.7935 12.1144 12.1144 13.0127 13.0127 13.9547 13.9547 13.9618 13.9618 k = 0.4677 0.2882 0.0000 ( 3280 PWs) bands (ev): -24.4131 -24.4131 -7.2575 -7.2575 -6.1489 -6.1489 -6.1046 -6.1046 0.4581 0.4581 0.8243 0.8243 4.3288 4.3288 4.6206 4.6206 4.6878 4.6878 5.1238 5.1238 5.3735 5.3735 6.4107 6.4107 6.4486 6.4486 6.4650 6.4650 7.1438 7.1438 7.7463 7.7463 8.9134 8.9134 9.1337 9.1337 10.6470 10.6470 10.9503 10.9503 11.9476 11.9476 13.0101 13.0101 14.0092 14.0092 14.0309 14.0309 k = 0.4839 0.2982 0.0000 ( 3292 PWs) bands (ev): -24.4131 -24.4131 -7.2576 -7.2576 -6.1491 -6.1491 -6.1046 -6.1046 0.4910 0.4910 0.7894 0.7894 4.3285 4.3285 4.6206 4.6206 4.6878 4.6878 5.1242 5.1242 5.3700 5.3700 6.4105 6.4105 6.4480 6.4480 6.4626 6.4626 7.1434 7.1434 7.7461 7.7461 8.9131 8.9131 9.1320 9.1320 10.6453 10.6453 11.0777 11.0777 11.8140 11.8140 13.0085 13.0085 14.0413 14.0413 14.0792 14.0792 k = 0.5000 0.3081 0.0000 ( 3284 PWs) bands (ev): -24.4131 -24.4131 -7.2576 -7.2576 -6.1491 -6.1491 -6.1046 -6.1046 0.5039 0.5039 0.7759 0.7759 4.3284 4.3284 4.6206 4.6206 4.6878 4.6878 5.1243 5.1243 5.3689 5.3689 6.4104 6.4104 6.4478 6.4478 6.4618 6.4618 7.1432 7.1432 7.7461 7.7461 8.9130 8.9130 9.1315 9.1315 10.6448 10.6448 11.1322 11.1322 11.7574 11.7574 13.0080 13.0080 14.0523 14.0523 14.0963 14.0963 k = 0.5000 0.3081 0.0000 ( 3284 PWs) bands (ev): -24.4131 -24.4131 -7.2576 -7.2576 -6.1491 -6.1491 -6.1046 -6.1046 0.5039 0.5039 0.7759 0.7759 4.3284 4.3284 4.6206 4.6206 4.6878 4.6878 5.1243 5.1243 5.3689 5.3689 6.4104 6.4104 6.4478 6.4478 6.4618 6.4618 7.1432 7.1432 7.7461 7.7461 8.9130 8.9130 9.1315 9.1315 10.6448 10.6448 11.1322 11.1322 11.7574 11.7574 13.0080 13.0080 14.0523 14.0523 14.0963 14.0963 k = 0.4930 0.3195 0.0133 ( 3284 PWs) bands (ev): -24.4131 -24.4131 -7.2576 -7.2576 -6.1491 -6.1491 -6.1047 -6.1047 0.5044 0.5044 0.7770 0.7770 4.3293 4.3293 4.6205 4.6205 4.6886 4.6886 5.1244 5.1244 5.3694 5.3694 6.4083 6.4083 6.4458 6.4458 6.4651 6.4651 7.1418 7.1418 7.7422 7.7422 8.9084 8.9084 9.1245 9.1245 10.6567 10.6567 11.1334 11.1334 11.7551 11.7551 13.0138 13.0138 14.0478 14.0478 14.0920 14.0920 k = 0.4860 0.3308 0.0266 ( 3280 PWs) bands (ev): -24.4131 -24.4131 -7.2577 -7.2577 -6.1491 -6.1491 -6.1050 -6.1050 0.5060 0.5060 0.7805 0.7805 4.3318 4.3318 4.6201 4.6201 4.6912 4.6912 5.1247 5.1247 5.3711 5.3711 6.4023 6.4023 6.4423 6.4423 6.4720 6.4720 7.1376 7.1376 7.7308 7.7308 8.8901 8.8901 9.1096 9.1096 10.6902 10.6902 11.1371 11.1371 11.7481 11.7481 13.0310 13.0310 14.0306 14.0306 14.0831 14.0831 k = 0.4790 0.3421 0.0399 ( 3284 PWs) bands (ev): -24.4130 -24.4130 -7.2579 -7.2579 -6.1491 -6.1491 -6.1055 -6.1055 0.5087 0.5087 0.7863 0.7863 4.3360 4.3360 4.6197 4.6197 4.6953 4.6953 5.1251 5.1251 5.3739 5.3739 6.3936 6.3936 6.4391 6.4391 6.4800 6.4800 7.1305 7.1305 7.7123 7.7123 8.8477 8.8477 9.1010 9.1010 10.7400 10.7400 11.1442 11.1442 11.7364 11.7364 13.0598 13.0598 13.9966 13.9966 14.0758 14.0758 k = 0.4721 0.3535 0.0532 ( 3276 PWs) bands (ev): -24.4130 -24.4130 -7.2581 -7.2581 -6.1491 -6.1491 -6.1062 -6.1062 0.5124 0.5124 0.7944 0.7944 4.3419 4.3419 4.6194 4.6194 4.7008 4.7008 5.1257 5.1257 5.3778 5.3778 6.3828 6.3828 6.4359 6.4359 6.4882 6.4882 7.1204 7.1204 7.6876 7.6876 8.7769 8.7769 9.1079 9.1079 10.7984 10.7984 11.1565 11.1565 11.7198 11.7198 13.1001 13.1001 13.9483 13.9483 14.0701 14.0701 k = 0.4651 0.3648 0.0666 ( 3270 PWs) bands (ev): -24.4130 -24.4130 -7.2584 -7.2584 -6.1492 -6.1492 -6.1070 -6.1070 0.5171 0.5171 0.8048 0.8048 4.3495 4.3495 4.6193 4.6193 4.7076 4.7076 5.1267 5.1267 5.3827 5.3827 6.3707 6.3707 6.4324 6.4324 6.4962 6.4962 7.1074 7.1074 7.6578 7.6578 8.6833 8.6833 9.1287 9.1287 10.8565 10.8565 11.1772 11.1772 11.6985 11.6985 13.1518 13.1518 13.8902 13.8902 14.0642 14.0642 k = 0.4581 0.3761 0.0799 ( 3266 PWs) bands (ev): -24.4129 -24.4129 -7.2588 -7.2588 -6.1492 -6.1492 -6.1080 -6.1080 0.5228 0.5228 0.8174 0.8174 4.3586 4.3586 4.6196 4.6196 4.7155 4.7155 5.1279 5.1279 5.3885 5.3885 6.3575 6.3575 6.4286 6.4286 6.5038 6.5038 7.0913 7.0913 7.6238 7.6238 8.5746 8.5746 9.1592 9.1592 10.9058 10.9058 11.2100 11.2100 11.6722 11.6722 13.2147 13.2147 13.8262 13.8262 14.0568 14.0568 k = 0.4511 0.3875 0.0932 ( 3270 PWs) bands (ev): -24.4128 -24.4128 -7.2592 -7.2592 -6.1494 -6.1494 -6.1091 -6.1091 0.5293 0.5293 0.8323 0.8323 4.3692 4.3692 4.6204 4.6204 4.7243 4.7243 5.1295 5.1295 5.3952 5.3952 6.3433 6.3433 6.4243 6.4243 6.5110 6.5110 7.0721 7.0721 7.5866 7.5866 8.4566 8.4566 9.1963 9.1963 10.9403 10.9403 11.2569 11.2569 11.6412 11.6412 13.2880 13.2880 13.7595 13.7595 14.0462 14.0462 k = 0.4441 0.3988 0.1065 ( 3270 PWs) bands (ev): -24.4128 -24.4128 -7.2597 -7.2597 -6.1496 -6.1496 -6.1103 -6.1103 0.5367 0.5367 0.8494 0.8494 4.3814 4.3814 4.6217 4.6217 4.7341 4.7341 5.1315 5.1315 5.4028 5.4028 6.3281 6.3281 6.4194 6.4194 6.5176 6.5176 7.0495 7.0495 7.5472 7.5472 8.3332 8.3332 9.2379 9.2379 10.9594 10.9594 11.3151 11.3151 11.6060 11.6060 13.3706 13.3706 13.6930 13.6930 14.0292 14.0292 k = 0.4371 0.4101 0.1198 ( 3276 PWs) bands (ev): -24.4127 -24.4127 -7.2603 -7.2603 -6.1499 -6.1499 -6.1116 -6.1116 0.5448 0.5448 0.8687 0.8687 4.3950 4.3950 4.6237 4.6237 4.7446 4.7446 5.1340 5.1340 5.4112 5.4112 6.3119 6.3119 6.4138 6.4138 6.5236 6.5236 7.0236 7.0236 7.5064 7.5064 8.2072 8.2072 9.2825 9.2825 10.9660 10.9660 11.3771 11.3771 11.5689 11.5689 13.4588 13.4588 13.6307 13.6307 13.9974 13.9974 k = 0.4302 0.4215 0.1331 ( 3278 PWs) bands (ev): -24.4126 -24.4126 -7.2609 -7.2609 -6.1503 -6.1503 -6.1128 -6.1128 0.5536 0.5536 0.8902 0.8902 4.4099 4.4099 4.6263 4.6263 4.7559 4.7559 5.1370 5.1370 5.4203 5.4203 6.2946 6.2946 6.4075 6.4075 6.5289 6.5289 6.9942 6.9942 7.4649 7.4649 8.0809 8.0809 9.3292 9.3292 10.9633 10.9633 11.4270 11.4270 11.5412 11.5412 13.5246 13.5246 13.6000 13.6000 13.9415 13.9415 k = 0.4232 0.4328 0.1464 ( 3280 PWs) bands (ev): -24.4125 -24.4125 -7.2615 -7.2615 -6.1509 -6.1509 -6.1139 -6.1139 0.5629 0.5629 0.9137 0.9137 4.4261 4.4261 4.6297 4.6297 4.7678 4.7678 5.1405 5.1405 5.4300 5.4300 6.2759 6.2759 6.4004 6.4004 6.5334 6.5334 6.9613 6.9613 7.4233 7.4233 7.9559 7.9559 9.3771 9.3771 10.9532 10.9532 11.4235 11.4235 11.5615 11.5615 13.4907 13.4907 13.6745 13.6745 13.8700 13.8700 k = 0.4162 0.4441 0.1597 ( 3284 PWs) bands (ev): -24.4124 -24.4124 -7.2622 -7.2622 -6.1517 -6.1517 -6.1150 -6.1150 0.5728 0.5728 0.9393 0.9393 4.4434 4.4434 4.6338 4.6338 4.7804 4.7804 5.1445 5.1445 5.4404 5.4404 6.2557 6.2557 6.3925 6.3925 6.5372 6.5372 6.9249 6.9249 7.3820 7.3820 7.8338 7.8338 9.4256 9.4256 10.9368 10.9368 11.3770 11.3770 11.6181 11.6181 13.4392 13.4392 13.7603 13.7603 13.8021 13.8021 k = 0.4092 0.4554 0.1731 ( 3280 PWs) bands (ev): -24.4123 -24.4123 -7.2630 -7.2630 -6.1528 -6.1528 -6.1160 -6.1160 0.5829 0.5829 0.9670 0.9670 4.4619 4.4619 4.6387 4.6387 4.7935 4.7935 5.1491 5.1491 5.4514 5.4514 6.2334 6.2334 6.3837 6.3837 6.5401 6.5401 6.8852 6.8852 7.3413 7.3413 7.7160 7.7160 9.4743 9.4743 10.9146 10.9146 11.3170 11.3170 11.6810 11.6810 13.3904 13.3904 13.7235 13.7235 13.8421 13.8421 k = 0.4022 0.4668 0.1864 ( 3280 PWs) bands (ev): -24.4122 -24.4122 -7.2638 -7.2638 -6.1540 -6.1540 -6.1167 -6.1167 0.5933 0.5933 0.9965 0.9965 4.4813 4.4813 4.6444 4.6444 4.8071 4.8071 5.1542 5.1542 5.4630 5.4630 6.2086 6.2086 6.3739 6.3739 6.5421 6.5421 6.8425 6.8425 7.3014 7.3014 7.6037 7.6037 9.5226 9.5226 10.8869 10.8869 11.2499 11.2499 11.7438 11.7438 13.3461 13.3461 13.6628 13.6628 13.8737 13.8737 k = 0.3952 0.4781 0.1997 ( 3277 PWs) bands (ev): -24.4121 -24.4121 -7.2646 -7.2646 -6.1555 -6.1555 -6.1173 -6.1173 0.6037 0.6037 1.0280 1.0280 4.5016 4.5016 4.6510 4.6510 4.8210 4.8210 5.1599 5.1599 5.4751 5.4751 6.1808 6.1808 6.3632 6.3632 6.5432 6.5432 6.7972 6.7972 7.2624 7.2624 7.4982 7.4982 9.5703 9.5703 10.8538 10.8538 11.1777 11.1777 11.8054 11.8054 13.3065 13.3065 13.6098 13.6098 13.8713 13.8713 k = 0.3883 0.4894 0.2130 ( 3277 PWs) bands (ev): -24.4120 -24.4120 -7.2654 -7.2654 -6.1572 -6.1572 -6.1177 -6.1177 0.6141 0.6141 1.0612 1.0612 4.5226 4.5226 4.6584 4.6584 4.8353 4.8353 5.1660 5.1660 5.4876 5.4876 6.1492 6.1492 6.3516 6.3516 6.5433 6.5433 6.7503 6.7503 7.2243 7.2243 7.4005 7.4005 9.6171 9.6171 10.8157 10.8157 11.1012 11.1012 11.8655 11.8655 13.2716 13.2716 13.5652 13.5652 13.8504 13.8504 k = 0.3813 0.5008 0.2263 ( 3281 PWs) bands (ev): -24.4119 -24.4119 -7.2663 -7.2663 -6.1591 -6.1591 -6.1179 -6.1179 0.6242 0.6242 1.0962 1.0962 4.5443 4.5443 4.6667 4.6667 4.8498 4.8498 5.1726 5.1726 5.5006 5.5006 6.1130 6.1130 6.3390 6.3390 6.5423 6.5423 6.7027 6.7027 7.1870 7.1870 7.3115 7.3115 9.6628 9.6628 10.7729 10.7729 11.0211 11.0211 11.9244 11.9244 13.2408 13.2408 13.5290 13.5290 13.8199 13.8199 k = 0.3743 0.5121 0.2396 ( 3275 PWs) bands (ev): -24.4117 -24.4117 -7.2671 -7.2671 -6.1611 -6.1611 -6.1180 -6.1180 0.6339 0.6339 1.1328 1.1328 4.5664 4.5664 4.6759 4.6759 4.8644 4.8644 5.1795 5.1795 5.5138 5.5138 6.0716 6.0716 6.3255 6.3255 6.5398 6.5398 6.6559 6.6559 7.1500 7.1500 7.2318 7.2318 9.7072 9.7072 10.7258 10.7258 10.9380 10.9380 11.9822 11.9822 13.2137 13.2137 13.5001 13.5001 13.7841 13.7841 k = 0.3673 0.5234 0.2529 ( 3275 PWs) bands (ev): -24.4116 -24.4116 -7.2680 -7.2680 -6.1633 -6.1633 -6.1179 -6.1179 0.6431 0.6431 1.1710 1.1710 4.5887 4.5887 4.6860 4.6860 4.8790 4.8790 5.1868 5.1868 5.5271 5.5271 6.0249 6.0249 6.3112 6.3112 6.5351 6.5351 6.6120 6.6120 7.1121 7.1121 7.1628 7.1628 9.7503 9.7503 10.6749 10.6749 10.8524 10.8524 12.0394 12.0394 13.1897 13.1897 13.4762 13.4762 13.7464 13.7464 k = 0.3603 0.5348 0.2662 ( 3275 PWs) bands (ev): -24.4115 -24.4115 -7.2689 -7.2689 -6.1656 -6.1656 -6.1176 -6.1176 0.6515 0.6515 1.2106 1.2106 4.6112 4.6112 4.6973 4.6973 4.8933 4.8933 5.1943 5.1943 5.5400 5.5400 5.9732 5.9732 6.2960 6.2960 6.5259 6.5259 6.5745 6.5745 7.0698 7.0698 7.1078 7.1078 9.7919 9.7919 10.6207 10.6207 10.7649 10.7649 12.0962 12.0962 13.1684 13.1684 13.4535 13.4535 13.7111 13.7111 k = 0.3533 0.5461 0.2796 ( 3271 PWs) bands (ev): -24.4114 -24.4114 -7.2698 -7.2698 -6.1679 -6.1679 -6.1173 -6.1173 0.6590 0.6590 1.2515 1.2515 4.6334 4.6334 4.7097 4.7097 4.9073 4.9073 5.2019 5.2019 5.5518 5.5518 5.9178 5.9178 6.2797 6.2797 6.5068 6.5068 6.5497 6.5497 7.0223 7.0223 7.0672 7.0672 9.8321 9.8321 10.5640 10.5640 10.6760 10.6760 12.1529 12.1529 13.1495 13.1495 13.4261 13.4261 13.6842 13.6842 k = 0.3464 0.5574 0.2929 ( 3263 PWs) bands (ev): -24.4113 -24.4113 -7.2706 -7.2706 -6.1702 -6.1702 -6.1168 -6.1168 0.6653 0.6653 1.2936 1.2936 4.6549 4.6549 4.7236 4.7236 4.9208 4.9208 5.2095 5.2095 5.5609 5.5609 5.8616 5.8616 6.2619 6.2619 6.4798 6.4798 6.5363 6.5363 6.9753 6.9753 7.0347 7.0347 9.8707 9.8707 10.5049 10.5049 10.5864 10.5864 12.2095 12.2095 13.1327 13.1327 13.3883 13.3883 13.6713 13.6713 k = 0.3394 0.5688 0.3062 ( 3259 PWs) bands (ev): -24.4112 -24.4112 -7.2715 -7.2715 -6.1725 -6.1725 -6.1164 -6.1164 0.6704 0.6704 1.3367 1.3367 4.6755 4.6755 4.7391 4.7391 4.9334 4.9334 5.2169 5.2169 5.5641 5.5641 5.8094 5.8094 6.2421 6.2421 6.4537 6.4537 6.5264 6.5264 6.9321 6.9321 7.0064 7.0064 9.9079 9.9079 10.4433 10.4433 10.4976 10.4976 12.2664 12.2664 13.1178 13.1178 13.3379 13.3379 13.6745 13.6745 k = 0.3324 0.5801 0.3195 ( 3251 PWs) bands (ev): -24.4111 -24.4111 -7.2722 -7.2722 -6.1747 -6.1747 -6.1158 -6.1158 0.6739 0.6739 1.3808 1.3808 4.6946 4.6946 4.7565 4.7565 4.9450 4.9450 5.2235 5.2235 5.5557 5.5557 5.7687 5.7687 6.2200 6.2200 6.4319 6.4319 6.5167 6.5167 6.8927 6.8927 6.9818 6.9818 9.9436 9.9436 10.3755 10.3755 10.4142 10.4142 12.3233 12.3233 13.1045 13.1045 13.2769 13.2769 13.6920 13.6920 k = 0.3254 0.5914 0.3328 ( 3255 PWs) bands (ev): -24.4110 -24.4110 -7.2730 -7.2730 -6.1768 -6.1768 -6.1152 -6.1152 0.6758 0.6758 1.4256 1.4256 4.7120 4.7120 4.7757 4.7757 4.9553 4.9553 5.2286 5.2286 5.5307 5.5307 5.7468 5.7468 6.1955 6.1955 6.4153 6.4153 6.5065 6.5065 6.8565 6.8565 6.9610 6.9610 9.9776 9.9776 10.2950 10.2950 10.3438 10.3438 12.3801 12.3801 13.0920 13.0920 13.2089 13.2089 13.7207 13.7207 k = 0.3184 0.6028 0.3461 ( 3257 PWs) bands (ev): -24.4109 -24.4109 -7.2737 -7.2737 -6.1789 -6.1789 -6.1146 -6.1146 0.6758 0.6758 1.4710 1.4710 4.7278 4.7278 4.7964 4.7964 4.9640 4.9640 5.2307 5.2307 5.4924 5.4924 5.7434 5.7434 6.1688 6.1688 6.4038 6.4038 6.4958 6.4958 6.8226 6.8226 6.9442 6.9442 10.0095 10.0095 10.2065 10.2065 10.2832 10.2832 12.4365 12.4365 13.0765 13.0765 13.1404 13.1404 13.7581 13.7581 k = 0.3114 0.6141 0.3594 ( 3261 PWs) bands (ev): -24.4108 -24.4108 -7.2744 -7.2744 -6.1807 -6.1807 -6.1140 -6.1140 0.6738 0.6738 1.5167 1.5167 4.7422 4.7422 4.8181 4.8181 4.9709 4.9709 5.2268 5.2268 5.4516 5.4516 5.7517 5.7517 6.1408 6.1408 6.3967 6.3967 6.4850 6.4850 6.7905 6.7905 6.9315 6.9315 10.0371 10.0371 10.1171 10.1171 10.2282 10.2282 12.4915 12.4915 13.0349 13.0349 13.0970 13.0970 13.8024 13.8024 k = 0.3045 0.6254 0.3727 ( 3263 PWs) bands (ev): -24.4107 -24.4107 -7.2750 -7.2750 -6.1825 -6.1825 -6.1135 -6.1135 0.6696 0.6696 1.5628 1.5628 4.7552 4.7552 4.8400 4.8400 4.9754 4.9754 5.2136 5.2136 5.4185 5.4185 5.7664 5.7664 6.1123 6.1123 6.3931 6.3931 6.4748 6.4748 6.7597 6.7597 6.9229 6.9229 10.0166 10.0166 10.0686 10.0686 10.1817 10.1817 12.5432 12.5432 12.9642 12.9642 13.0847 13.0847 13.8523 13.8523 k = 0.2975 0.6368 0.3860 ( 3259 PWs) bands (ev): -24.4107 -24.4107 -7.2755 -7.2755 -6.1840 -6.1840 -6.1129 -6.1129 0.6631 0.6631 1.6088 1.6088 4.7669 4.7669 4.8614 4.8614 4.9768 4.9768 5.1895 5.1895 5.3992 5.3992 5.7842 5.7842 6.0842 6.0842 6.3920 6.3920 6.4663 6.4663 6.7299 6.7299 6.9182 6.9182 9.9283 9.9283 10.0669 10.0669 10.1581 10.1581 12.5865 12.5865 12.8933 12.8933 13.0802 13.0802 13.9066 13.9066 k = 0.2975 0.6368 0.3860 ( 3259 PWs) bands (ev): -24.4107 -24.4107 -7.2755 -7.2755 -6.1840 -6.1840 -6.1129 -6.1129 0.6631 0.6631 1.6088 1.6088 4.7669 4.7669 4.8614 4.8614 4.9768 4.9768 5.1895 5.1895 5.3992 5.3992 5.7842 5.7842 6.0842 6.0842 6.3920 6.3920 6.4663 6.4663 6.7299 6.7299 6.9182 6.9182 9.9283 9.9283 10.0669 10.0669 10.1581 10.1581 12.5865 12.5865 12.8933 12.8933 13.0802 13.0802 13.9066 13.9066 k = 0.2800 0.6322 0.3914 ( 3247 PWs) bands (ev): -24.4106 -24.4106 -7.2757 -7.2757 -6.1846 -6.1846 -6.1127 -6.1127 0.6591 0.6591 1.6281 1.6281 4.7713 4.7713 4.8686 4.8686 4.9764 4.9764 5.1777 5.1777 5.3968 5.3968 5.7914 5.7914 6.0738 6.0738 6.3918 6.3918 6.4640 6.4640 6.7182 6.7182 6.9179 6.9179 9.8326 9.8326 10.1000 10.1000 10.1784 10.1784 12.5990 12.5990 12.8668 12.8668 13.0782 13.0782 13.9077 13.9077 k = 0.2625 0.6277 0.3967 ( 3249 PWs) bands (ev): -24.4106 -24.4106 -7.2759 -7.2759 -6.1851 -6.1851 -6.1124 -6.1124 0.6533 0.6533 1.6489 1.6489 4.7755 4.7755 4.8732 4.8732 4.9764 4.9764 5.1658 5.1658 5.3984 5.3984 5.7980 5.7980 6.0649 6.0649 6.3911 6.3911 6.4630 6.4630 6.7065 6.7065 6.9193 6.9193 9.6989 9.6989 10.1353 10.1353 10.2396 10.2396 12.6069 12.6069 12.8412 12.8412 13.0748 13.0748 13.8709 13.8709 k = 0.2450 0.6232 0.4020 ( 3251 PWs) bands (ev): -24.4106 -24.4106 -7.2760 -7.2760 -6.1856 -6.1856 -6.1122 -6.1122 0.6463 0.6463 1.6705 1.6705 4.7795 4.7795 4.8746 4.8746 4.9775 4.9775 5.1548 5.1548 5.4031 5.4031 5.8036 5.8036 6.0575 6.0575 6.3899 6.3899 6.4632 6.4632 6.6950 6.6950 6.9226 6.9226 9.5622 9.5622 10.1552 10.1552 10.3247 10.3247 12.6085 12.6085 12.8180 12.8180 13.0716 13.0716 13.8093 13.8093 k = 0.2275 0.6187 0.4073 ( 3260 PWs) bands (ev): -24.4106 -24.4106 -7.2762 -7.2762 -6.1861 -6.1861 -6.1119 -6.1119 0.6385 0.6385 1.6926 1.6926 4.7830 4.7830 4.8728 4.8728 4.9801 4.9801 5.1454 5.1454 5.4101 5.4101 5.8081 5.8081 6.0516 6.0516 6.3881 6.3881 6.4644 6.4644 6.6836 6.6836 6.9278 6.9278 9.4279 9.4279 10.1705 10.1705 10.4176 10.4176 12.6029 12.6029 12.7965 12.7965 13.0705 13.0705 13.7354 13.7354 k = 0.2100 0.6141 0.4127 ( 3258 PWs) bands (ev): -24.4106 -24.4106 -7.2763 -7.2763 -6.1865 -6.1865 -6.1116 -6.1116 0.6301 0.6301 1.7145 1.7145 4.7858 4.7858 4.8685 4.8685 4.9843 4.9843 5.1377 5.1377 5.4189 5.4189 5.8115 5.8115 6.0473 6.0473 6.3857 6.3857 6.4665 6.4665 6.6724 6.6724 6.9350 6.9350 9.2976 9.2976 10.1842 10.1842 10.5140 10.5140 12.5909 12.5909 12.7736 12.7736 13.0734 13.0734 13.6582 13.6582 k = 0.1925 0.6096 0.4180 ( 3256 PWs) bands (ev): -24.4105 -24.4105 -7.2764 -7.2764 -6.1869 -6.1869 -6.1113 -6.1113 0.6216 0.6216 1.7359 1.7359 4.7872 4.7872 4.8629 4.8629 4.9895 4.9895 5.1316 5.1316 5.4288 5.4288 5.8137 5.8137 6.0444 6.0444 6.3829 6.3829 6.4692 6.4692 6.6615 6.6615 6.9443 6.9443 9.1725 9.1725 10.1970 10.1970 10.6123 10.6123 12.5742 12.5742 12.7452 12.7452 13.0818 13.0818 13.5835 13.5835 k = 0.1750 0.6051 0.4233 ( 3258 PWs) bands (ev): -24.4105 -24.4105 -7.2765 -7.2765 -6.1873 -6.1873 -6.1111 -6.1111 0.6131 0.6131 1.7564 1.7564 4.7869 4.7869 4.8576 4.8576 4.9953 4.9953 5.1271 5.1271 5.4396 5.4396 5.8147 5.8147 6.0430 6.0430 6.3798 6.3798 6.4722 6.4722 6.6510 6.6510 6.9555 6.9555 9.0532 9.0532 10.2088 10.2088 10.7120 10.7120 12.5546 12.5546 12.7079 12.7079 13.0961 13.0961 13.5151 13.5151 k = 0.1575 0.6005 0.4286 ( 3258 PWs) bands (ev): -24.4105 -24.4105 -7.2766 -7.2766 -6.1876 -6.1876 -6.1108 -6.1108 0.6049 0.6049 1.7757 1.7757 4.7843 4.7843 4.8537 4.8537 5.0010 5.0010 5.1238 5.1238 5.4508 5.4508 5.8147 5.8147 6.0427 6.0427 6.3764 6.3764 6.4756 6.4756 6.6409 6.6409 6.9686 6.9686 8.9406 8.9406 10.2198 10.2198 10.8126 10.8126 12.5333 12.5333 12.6605 12.6605 13.1154 13.1154 13.4556 13.4556 k = 0.1400 0.5960 0.4339 ( 3260 PWs) bands (ev): -24.4105 -24.4105 -7.2766 -7.2766 -6.1879 -6.1879 -6.1106 -6.1106 0.5972 0.5972 1.7936 1.7936 4.7797 4.7797 4.8518 4.8518 5.0065 5.0065 5.1216 5.1216 5.4621 5.4621 5.8138 5.8138 6.0434 6.0434 6.3728 6.3728 6.4789 6.4789 6.6315 6.6315 6.9833 6.9833 8.8354 8.8354 10.2299 10.2299 10.9138 10.9138 12.5091 12.5091 12.6054 12.6054 13.1380 13.1380 13.4060 13.4060 k = 0.1225 0.5915 0.4393 ( 3260 PWs) bands (ev): -24.4105 -24.4105 -7.2767 -7.2767 -6.1882 -6.1882 -6.1104 -6.1104 0.5901 0.5901 1.8098 1.8098 4.7736 4.7736 4.8517 4.8517 5.0113 5.0113 5.1203 5.1203 5.4732 5.4732 5.8122 5.8122 6.0449 6.0449 6.3691 6.3691 6.4823 6.4823 6.6226 6.6226 6.9992 6.9992 8.7384 8.7384 10.2390 10.2390 11.0152 11.0152 12.4753 12.4753 12.5514 12.5514 13.1618 13.1618 13.3669 13.3669 k = 0.1050 0.5869 0.4446 ( 3266 PWs) bands (ev): -24.4105 -24.4105 -7.2768 -7.2768 -6.1884 -6.1884 -6.1102 -6.1102 0.5837 0.5837 1.8242 1.8242 4.7669 4.7669 4.8527 4.8527 5.0154 5.0154 5.1198 5.1198 5.4837 5.4837 5.8102 5.8102 6.0468 6.0468 6.3656 6.3656 6.4855 6.4855 6.6146 6.6146 7.0158 7.0158 8.6507 8.6507 10.2470 10.2470 11.1163 11.1163 12.4183 12.4183 12.5146 12.5146 13.1843 13.1843 13.3382 13.3382 k = 0.0875 0.5824 0.4499 ( 3264 PWs) bands (ev): -24.4105 -24.4105 -7.2768 -7.2768 -6.1886 -6.1886 -6.1100 -6.1100 0.5781 0.5781 1.8366 1.8366 4.7604 4.7604 4.8543 4.8543 5.0187 5.0187 5.1197 5.1197 5.4934 5.4934 5.8081 5.8081 6.0490 6.0490 6.3622 6.3622 6.4885 6.4885 6.6074 6.6074 7.0323 7.0323 8.5733 8.5733 10.2539 10.2539 11.2162 11.2162 12.3423 12.3423 12.4935 12.4935 13.2024 13.2024 13.3203 13.3203 k = 0.0700 0.5779 0.4552 ( 3263 PWs) bands (ev): -24.4105 -24.4105 -7.2768 -7.2768 -6.1888 -6.1888 -6.1098 -6.1098 0.5735 0.5735 1.8469 1.8469 4.7545 4.7545 4.8562 4.8562 5.0212 5.0212 5.1200 5.1200 5.5018 5.5018 5.8060 5.8060 6.0512 6.0512 6.3592 6.3592 6.4912 6.4912 6.6012 6.6012 7.0479 7.0479 8.5074 8.5074 10.2596 10.2596 11.3137 11.3137 12.2590 12.2590 12.4795 12.4795 13.2133 13.2133 13.3134 13.3134 k = 0.0525 0.5733 0.4606 ( 3263 PWs) bands (ev): -24.4105 -24.4105 -7.2769 -7.2769 -6.1889 -6.1889 -6.1097 -6.1097 0.5698 0.5698 1.8549 1.8549 4.7497 4.7497 4.8578 4.8578 5.0231 5.0231 5.1204 5.1204 5.5087 5.5087 5.8042 5.8042 6.0531 6.0531 6.3566 6.3566 6.4934 6.4934 6.5962 6.5962 7.0615 7.0615 8.4544 8.4544 10.2640 10.2640 11.4065 11.4065 12.1751 12.1751 12.4696 12.4696 13.2169 13.2169 13.3155 13.3155 k = 0.0350 0.5688 0.4659 ( 3263 PWs) bands (ev): -24.4105 -24.4105 -7.2769 -7.2769 -6.1890 -6.1890 -6.1096 -6.1096 0.5671 0.5671 1.8608 1.8608 4.7460 4.7460 4.8592 4.8592 5.0243 5.0243 5.1209 5.1209 5.5139 5.5139 5.8027 5.8027 6.0546 6.0546 6.3547 6.3547 6.4951 6.4951 6.5925 6.5925 7.0722 7.0722 8.4154 8.4154 10.2672 10.2672 11.4896 11.4896 12.0974 12.0974 12.4628 12.4628 13.2164 13.2164 13.3214 13.3214 k = 0.0175 0.5643 0.4712 ( 3272 PWs) bands (ev): -24.4105 -24.4105 -7.2769 -7.2769 -6.1890 -6.1890 -6.1096 -6.1096 0.5655 0.5655 1.8643 1.8643 4.7438 4.7438 4.8601 4.8601 5.0250 5.0250 5.1212 5.1212 5.5171 5.5171 5.8018 5.8018 6.0555 6.0555 6.3535 6.3535 6.4962 6.4962 6.5902 6.5902 7.0791 7.0791 8.3915 8.3915 10.2692 10.2692 11.5527 11.5527 12.0372 12.0372 12.4589 12.4589 13.2150 13.2150 13.3266 13.3266 k = 0.0000 0.5597 0.4765 ( 3278 PWs) bands (ev): -24.4105 -24.4105 -7.2769 -7.2769 -6.1891 -6.1891 -6.1096 -6.1096 0.5650 0.5650 1.8654 1.8654 4.7431 4.7431 4.8603 4.8603 5.0252 5.0252 5.1213 5.1213 5.5181 5.5181 5.8015 5.8015 6.0558 6.0558 6.3531 6.3531 6.4966 6.4966 6.5894 6.5894 7.0815 7.0815 8.3834 8.3834 10.2698 10.2698 11.5777 11.5777 12.0131 12.0131 12.4575 12.4575 13.2144 13.2144 13.3286 13.3286 k = 0.0000 0.5597 0.4765 ( 3278 PWs) bands (ev): -24.4105 -24.4105 -7.2769 -7.2769 -6.1891 -6.1891 -6.1096 -6.1096 0.5650 0.5650 1.8654 1.8654 4.7431 4.7431 4.8603 4.8603 5.0252 5.0252 5.1213 5.1213 5.5181 5.5181 5.8015 5.8015 6.0558 6.0558 6.3531 6.3531 6.4966 6.4966 6.5894 6.5894 7.0815 7.0815 8.3834 8.3834 10.2698 10.2698 11.5777 11.5777 12.0131 12.0131 12.4575 12.4575 13.2144 13.2144 13.3286 13.3286 k = 0.0071 0.5482 0.4901 ( 3274 PWs) bands (ev): -24.4105 -24.4105 -7.2769 -7.2769 -6.1890 -6.1890 -6.1097 -6.1097 0.5652 0.5652 1.8665 1.8665 4.7400 4.7400 4.8610 4.8610 5.0227 5.0227 5.1235 5.1235 5.5166 5.5166 5.8039 5.8039 6.0568 6.0568 6.3543 6.3543 6.4975 6.4975 6.5908 6.5908 7.0812 7.0812 8.3840 8.3840 10.2651 10.2651 11.5718 11.5718 11.9909 11.9909 12.4508 12.4508 13.2310 13.2310 13.3476 13.3476 k = 0.0143 0.5366 0.5038 ( 3274 PWs) bands (ev): -24.4105 -24.4105 -7.2770 -7.2770 -6.1889 -6.1889 -6.1100 -6.1100 0.5660 0.5660 1.8696 1.8696 4.7313 4.7313 4.8620 4.8620 5.0163 5.0163 5.1294 5.1294 5.5123 5.5123 5.8107 5.8107 6.0597 6.0597 6.3577 6.3577 6.5004 6.5004 6.5950 6.5950 7.0804 7.0804 8.3855 8.3855 10.2509 10.2509 11.5541 11.5541 11.9268 11.9268 12.4371 12.4371 13.2623 13.2623 13.4145 13.4145 k = 0.0214 0.5250 0.5174 ( 3266 PWs) bands (ev): -24.4104 -24.4104 -7.2771 -7.2771 -6.1887 -6.1887 -6.1105 -6.1105 0.5672 0.5672 1.8749 1.8749 4.7181 4.7181 4.8612 4.8612 5.0090 5.0090 5.1371 5.1371 5.5059 5.5059 5.8209 5.8209 6.0648 6.0648 6.3634 6.3634 6.5051 6.5051 6.6018 6.6018 7.0793 7.0793 8.3881 8.3881 10.2278 10.2278 11.5245 11.5245 11.8287 11.8287 12.4258 12.4258 13.2916 13.2916 13.5291 13.5291 k = 0.0286 0.5134 0.5310 ( 3270 PWs) bands (ev): -24.4104 -24.4104 -7.2772 -7.2772 -6.1884 -6.1884 -6.1112 -6.1112 0.5689 0.5689 1.8822 1.8822 4.7015 4.7015 4.8562 4.8562 5.0036 5.0036 5.1453 5.1453 5.4985 5.4985 5.8329 5.8329 6.0726 6.0726 6.3712 6.3712 6.5117 6.5117 6.6112 6.6112 7.0777 7.0777 8.3917 8.3917 10.1963 10.1963 11.4827 11.4827 11.7078 11.7078 12.4207 12.4207 13.3230 13.3230 13.6734 13.6734 k = 0.0357 0.5018 0.5446 ( 3270 PWs) bands (ev): -24.4103 -24.4103 -7.2774 -7.2774 -6.1881 -6.1881 -6.1121 -6.1121 0.5711 0.5711 1.8915 1.8915 4.6825 4.6825 4.8452 4.8452 5.0021 5.0021 5.1531 5.1531 5.4909 5.4909 5.8454 5.8454 6.0835 6.0835 6.3810 6.3810 6.5203 6.5203 6.6227 6.6227 7.0761 7.0761 8.3963 8.3963 10.1573 10.1573 11.4273 11.4273 11.5755 11.5755 12.4212 12.4212 13.3603 13.3603 13.8347 13.8347 k = 0.0429 0.4902 0.5582 ( 3272 PWs) bands (ev): -24.4103 -24.4103 -7.2776 -7.2776 -6.1877 -6.1877 -6.1132 -6.1132 0.5737 0.5737 1.9028 1.9028 4.6616 4.6616 4.8281 4.8281 5.0051 5.0051 5.1603 5.1603 5.4839 5.4839 5.8571 5.8571 6.0976 6.0976 6.3926 6.3926 6.5305 6.5305 6.6363 6.6363 7.0745 7.0745 8.4018 8.4018 10.1116 10.1116 11.3514 11.3514 11.4458 11.4458 12.4262 12.4262 13.4049 13.4049 14.0058 14.0058 k = 0.0500 0.4786 0.5718 ( 3272 PWs) bands (ev): -24.4102 -24.4102 -7.2778 -7.2778 -6.1873 -6.1873 -6.1144 -6.1144 0.5767 0.5767 1.9161 1.9161 4.6392 4.6392 4.8056 4.8056 5.0116 5.0116 5.1666 5.1666 5.4778 5.4778 5.8673 5.8673 6.1151 6.1151 6.4060 6.4060 6.5425 6.5425 6.6515 6.6515 7.0732 7.0732 8.4083 8.4083 10.0602 10.0602 11.2386 11.2386 11.3405 11.3405 12.4347 12.4347 13.4571 13.4571 14.1828 14.1828 k = 0.0571 0.4670 0.5855 ( 3268 PWs) bands (ev): -24.4101 -24.4101 -7.2781 -7.2781 -6.1868 -6.1868 -6.1158 -6.1158 0.5802 0.5802 1.9312 1.9312 4.6157 4.6157 4.7793 4.7793 5.0208 5.0208 5.1722 5.1722 5.4729 5.4729 5.8755 5.8755 6.1357 6.1357 6.4210 6.4210 6.5559 6.5559 6.6681 6.6681 7.0725 7.0725 8.4156 8.4156 10.0040 10.0040 11.0993 11.0993 11.2529 11.2529 12.4460 12.4460 13.5163 13.5163 14.3626 14.3626 k = 0.0643 0.4554 0.5991 ( 3272 PWs) bands (ev): -24.4101 -24.4101 -7.2784 -7.2784 -6.1862 -6.1862 -6.1174 -6.1174 0.5840 0.5840 1.9481 1.9481 4.5911 4.5911 4.7501 4.7501 5.0315 5.0315 5.1771 5.1771 5.4693 5.4693 5.8820 5.8820 6.1587 6.1587 6.4374 6.4374 6.5705 6.5705 6.6857 6.6857 7.0729 7.0729 8.4236 8.4236 9.9438 9.9438 10.9531 10.9531 11.1660 11.1660 12.4593 12.4593 13.5820 13.5820 14.5430 14.5430 k = 0.0714 0.4438 0.6127 ( 3270 PWs) bands (ev): -24.4100 -24.4100 -7.2787 -7.2787 -6.1856 -6.1856 -6.1190 -6.1190 0.5882 0.5882 1.9668 1.9668 4.5659 4.5659 4.7190 4.7190 5.0434 5.0434 5.1816 5.1816 5.4670 5.4670 5.8867 5.8867 6.1835 6.1835 6.4553 6.4553 6.5862 6.5862 6.7040 6.7040 7.0748 7.0748 8.4323 8.4323 9.8804 9.8804 10.8067 10.8067 11.0760 11.0760 12.4744 12.4744 13.6532 13.6532 14.7212 14.7212 k = 0.0786 0.4322 0.6263 ( 3264 PWs) bands (ev): -24.4099 -24.4099 -7.2791 -7.2791 -6.1851 -6.1851 -6.1207 -6.1207 0.5927 0.5927 1.9870 1.9870 4.5400 4.5400 4.6865 4.6865 5.0559 5.0559 5.1860 5.1860 5.4657 5.4657 5.8902 5.8902 6.2092 6.2092 6.4743 6.4743 6.6024 6.6024 6.7226 6.7226 7.0787 7.0787 8.4416 8.4416 9.8147 9.8147 10.6623 10.6623 10.9825 10.9825 12.4908 12.4908 13.7290 13.7290 14.8930 14.8930 k = 0.0857 0.4207 0.6399 ( 3260 PWs) bands (ev): -24.4098 -24.4098 -7.2795 -7.2795 -6.1845 -6.1845 -6.1225 -6.1225 0.5975 0.5975 2.0088 2.0088 4.5137 4.5137 4.6532 4.6532 5.0689 5.0689 5.1904 5.1904 5.4655 5.4655 5.8927 5.8927 6.2352 6.2352 6.4943 6.4943 6.6190 6.6190 6.7411 6.7411 7.0851 7.0851 8.4513 8.4513 9.7472 9.7472 10.5211 10.5211 10.8859 10.8859 12.5081 12.5081 13.8084 13.8084 15.0486 15.0486 k = 0.0929 0.4091 0.6535 ( 3264 PWs) bands (ev): -24.4097 -24.4097 -7.2799 -7.2799 -6.1839 -6.1839 -6.1243 -6.1243 0.6026 0.6026 2.0319 2.0319 4.4870 4.4870 4.6195 4.6195 5.0822 5.0822 5.1953 5.1953 5.4659 5.4659 5.8944 5.8944 6.2607 6.2607 6.5151 6.5151 6.6355 6.6355 6.7595 6.7595 7.0945 7.0945 8.4612 8.4612 9.6785 9.6785 10.3840 10.3840 10.7872 10.7872 12.5258 12.5258 13.8906 13.8906 15.1759 15.1759 k = 0.1000 0.3975 0.6671 ( 3256 PWs) bands (ev): -24.4095 -24.4095 -7.2803 -7.2803 -6.1834 -6.1834 -6.1261 -6.1261 0.6078 0.6078 2.0563 2.0563 4.4602 4.4602 4.5856 4.5856 5.0957 5.0957 5.2007 5.2007 5.4670 5.4670 5.8955 5.8955 6.2854 6.2854 6.5364 6.5364 6.6517 6.6517 6.7774 6.7774 7.1074 7.1074 8.4712 8.4712 9.6094 9.6094 10.2517 10.2517 10.6868 10.6868 12.5435 12.5435 13.9747 13.9747 15.2785 15.2786 k = 0.1071 0.3859 0.6808 ( 3254 PWs) bands (ev): -24.4094 -24.4094 -7.2808 -7.2808 -6.1829 -6.1829 -6.1279 -6.1279 0.6133 0.6133 2.0818 2.0818 4.4334 4.4334 4.5519 4.5519 5.1093 5.1093 5.2070 5.2070 5.4684 5.4684 5.8962 5.8962 6.3087 6.3087 6.5577 6.5577 6.6672 6.6672 6.7951 6.7951 7.1240 7.1240 8.4808 8.4808 9.5404 9.5404 10.1247 10.1247 10.5857 10.5857 12.5608 12.5608 14.0599 14.0599 15.2731 15.2731 k = 0.1143 0.3743 0.6944 ( 3256 PWs) bands (ev): -24.4093 -24.4093 -7.2812 -7.2812 -6.1824 -6.1824 -6.1297 -6.1297 0.6188 0.6188 2.1082 2.1082 4.4067 4.4067 4.5185 4.5185 5.1229 5.1229 5.2142 5.2142 5.4700 5.4700 5.8964 5.8964 6.3304 6.3304 6.5785 6.5785 6.6819 6.6819 6.8124 6.8124 7.1445 7.1445 8.4899 8.4899 9.4719 9.4719 10.0036 10.0036 10.4843 10.4843 12.5771 12.5771 14.1456 14.1456 15.2150 15.2150 k = 0.1214 0.3627 0.7080 ( 3256 PWs) bands (ev): -24.4092 -24.4092 -7.2817 -7.2817 -6.1821 -6.1821 -6.1313 -6.1313 0.6245 0.6245 2.1354 2.1354 4.3802 4.3802 4.4857 4.4857 5.1367 5.1367 5.2226 5.2226 5.4717 5.4717 5.8962 5.8962 6.3502 6.3502 6.5981 6.5981 6.6960 6.6960 6.8297 6.8297 7.1689 7.1689 8.4979 8.4979 9.4045 9.4045 9.8890 9.8890 10.3835 10.3835 12.5920 12.5920 14.2312 14.2312 15.1484 15.1484 k = 0.1286 0.3511 0.7216 ( 3258 PWs) bands (ev): -24.4091 -24.4091 -7.2822 -7.2822 -6.1818 -6.1818 -6.1329 -6.1329 0.6302 0.6302 2.1632 2.1632 4.3542 4.3542 4.4536 4.4536 5.1504 5.1504 5.2324 5.2324 5.4733 5.4733 5.8954 5.8954 6.3680 6.3680 6.6156 6.6156 6.7098 6.7098 6.8471 6.8471 7.1969 7.1969 8.5045 8.5045 9.3386 9.3386 9.7813 9.7813 10.2837 10.2837 12.6047 12.6047 14.3162 14.3162 15.0828 15.0828 k = 0.1357 0.3395 0.7352 ( 3264 PWs) bands (ev): -24.4089 -24.4089 -7.2827 -7.2827 -6.1816 -6.1816 -6.1344 -6.1344 0.6358 0.6358 2.1914 2.1914 4.3286 4.3286 4.4224 4.4224 5.1641 5.1641 5.2435 5.2435 5.4747 5.4747 5.8941 5.8941 6.3838 6.3838 6.6302 6.6302 6.7243 6.7243 6.8645 6.8645 7.2282 7.2282 8.5091 8.5091 9.2745 9.2745 9.6812 9.6812 10.1855 10.1855 12.6150 12.6150 14.4002 14.4002 15.0223 15.0223 k = 0.1429 0.3279 0.7488 ( 3266 PWs) bands (ev): -24.4088 -24.4088 -7.2832 -7.2832 -6.1816 -6.1816 -6.1357 -6.1357 0.6415 0.6415 2.2197 2.2197 4.3038 4.3038 4.3922 4.3922 5.1778 5.1778 5.2562 5.2562 5.4758 5.4758 5.8920 5.8920 6.3976 6.3976 6.6409 6.6409 6.7400 6.7400 6.8818 6.8818 7.2627 7.2627 8.5113 8.5113 9.2123 9.2123 9.5895 9.5895 10.0895 10.0895 12.6222 12.6222 14.4827 14.4827 14.9693 14.9693 k = 0.1500 0.3163 0.7624 ( 3266 PWs) bands (ev): -24.4087 -24.4087 -7.2837 -7.2837 -6.1816 -6.1816 -6.1368 -6.1368 0.6470 0.6470 2.2480 2.2480 4.2798 4.2798 4.3631 4.3631 5.1914 5.1914 5.2703 5.2703 5.4764 5.4764 5.8889 5.8889 6.4094 6.4094 6.6478 6.6478 6.7572 6.7572 6.8988 6.8988 7.2999 7.2999 8.5105 8.5105 9.1519 9.1519 9.5071 9.5071 9.9963 9.9963 12.6260 12.6260 14.5635 14.5635 14.9253 14.9253 k = 0.1571 0.3047 0.7761 ( 3264 PWs) bands (ev): -24.4086 -24.4086 -7.2842 -7.2842 -6.1818 -6.1818 -6.1378 -6.1378 0.6524 0.6524 2.2761 2.2761 4.2567 4.2567 4.3353 4.3353 5.2051 5.2051 5.2860 5.2860 5.4766 5.4766 5.8846 5.8846 6.4193 6.4193 6.6513 6.6513 6.7757 6.7757 6.9152 6.9152 7.3395 7.3395 8.5065 8.5065 9.0925 9.0925 9.4349 9.4349 9.9065 9.9065 12.6262 12.6262 14.6421 14.6421 14.8919 14.8919 k = 0.1643 0.2932 0.7897 ( 3258 PWs) bands (ev): -24.4085 -24.4085 -7.2847 -7.2847 -6.1821 -6.1821 -6.1386 -6.1386 0.6577 0.6577 2.3035 2.3035 4.2347 4.2347 4.3089 4.3089 5.2186 5.2186 5.3032 5.3032 5.4764 5.4764 5.8789 5.8789 6.4276 6.4276 6.6518 6.6518 6.7949 6.7949 6.9306 6.9306 7.3813 7.3813 8.4992 8.4992 9.0336 9.0336 9.3740 9.3740 9.8205 9.8205 12.6228 12.6228 14.7173 14.7173 14.8706 14.8706 k = 0.1714 0.2816 0.8033 ( 3260 PWs) bands (ev): -24.4084 -24.4084 -7.2851 -7.2851 -6.1825 -6.1825 -6.1393 -6.1393 0.6626 0.6626 2.3302 2.3302 4.2140 4.2140 4.2840 4.2840 5.2321 5.2321 5.3218 5.3218 5.4758 5.4758 5.8715 5.8715 6.4342 6.4342 6.6502 6.6502 6.8146 6.8146 6.9449 6.9449 7.4248 7.4248 8.4888 8.4888 8.9742 8.9742 9.3247 9.3247 9.7391 9.7391 12.6157 12.6157 14.7848 14.7848 14.8662 14.8662 k = 0.1786 0.2700 0.8169 ( 3264 PWs) bands (ev): -24.4083 -24.4083 -7.2856 -7.2856 -6.1829 -6.1829 -6.1398 -6.1398 0.6673 0.6673 2.3558 2.3558 4.1947 4.1947 4.2607 4.2607 5.2454 5.2454 5.3415 5.3415 5.4750 5.4750 5.8621 5.8621 6.4396 6.4396 6.6470 6.6470 6.8341 6.8341 6.9578 6.9578 7.4698 7.4698 8.4758 8.4758 8.9142 8.9142 9.2866 9.2866 9.6628 9.6628 12.6055 12.6055 14.8264 14.8264 14.8969 14.8969 k = 0.1857 0.2584 0.8305 ( 3266 PWs) bands (ev): -24.4082 -24.4082 -7.2860 -7.2860 -6.1834 -6.1834 -6.1402 -6.1402 0.6717 0.6717 2.3801 2.3801 4.1768 4.1768 4.2390 4.2390 5.2586 5.2586 5.3619 5.3619 5.4744 5.4744 5.8506 5.8506 6.4438 6.4438 6.6428 6.6428 6.8533 6.8533 6.9691 6.9691 7.5159 7.5159 8.4609 8.4609 8.8537 8.8537 9.2585 9.2585 9.5923 9.5923 12.5927 12.5927 14.8462 14.8462 14.9584 14.9584 k = 0.1929 0.2468 0.8441 ( 3266 PWs) bands (ev): -24.4081 -24.4081 -7.2864 -7.2864 -6.1840 -6.1840 -6.1405 -6.1405 0.6758 0.6758 2.4028 2.4028 4.1606 4.1606 4.2192 4.2192 5.2716 5.2716 5.3820 5.3820 5.4750 5.4750 5.8368 5.8368 6.4469 6.4469 6.6380 6.6380 6.8719 6.8719 6.9788 6.9788 7.5627 7.5627 8.4449 8.4449 8.7935 8.7935 9.2386 9.2386 9.5282 9.5282 12.5779 12.5779 14.8686 14.8686 15.0258 15.0258 k = 0.2000 0.2352 0.8578 ( 3268 PWs) bands (ev): -24.4080 -24.4080 -7.2867 -7.2867 -6.1845 -6.1845 -6.1407 -6.1407 0.6795 0.6795 2.4235 2.4235 4.1460 4.1460 4.2013 4.2013 5.2843 5.2843 5.3998 5.3998 5.4786 5.4786 5.8205 5.8205 6.4493 6.4493 6.6329 6.6329 6.8896 6.8896 6.9866 6.9866 7.6095 7.6095 8.4285 8.4285 8.7346 8.7346 9.2249 9.2249 9.4712 9.4712 12.5620 12.5620 14.8992 14.8992 15.0930 15.0930 k = 0.2071 0.2236 0.8714 ( 3266 PWs) bands (ev): -24.4080 -24.4080 -7.2870 -7.2870 -6.1851 -6.1851 -6.1408 -6.1408 0.6827 0.6827 2.4422 2.4422 4.1333 4.1333 4.1854 4.1854 5.2966 5.2966 5.4123 5.4123 5.4882 5.4882 5.8017 5.8017 6.4510 6.4510 6.6279 6.6279 6.9062 6.9062 6.9926 6.9926 7.6558 7.6558 8.4123 8.4123 8.6781 8.6781 9.2152 9.2152 9.4221 9.4221 12.5460 12.5460 14.9383 14.9383 15.1585 15.1585 k = 0.2143 0.2120 0.8850 ( 3268 PWs) bands (ev): -24.4079 -24.4079 -7.2873 -7.2873 -6.1855 -6.1855 -6.1409 -6.1409 0.6855 0.6855 2.4584 2.4584 4.1224 4.1224 4.1717 4.1717 5.3083 5.3083 5.4179 5.4179 5.5054 5.5054 5.7805 5.7805 6.4521 6.4521 6.6234 6.6234 6.9217 6.9217 6.9967 6.9967 7.7005 7.7005 8.3968 8.3968 8.6256 8.6256 9.2077 9.2077 9.3815 9.3815 12.5306 12.5306 14.9856 14.9856 15.2212 15.2212 k = 0.2214 0.2004 0.8986 ( 3266 PWs) bands (ev): -24.4079 -24.4079 -7.2875 -7.2875 -6.1860 -6.1860 -6.1409 -6.1409 0.6878 0.6878 2.4721 2.4721 4.1135 4.1135 4.1603 4.1603 5.3191 5.3191 5.4183 5.4183 5.5285 5.5285 5.7571 5.7571 6.4529 6.4529 6.6194 6.6194 6.9356 6.9356 6.9989 6.9989 7.7423 7.7423 8.3821 8.3821 8.5787 8.5787 9.2011 9.2011 9.3500 9.3500 12.5168 12.5168 15.0402 15.0402 15.2801 15.2801 k = 0.2286 0.1888 0.9122 ( 3270 PWs) bands (ev): -24.4078 -24.4078 -7.2877 -7.2877 -6.1863 -6.1863 -6.1409 -6.1409 0.6896 0.6896 2.4829 2.4829 4.1065 4.1065 4.1513 4.1513 5.3288 5.3288 5.4158 5.4158 5.5550 5.5550 5.7318 5.7318 6.4534 6.4534 6.6162 6.6162 6.9478 6.9478 6.9995 6.9995 7.7792 7.7792 8.3684 8.3684 8.5397 8.5397 9.1946 9.1946 9.3275 9.3275 12.5052 12.5052 15.1012 15.1012 15.3332 15.3332 k = 0.2357 0.1772 0.9258 ( 3266 PWs) bands (ev): -24.4078 -24.4078 -7.2878 -7.2878 -6.1866 -6.1866 -6.1409 -6.1409 0.6910 0.6910 2.4907 2.4907 4.1014 4.1014 4.1448 4.1448 5.3368 5.3368 5.4124 5.4124 5.5831 5.5831 5.7051 5.7051 6.4537 6.4537 6.6138 6.6138 6.9578 6.9578 6.9987 6.9987 7.8089 7.8089 8.3565 8.3565 8.5105 8.5105 9.1887 9.1887 9.3131 9.3131 12.4965 12.4965 15.1663 15.1663 15.3772 15.3772 k = 0.2429 0.1657 0.9394 ( 3272 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1867 -6.1867 -6.1409 -6.1409 0.6918 0.6918 2.4955 2.4955 4.0984 4.0984 4.1409 4.1409 5.3423 5.3423 5.4096 5.4096 5.6109 5.6109 5.6784 5.6784 6.4538 6.4538 6.6124 6.6124 6.9648 6.9648 6.9973 6.9973 7.8284 7.8284 8.3479 8.3479 8.4927 8.4927 9.1844 9.1844 9.3053 9.3053 12.4910 12.4910 15.2298 15.2298 15.4070 15.4070 k = 0.2500 0.1541 0.9531 ( 3272 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1868 -6.1868 -6.1409 -6.1409 0.6920 0.6920 2.4971 2.4971 4.0974 4.0974 4.1395 4.1395 5.3442 5.3442 5.4085 5.4085 5.6289 5.6289 5.6608 5.6608 6.4538 6.4538 6.6119 6.6119 6.9674 6.9674 6.9965 6.9965 7.8353 7.8353 8.3447 8.3447 8.4867 8.4867 9.1828 9.1828 9.3029 9.3029 12.4892 12.4892 15.2648 15.2648 15.4122 15.4122 k = 0.2500 0.1541 0.9531 ( 3272 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1868 -6.1868 -6.1409 -6.1409 0.6920 0.6920 2.4971 2.4971 4.0974 4.0974 4.1395 4.1395 5.3442 5.3442 5.4085 5.4085 5.6289 5.6289 5.6608 5.6608 6.4538 6.4538 6.6119 6.6119 6.9674 6.9674 6.9965 6.9965 7.8353 7.8353 8.3447 8.3447 8.4867 8.4867 9.1828 9.1828 9.3029 9.3029 12.4892 12.4892 15.2648 15.2648 15.4122 15.4122 k = 0.2639 0.1626 0.9430 ( 3274 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1867 -6.1867 -6.1409 -6.1409 0.6920 0.6920 2.4966 2.4966 4.0979 4.0979 4.1398 4.1398 5.3434 5.3434 5.4089 5.4089 5.6226 5.6226 5.6670 5.6670 6.4542 6.4542 6.6127 6.6127 6.9669 6.9669 6.9967 6.9967 7.8317 7.8317 8.3450 8.3450 8.4888 8.4888 9.1680 9.1680 9.3199 9.3199 12.4931 12.4931 15.2543 15.2543 15.2982 15.2982 k = 0.2778 0.1712 0.9330 ( 3275 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1867 -6.1867 -6.1409 -6.1409 0.6918 0.6918 2.4950 2.4950 4.0991 4.0991 4.1407 4.1407 5.3411 5.3411 5.4099 5.4099 5.6107 5.6107 5.6789 5.6789 6.4551 6.4551 6.6150 6.6150 6.9653 6.9653 6.9973 6.9973 7.8218 7.8218 8.3453 8.3453 8.4949 8.4949 9.1387 9.1387 9.3561 9.3561 12.5045 12.5045 15.1716 15.1716 15.2429 15.2429 k = 0.2917 0.1797 0.9229 ( 3269 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1866 -6.1866 -6.1410 -6.1410 0.6917 0.6917 2.4922 2.4922 4.1011 4.1011 4.1424 4.1424 5.3375 5.3375 5.4113 5.4113 5.5979 5.5979 5.6916 5.6916 6.4566 6.4566 6.6187 6.6187 6.9629 6.9629 6.9980 6.9980 7.8068 7.8068 8.3442 8.3442 8.5047 8.5047 9.1064 9.1064 9.4004 9.4004 12.5232 12.5232 15.0532 15.0532 15.2239 15.2239 k = 0.3056 0.1883 0.9128 ( 3269 PWs) bands (ev): -24.4078 -24.4078 -7.2878 -7.2878 -6.1865 -6.1865 -6.1410 -6.1410 0.6916 0.6916 2.4880 2.4880 4.1040 4.1040 4.1449 4.1449 5.3328 5.3328 5.4127 5.4127 5.5858 5.5858 5.7038 5.7038 6.4586 6.4586 6.6233 6.6233 6.9598 6.9598 6.9987 6.9987 7.7878 7.7878 8.3414 8.3414 8.5174 8.5174 9.0757 9.0757 9.4491 9.4491 12.5486 12.5486 14.9380 14.9380 15.2050 15.2050 k = 0.3194 0.1969 0.9028 ( 3268 PWs) bands (ev): -24.4078 -24.4078 -7.2877 -7.2877 -6.1864 -6.1864 -6.1410 -6.1410 0.6915 0.6915 2.4821 2.4821 4.1078 4.1078 4.1483 4.1483 5.3272 5.3272 5.4141 5.4141 5.5746 5.5746 5.7152 5.7152 6.4612 6.4612 6.6287 6.6287 6.9561 6.9561 6.9993 6.9993 7.7658 7.7658 8.3371 8.3371 8.5320 8.5320 9.0483 9.0483 9.5005 9.5005 12.5803 12.5803 14.8270 14.8270 15.1867 15.1867 k = 0.3333 0.2054 0.8927 ( 3266 PWs) bands (ev): -24.4078 -24.4078 -7.2877 -7.2877 -6.1862 -6.1862 -6.1410 -6.1410 0.6917 0.6917 2.4746 2.4746 4.1127 4.1127 4.1526 4.1526 5.3208 5.3208 5.4154 5.4154 5.5646 5.5646 5.7255 5.7255 6.4641 6.4641 6.6343 6.6343 6.9519 6.9519 6.9998 6.9998 7.7413 7.7413 8.3316 8.3316 8.5476 8.5476 9.0254 9.0254 9.5539 9.5539 12.6175 12.6175 14.7209 14.7209 15.1696 15.1696 k = 0.3472 0.2140 0.8827 ( 3270 PWs) bands (ev): -24.4078 -24.4078 -7.2876 -7.2876 -6.1860 -6.1860 -6.1411 -6.1411 0.6920 0.6920 2.4652 2.4652 4.1186 4.1186 4.1580 4.1580 5.3139 5.3139 5.4163 5.4163 5.5559 5.5559 5.7348 5.7348 6.4676 6.4676 6.6398 6.6398 6.9472 6.9472 7.0001 7.0001 7.7148 7.7148 8.3258 8.3258 8.5637 8.5637 9.0071 9.0071 9.6086 9.6086 12.6595 12.6595 14.6204 14.6204 15.1540 15.1540 k = 0.3611 0.2225 0.8726 ( 3268 PWs) bands (ev): -24.4079 -24.4079 -7.2875 -7.2875 -6.1858 -6.1858 -6.1411 -6.1411 0.6925 0.6925 2.4541 2.4541 4.1256 4.1256 4.1642 4.1642 5.3064 5.3064 5.4170 5.4170 5.5486 5.5486 5.7429 5.7429 6.4714 6.4714 6.6447 6.6447 6.9421 6.9421 7.0001 7.0001 7.6867 7.6867 8.3202 8.3202 8.5804 8.5804 8.9936 8.9936 9.6642 9.6642 12.7054 12.7054 14.5259 14.5259 15.1403 15.1403 k = 0.3750 0.2311 0.8626 ( 3270 PWs) bands (ev): -24.4079 -24.4079 -7.2874 -7.2874 -6.1855 -6.1855 -6.1412 -6.1412 0.6932 0.6932 2.4410 2.4410 4.1336 4.1336 4.1715 4.1715 5.2985 5.2985 5.4173 5.4173 5.5424 5.5424 5.7502 5.7502 6.4755 6.4755 6.6487 6.6487 6.9366 6.9366 6.9999 6.9999 7.6572 7.6572 8.3154 8.3154 8.5979 8.5979 8.9843 8.9843 9.7202 9.7202 12.7541 12.7541 14.4380 14.4380 15.1285 15.1285 k = 0.3889 0.2396 0.8525 ( 3274 PWs) bands (ev): -24.4079 -24.4079 -7.2872 -7.2872 -6.1852 -6.1852 -6.1412 -6.1412 0.6942 0.6942 2.4262 2.4262 4.1426 4.1426 4.1797 4.1797 5.2904 5.2904 5.4172 5.4172 5.5373 5.5373 5.7566 5.7566 6.4800 6.4800 6.6514 6.6514 6.9308 6.9308 6.9994 6.9994 7.6268 7.6268 8.3118 8.3118 8.6170 8.6170 8.9788 8.9788 9.7760 9.7760 12.8047 12.8047 14.3572 14.3572 15.1186 15.1186 k = 0.4028 0.2482 0.8425 ( 3279 PWs) bands (ev): -24.4080 -24.4080 -7.2871 -7.2871 -6.1849 -6.1849 -6.1413 -6.1413 0.6955 0.6955 2.4096 2.4096 4.1525 4.1525 4.1889 4.1889 5.2820 5.2820 5.4167 5.4167 5.5331 5.5331 5.7623 5.7623 6.4847 6.4847 6.6524 6.6524 6.9244 6.9244 6.9985 6.9985 7.5958 7.5958 8.3097 8.3097 8.6384 8.6384 8.9763 8.9763 9.8312 9.8312 12.8557 12.8557 14.2840 14.2840 15.1104 15.1104 k = 0.4167 0.2568 0.8324 ( 3275 PWs) bands (ev): -24.4080 -24.4080 -7.2870 -7.2870 -6.1845 -6.1845 -6.1414 -6.1414 0.6969 0.6969 2.3915 2.3915 4.1632 4.1632 4.1989 4.1989 5.2736 5.2736 5.4158 5.4158 5.5296 5.5296 5.7676 5.7676 6.4896 6.4896 6.6515 6.6515 6.9175 6.9175 6.9975 6.9975 7.5648 7.5648 8.3090 8.3090 8.6631 8.6631 8.9761 8.9761 9.8852 9.8852 12.9058 12.9058 14.2189 14.2189 15.1037 15.1037 k = 0.4306 0.2653 0.8224 ( 3281 PWs) bands (ev): -24.4080 -24.4080 -7.2868 -7.2868 -6.1841 -6.1841 -6.1415 -6.1415 0.6985 0.6985 2.3719 2.3719 4.1747 4.1747 4.2098 4.2098 5.2651 5.2651 5.4144 5.4144 5.5266 5.5266 5.7727 5.7727 6.4946 6.4946 6.6486 6.6486 6.9099 6.9099 6.9963 6.9963 7.5345 7.5345 8.3095 8.3095 8.6919 8.6919 8.9776 8.9776 9.9375 9.9375 12.9533 12.9533 14.1625 14.1625 15.0983 15.0983 k = 0.4444 0.2739 0.8123 ( 3279 PWs) bands (ev): -24.4081 -24.4081 -7.2866 -7.2866 -6.1837 -6.1837 -6.1416 -6.1416 0.7003 0.7003 2.3510 2.3510 4.1867 4.1867 4.2216 4.2216 5.2566 5.2566 5.4124 5.4124 5.5239 5.5239 5.7777 5.7777 6.4997 6.4997 6.6437 6.6437 6.9015 6.9015 6.9951 6.9951 7.5054 7.5054 8.3110 8.3110 8.7252 8.7252 8.9804 8.9804 9.9874 9.9874 12.9966 12.9966 14.1152 14.1152 15.0941 15.0941 k = 0.4583 0.2824 0.8023 ( 3278 PWs) bands (ev): -24.4081 -24.4081 -7.2864 -7.2864 -6.1832 -6.1832 -6.1417 -6.1417 0.7022 0.7022 2.3292 2.3292 4.1990 4.1990 4.2342 4.2342 5.2482 5.2482 5.4099 5.4099 5.5214 5.5214 5.7828 5.7828 6.5046 6.5046 6.6369 6.6369 6.8920 6.8920 6.9938 6.9938 7.4786 7.4786 8.3129 8.3129 8.7631 8.7631 8.9846 8.9846 10.0345 10.0345 13.0340 13.0340 14.0775 14.0775 15.0916 15.0916 k = 0.4722 0.2910 0.7922 ( 3280 PWs) bands (ev): -24.4081 -24.4081 -7.2862 -7.2862 -6.1827 -6.1827 -6.1418 -6.1418 0.7040 0.7040 2.3066 2.3066 4.2113 4.2113 4.2477 4.2477 5.2399 5.2399 5.4067 5.4067 5.5190 5.5190 5.7881 5.7881 6.5092 6.5092 6.6284 6.6284 6.8814 6.8814 6.9926 6.9926 7.4547 7.4547 8.3150 8.3150 8.8051 8.8051 8.9908 8.9908 10.0781 10.0781 13.0638 13.0638 14.0497 14.0497 15.0915 15.0915 k = 0.4861 0.2996 0.7821 ( 3282 PWs) bands (ev): -24.4082 -24.4082 -7.2860 -7.2860 -6.1822 -6.1822 -6.1419 -6.1419 0.7058 0.7058 2.2835 2.2835 4.2234 4.2234 4.2622 4.2622 5.2317 5.2317 5.4027 5.4027 5.5167 5.5167 5.7937 5.7937 6.5132 6.5132 6.6185 6.6185 6.8697 6.8697 6.9914 6.9914 7.4345 7.4345 8.3170 8.3170 8.8486 8.8486 9.0011 9.0011 10.1178 10.1178 13.0844 13.0844 14.0323 14.0323 15.0951 15.0951 k = 0.5000 0.3081 0.7721 ( 3280 PWs) bands (ev): -24.4082 -24.4082 -7.2858 -7.2858 -6.1816 -6.1816 -6.1420 -6.1420 0.7073 0.7073 2.2602 2.2602 4.2350 4.2350 4.2777 4.2777 5.2236 5.2236 5.3977 5.3977 5.5143 5.5143 5.7996 5.7996 6.5162 6.5162 6.6079 6.6079 6.8570 6.8570 6.9901 6.9901 7.4187 7.4187 8.3186 8.3186 8.8880 8.8880 9.0210 9.0210 10.1532 10.1532 13.0949 13.0949 14.0254 14.0254 15.1036 15.1036 k = 0.5000 0.3081 0.7721 ( 3280 PWs) bands (ev): -24.4082 -24.4082 -7.2858 -7.2858 -6.1816 -6.1816 -6.1420 -6.1420 0.7073 0.7073 2.2602 2.2602 4.2350 4.2350 4.2777 4.2777 5.2236 5.2236 5.3977 5.3977 5.5143 5.5143 5.7996 5.7996 6.5162 6.5162 6.6079 6.6079 6.8570 6.8570 6.9901 6.9901 7.4187 7.4187 8.3186 8.3186 8.8880 8.8880 9.0210 9.0210 10.1532 10.1532 13.0949 13.0949 14.0254 14.0254 15.1036 15.1036 k = 0.5000 0.3081 0.7528 ( 3278 PWs) bands (ev): -24.4083 -24.4083 -7.2853 -7.2853 -6.1804 -6.1804 -6.1423 -6.1423 0.7099 0.7099 2.2142 2.2142 4.2567 4.2567 4.3100 4.3100 5.2079 5.2079 5.3860 5.3860 5.5110 5.5110 5.8104 5.8104 6.5194 6.5194 6.5883 6.5883 6.8317 6.8317 6.9874 6.9874 7.3932 7.3932 8.3219 8.3219 8.9568 8.9568 9.0759 9.0759 10.2193 10.2193 13.1052 13.1052 14.0223 14.0223 15.1066 15.1066 k = 0.5000 0.3081 0.7335 ( 3270 PWs) bands (ev): -24.4084 -24.4084 -7.2848 -7.2848 -6.1792 -6.1792 -6.1425 -6.1425 0.7124 0.7124 2.1659 2.1659 4.2784 4.2784 4.3450 4.3450 5.1917 5.1917 5.3723 5.3723 5.5095 5.5095 5.8195 5.8195 6.5180 6.5180 6.5727 6.5727 6.8068 6.8068 6.9847 6.9847 7.3683 7.3683 8.3262 8.3262 9.0299 9.0299 9.1359 9.1359 10.2902 10.2902 13.1168 13.1168 14.0191 14.0191 15.0716 15.0716 k = 0.5000 0.3081 0.7142 ( 3270 PWs) bands (ev): -24.4085 -24.4085 -7.2842 -7.2842 -6.1778 -6.1778 -6.1428 -6.1428 0.7147 0.7147 2.1157 2.1157 4.3000 4.3000 4.3823 4.3823 5.1755 5.1755 5.3571 5.3571 5.5092 5.5092 5.8267 5.8267 6.5093 6.5093 6.5638 6.5638 6.7828 6.7828 6.9820 6.9820 7.3451 7.3451 8.3314 8.3314 9.1071 9.1071 9.2005 9.2005 10.3656 10.3656 13.1297 13.1297 14.0158 14.0158 15.0093 15.0093 k = 0.5000 0.3081 0.6949 ( 3274 PWs) bands (ev): -24.4087 -24.4087 -7.2836 -7.2836 -6.1763 -6.1763 -6.1430 -6.1430 0.7167 0.7167 2.0640 2.0640 4.3211 4.3211 4.4214 4.4214 5.1596 5.1596 5.3408 5.3408 5.5096 5.5096 5.8316 5.8316 6.4948 6.4948 6.5601 6.5601 6.7605 6.7605 6.9794 6.9794 7.3246 7.3246 8.3373 8.3373 9.1882 9.1882 9.2696 9.2696 10.4452 10.4452 13.1439 13.1439 14.0123 14.0123 14.9313 14.9313 k = 0.5000 0.3081 0.6756 ( 3272 PWs) bands (ev): -24.4088 -24.4088 -7.2830 -7.2830 -6.1747 -6.1747 -6.1433 -6.1433 0.7183 0.7183 2.0111 2.0111 4.3418 4.3418 4.4617 4.4617 5.1446 5.1446 5.3236 5.3236 5.5105 5.5105 5.8340 5.8340 6.4781 6.4781 6.5577 6.5577 6.7402 6.7402 6.9769 6.9769 7.3082 7.3082 8.3440 8.3440 9.2729 9.2729 9.3429 9.3429 10.5286 10.5286 13.1596 13.1596 14.0085 14.0085 14.8443 14.8443 k = 0.5000 0.3081 0.6563 ( 3270 PWs) bands (ev): -24.4089 -24.4089 -7.2823 -7.2823 -6.1730 -6.1730 -6.1435 -6.1435 0.7195 0.7195 1.9573 1.9573 4.3618 4.3618 4.5023 4.5023 5.1311 5.1311 5.3056 5.3056 5.5118 5.5118 5.8336 5.8336 6.4618 6.4618 6.5542 6.5542 6.7222 6.7222 6.9747 6.9747 7.2967 7.2967 8.3514 8.3514 9.3607 9.3607 9.4202 9.4202 10.6157 10.6157 13.1769 13.1769 14.0041 14.0041 14.7522 14.7522 k = 0.5000 0.3081 0.6370 ( 3278 PWs) bands (ev): -24.4091 -24.4091 -7.2816 -7.2816 -6.1712 -6.1712 -6.1438 -6.1438 0.7202 0.7202 1.9030 1.9030 4.3810 4.3810 4.5424 4.5424 5.1196 5.1196 5.2870 5.2870 5.5134 5.5134 5.8303 5.8303 6.4470 6.4470 6.5487 6.5487 6.7066 6.7066 6.9729 6.9729 7.2913 7.2913 8.3592 8.3592 9.4513 9.4513 9.5011 9.5011 10.7060 10.7060 13.1957 13.1957 13.9988 13.9988 14.6575 14.6575 k = 0.5000 0.3081 0.6177 ( 3274 PWs) bands (ev): -24.4092 -24.4092 -7.2808 -7.2808 -6.1693 -6.1693 -6.1440 -6.1440 0.7202 0.7202 1.8484 1.8484 4.3994 4.3994 4.5805 4.5805 5.1111 5.1111 5.2678 5.2678 5.5157 5.5157 5.8242 5.8242 6.4343 6.4343 6.5412 6.5412 6.6931 6.6931 6.9715 6.9715 7.2926 7.2926 8.3676 8.3676 9.5444 9.5444 9.5855 9.5855 10.7995 10.7995 13.2164 13.2164 13.9921 13.9921 14.5616 14.5616 k = 0.5000 0.3081 0.5984 ( 3254 PWs) bands (ev): -24.4094 -24.4094 -7.2800 -7.2800 -6.1673 -6.1673 -6.1442 -6.1442 0.7196 0.7196 1.7937 1.7937 4.4168 4.4168 4.6152 4.6152 5.1061 5.1061 5.2482 5.2482 5.5190 5.5190 5.8152 5.8152 6.4240 6.4240 6.5321 6.5321 6.6813 6.6813 6.9708 6.9708 7.3010 7.3010 8.3764 8.3764 9.6393 9.6393 9.6732 9.6732 10.8959 10.8959 13.2389 13.2389 13.9829 13.9829 14.4658 14.4658 k = 0.5000 0.3081 0.5791 ( 3252 PWs) bands (ev): -24.4095 -24.4095 -7.2791 -7.2791 -6.1652 -6.1652 -6.1445 -6.1445 0.7182 0.7182 1.7392 1.7392 4.4333 4.4333 4.6449 4.6449 5.1052 5.1052 5.2286 5.2286 5.5238 5.5238 5.8036 5.8036 6.4162 6.4162 6.5218 6.5218 6.6709 6.6709 6.9708 6.9708 7.3168 7.3168 8.3856 8.3856 9.7354 9.7354 9.7642 9.7642 10.9949 10.9949 13.2634 13.2634 13.9696 13.9696 14.3711 14.3711 k = 0.5000 0.3081 0.5598 ( 3252 PWs) bands (ev): -24.4097 -24.4097 -7.2783 -7.2783 -6.1631 -6.1631 -6.1446 -6.1446 0.7161 0.7161 1.6850 1.6850 4.4488 4.4488 4.6682 4.6682 5.1080 5.1080 5.2096 5.2096 5.5311 5.5311 5.7899 5.7899 6.4111 6.4111 6.5112 6.5112 6.6615 6.6615 6.9719 6.9719 7.3396 7.3396 8.3952 8.3952 9.8319 9.8319 9.8586 9.8586 11.0964 11.0964 13.2900 13.2900 13.9497 13.9497 14.2784 14.2784 k = 0.5000 0.3081 0.5405 ( 3264 PWs) bands (ev): -24.4099 -24.4099 -7.2774 -7.2774 -6.1609 -6.1609 -6.1448 -6.1448 0.7131 0.7131 1.6313 1.6313 4.4633 4.4633 4.6842 4.6842 5.1123 5.1123 5.1930 5.1930 5.5417 5.5417 5.7747 5.7747 6.4084 6.4084 6.5005 6.5005 6.6532 6.6532 6.9742 6.9742 7.3693 7.3693 8.4051 8.4051 9.9282 9.9282 9.9561 9.9561 11.2002 11.2002 13.3189 13.3189 13.9194 13.9194 14.1888 14.1888 k = 0.5000 0.3081 0.5212 ( 3260 PWs) bands (ev): -24.4100 -24.4100 -7.2765 -7.2765 -6.1587 -6.1587 -6.1448 -6.1448 0.7092 0.7092 1.5783 1.5783 4.4767 4.4767 4.6931 4.6931 5.1128 5.1128 5.1824 5.1824 5.5563 5.5563 5.7591 5.7591 6.4080 6.4080 6.4903 6.4903 6.6460 6.6460 6.9779 6.9779 7.4053 7.4053 8.4153 8.4153 10.0242 10.0242 10.0561 10.0561 11.3061 11.3061 13.3502 13.3502 13.8736 13.8736 14.1031 14.1031 k = 0.5000 0.3081 0.5019 ( 3260 PWs) bands (ev): -24.4102 -24.4102 -7.2755 -7.2755 -6.1566 -6.1566 -6.1448 -6.1448 0.7045 0.7045 1.5261 1.5261 4.4891 4.4891 4.6954 4.6954 5.1041 5.1041 5.1813 5.1813 5.5751 5.5751 5.7447 5.7447 6.4097 6.4097 6.4811 6.4811 6.6399 6.6399 6.9833 6.9833 7.4471 7.4471 8.4258 8.4258 10.1200 10.1200 10.1575 10.1575 11.4140 11.4140 13.3840 13.3840 13.8073 13.8073 14.0218 14.0218 k = 0.5000 0.3081 0.4826 ( 3260 PWs) bands (ev): -24.4104 -24.4104 -7.2745 -7.2745 -6.1545 -6.1545 -6.1446 -6.1446 0.6990 0.6990 1.4750 1.4750 4.5003 4.5003 4.6923 4.6923 5.0873 5.0873 5.1866 5.1866 5.5957 5.5957 5.7351 5.7351 6.4128 6.4128 6.4737 6.4737 6.6349 6.6349 6.9905 6.9905 7.4943 7.4943 8.4367 8.4367 10.2153 10.2153 10.2595 10.2595 11.5236 11.5236 13.4202 13.4202 13.7187 13.7187 13.9450 13.9450 k = 0.5000 0.3081 0.4633 ( 3258 PWs) bands (ev): -24.4105 -24.4105 -7.2736 -7.2736 -6.1526 -6.1526 -6.1442 -6.1442 0.6926 0.6926 1.4249 1.4249 4.5103 4.5103 4.6851 4.6851 5.0662 5.0662 5.1928 5.1928 5.6115 5.6115 5.7372 5.7372 6.4164 6.4164 6.4694 6.4694 6.6309 6.6309 6.9996 6.9996 7.5464 7.5464 8.4479 8.4479 10.3100 10.3100 10.3614 10.3614 11.6349 11.6349 13.4588 13.4588 13.6100 13.6100 13.8730 13.8730 k = 0.5000 0.3081 0.4440 ( 3266 PWs) bands (ev): -24.4107 -24.4107 -7.2726 -7.2726 -6.1510 -6.1510 -6.1433 -6.1433 0.6854 0.6854 1.3761 1.3761 4.5190 4.5190 4.6750 4.6750 5.0433 5.0433 5.1971 5.1971 5.6147 5.6147 5.7586 5.7586 6.4189 6.4189 6.4700 6.4700 6.6280 6.6280 7.0108 7.0108 7.6030 7.6030 8.4595 8.4595 10.4033 10.4033 10.4625 10.4625 11.7477 11.7477 13.4857 13.4857 13.4993 13.4993 13.8073 13.8073 k = 0.5000 0.3081 0.4247 ( 3262 PWs) bands (ev): -24.4109 -24.4109 -7.2716 -7.2716 -6.1500 -6.1500 -6.1419 -6.1419 0.6775 0.6775 1.3286 1.3286 4.5262 4.5262 4.6629 4.6629 5.0195 5.0195 5.1988 5.1988 5.6061 5.6061 5.7970 5.7970 6.4189 6.4189 6.4769 6.4769 6.6262 6.6262 7.0242 7.0242 7.6637 7.6637 8.4715 8.4715 10.4947 10.4947 10.5625 10.5625 11.8617 11.8617 13.3501 13.3501 13.5401 13.5401 13.7507 13.7507 k = 0.5000 0.3081 0.4053 ( 3266 PWs) bands (ev): -24.4110 -24.4110 -7.2706 -7.2706 -6.1494 -6.1494 -6.1400 -6.1400 0.6689 0.6689 1.2826 1.2826 4.5315 4.5315 4.6500 4.6500 4.9954 4.9954 5.1979 5.1979 5.5916 5.5916 5.8452 5.8452 6.4169 6.4169 6.4896 6.4896 6.6259 6.6259 7.0398 7.0398 7.7282 7.7282 8.4840 8.4840 10.5834 10.5834 10.6606 10.6606 11.9768 11.9768 13.2069 13.2069 13.5755 13.5755 13.7100 13.7100 k = 0.5000 0.3081 0.3860 ( 3272 PWs) bands (ev): -24.4112 -24.4112 -7.2696 -7.2696 -6.1491 -6.1491 -6.1378 -6.1378 0.6596 0.6596 1.2382 1.2382 4.5344 4.5344 4.6372 4.6372 4.9713 4.9713 5.1950 5.1950 5.5746 5.5746 5.8977 5.8977 6.4143 6.4143 6.5064 6.5064 6.6280 6.6280 7.0577 7.0577 7.7960 7.7960 8.4970 8.4970 10.6686 10.6686 10.7563 10.7563 12.0929 12.0929 13.0589 13.0589 13.5882 13.5882 13.7032 13.7032 k = 0.5000 0.3081 0.3667 ( 3276 PWs) bands (ev): -24.4114 -24.4114 -7.2687 -7.2687 -6.1489 -6.1489 -6.1355 -6.1355 0.6499 0.6499 1.1954 1.1954 4.5341 4.5341 4.6258 4.6258 4.9475 4.9475 5.1905 5.1905 5.5569 5.5569 5.9512 5.9512 6.4119 6.4119 6.5248 6.5248 6.6344 6.6344 7.0781 7.0781 7.8670 7.8670 8.5106 8.5106 10.7493 10.7493 10.8492 10.8492 12.2097 12.2097 12.9078 12.9078 13.5737 13.5737 13.7354 13.7354 k = 0.5000 0.3081 0.3474 ( 3278 PWs) bands (ev): -24.4115 -24.4115 -7.2677 -7.2677 -6.1488 -6.1488 -6.1331 -6.1331 0.6397 0.6397 1.1543 1.1543 4.5297 4.5297 4.6171 4.6171 4.9241 4.9241 5.1850 5.1850 5.5392 5.5392 6.0032 6.0032 6.4100 6.4100 6.5411 6.5411 6.6485 6.6485 7.1009 7.1009 7.9406 7.9406 8.5250 8.5250 10.8246 10.8246 10.9388 10.9388 12.3269 12.3269 12.7551 12.7551 13.5547 13.5547 13.7839 13.7839 k = 0.5000 0.3081 0.3281 ( 3274 PWs) bands (ev): -24.4117 -24.4117 -7.2667 -7.2667 -6.1488 -6.1488 -6.1306 -6.1306 0.6292 0.6292 1.1150 1.1150 4.5210 4.5210 4.6116 4.6116 4.9014 4.9014 5.1788 5.1788 5.5220 5.5220 6.0521 6.0521 6.4089 6.4089 6.5518 6.5518 6.6735 6.6735 7.1264 7.1264 8.0167 8.0167 8.5403 8.5403 10.8936 10.8936 11.0245 11.0245 12.4437 12.4437 12.6024 12.6024 13.5420 13.5420 13.8375 13.8375 k = 0.5000 0.3081 0.3088 ( 3268 PWs) bands (ev): -24.4118 -24.4118 -7.2658 -7.2658 -6.1488 -6.1488 -6.1281 -6.1281 0.6184 0.6184 1.0777 1.0777 4.5086 4.5086 4.6090 4.6090 4.8794 4.8794 5.1724 5.1724 5.5055 5.5055 6.0968 6.0968 6.4085 6.4085 6.5566 6.5566 6.7089 6.7089 7.1549 7.1549 8.0946 8.0946 8.5566 8.5566 10.9554 10.9554 11.1061 11.1061 12.4455 12.4455 12.5648 12.5648 13.5383 13.5383 13.8916 13.8916 k = 0.5000 0.3081 0.2895 ( 3274 PWs) bands (ev): -24.4120 -24.4120 -7.2649 -7.2649 -6.1489 -6.1489 -6.1257 -6.1257 0.6076 0.6076 1.0422 1.0422 4.4937 4.4937 4.6083 4.6083 4.8583 4.8583 5.1659 5.1659 5.4898 5.4898 6.1370 6.1370 6.4090 6.4090 6.5571 6.5571 6.7519 6.7519 7.1867 7.1867 8.1741 8.1741 8.5742 8.5742 11.0094 11.0094 11.1830 11.1830 12.2940 12.2940 12.6812 12.6812 13.5438 13.5438 13.9415 13.9415 k = 0.5000 0.3081 0.2702 ( 3280 PWs) bands (ev): -24.4121 -24.4121 -7.2641 -7.2641 -6.1489 -6.1489 -6.1233 -6.1233 0.5967 0.5967 1.0088 1.0088 4.4774 4.4774 4.6087 4.6087 4.8382 4.8382 5.1597 5.1597 5.4750 5.4750 6.1727 6.1727 6.4101 6.4101 6.5550 6.5550 6.7990 6.7990 7.2222 7.2222 8.2546 8.2546 8.5933 8.5933 11.0550 11.0550 11.2549 11.2549 12.1428 12.1428 12.7983 12.7983 13.5563 13.5563 13.9764 13.9764 k = 0.5000 0.3081 0.2509 ( 3276 PWs) bands (ev): -24.4122 -24.4122 -7.2632 -7.2632 -6.1489 -6.1489 -6.1210 -6.1210 0.5860 0.5860 0.9774 0.9774 4.4606 4.4606 4.6096 4.6096 4.8191 4.8191 5.1538 5.1538 5.4610 5.4610 6.2043 6.2043 6.4119 6.4119 6.5513 6.5513 6.8472 6.8472 7.2618 7.2618 8.3355 8.3355 8.6143 8.6143 11.0921 11.0921 11.3214 11.3214 11.9939 11.9939 12.9148 12.9148 13.5703 13.5703 13.9716 13.9716 k = 0.5000 0.3081 0.2316 ( 3268 PWs) bands (ev): -24.4123 -24.4123 -7.2625 -7.2625 -6.1490 -6.1490 -6.1188 -6.1188 0.5755 0.5755 0.9482 0.9482 4.4438 4.4438 4.6108 4.6108 4.8011 4.8011 5.1484 5.1484 5.4480 5.4480 6.2324 6.2324 6.4141 6.4141 6.5465 6.5465 6.8942 6.8942 7.3056 7.3056 8.4162 8.4162 8.6375 8.6375 11.1208 11.1208 11.3814 11.3814 11.8486 11.8486 13.0300 13.0300 13.5753 13.5753 13.9451 13.9451 k = 0.5000 0.3081 0.2123 ( 3272 PWs) bands (ev): -24.4125 -24.4125 -7.2617 -7.2617 -6.1490 -6.1490 -6.1167 -6.1167 0.5654 0.5654 0.9211 0.9211 4.4273 4.4273 4.6120 4.6120 4.7843 4.7843 5.1436 5.1436 5.4360 5.4360 6.2575 6.2575 6.4167 6.4167 6.5409 6.5409 6.9379 6.9379 7.3534 7.3534 8.4956 8.4956 8.6637 8.6637 11.1416 11.1416 11.4319 11.4319 11.7106 11.7106 13.1423 13.1423 13.5590 13.5590 13.9421 13.9421 k = 0.5000 0.3081 0.1930 ( 3272 PWs) bands (ev): -24.4126 -24.4126 -7.2610 -7.2610 -6.1490 -6.1490 -6.1147 -6.1147 0.5557 0.5557 0.8962 0.8962 4.4116 4.4116 4.6131 4.6131 4.7686 4.7686 5.1394 5.1394 5.4248 5.4248 6.2801 6.2801 6.4196 6.4196 6.5346 6.5346 6.9772 6.9772 7.4042 7.4042 8.5719 8.5719 8.6940 8.6940 11.1553 11.1553 11.4548 11.4548 11.5987 11.5987 13.2469 13.2469 13.5231 13.5231 13.9746 13.9746 k = 0.5000 0.3081 0.1737 ( 3272 PWs) bands (ev): -24.4127 -24.4127 -7.2604 -7.2604 -6.1490 -6.1490 -6.1129 -6.1129 0.5466 0.5466 0.8736 0.8736 4.3968 4.3968 4.6142 4.6142 4.7542 4.7542 5.1358 5.1358 5.4146 5.4146 6.3007 6.3007 6.4226 6.4226 6.5279 6.5279 7.0117 7.0117 7.4566 7.4566 8.6419 8.6419 8.7311 8.7311 11.1627 11.1627 11.3858 11.3858 11.5781 11.5781 13.3218 13.3218 13.4990 13.4990 14.0349 14.0349 k = 0.5000 0.3081 0.1544 ( 3274 PWs) bands (ev): -24.4127 -24.4127 -7.2598 -7.2598 -6.1491 -6.1491 -6.1112 -6.1112 0.5382 0.5382 0.8532 0.8532 4.3832 4.3832 4.6152 4.6152 4.7411 4.7411 5.1328 5.1328 5.4054 5.4054 6.3195 6.3195 6.4256 6.4256 6.5207 6.5207 7.0415 7.0415 7.5088 7.5088 8.7002 8.7002 8.7794 8.7794 11.1643 11.1643 11.2682 11.2682 11.6070 11.6070 13.3175 13.3175 13.5459 13.5459 14.1126 14.1126 k = 0.5000 0.3081 0.1351 ( 3274 PWs) bands (ev): -24.4128 -24.4128 -7.2593 -7.2593 -6.1491 -6.1491 -6.1097 -6.1097 0.5305 0.5305 0.8352 0.8352 4.3708 4.3708 4.6161 4.6161 4.7292 4.7292 5.1303 5.1303 5.3971 5.3971 6.3368 6.3368 6.4287 6.4287 6.5131 6.5131 7.0668 7.0668 7.5591 7.5591 8.7457 8.7457 8.8387 8.8387 11.1395 11.1395 11.1707 11.1707 11.6400 11.6400 13.2657 13.2657 13.6370 13.6370 14.1366 14.1366 k = 0.5000 0.3081 0.1158 ( 3278 PWs) bands (ev): -24.4129 -24.4129 -7.2589 -7.2589 -6.1491 -6.1491 -6.1084 -6.1084 0.5237 0.5237 0.8195 0.8195 4.3598 4.3598 4.6170 4.6170 4.7187 4.7187 5.1284 5.1284 5.3898 5.3898 6.3528 6.3528 6.4316 6.4316 6.5052 6.5052 7.0879 7.0879 7.6056 7.6056 8.7840 8.7840 8.9015 8.9015 11.0295 11.0295 11.1614 11.1614 11.6704 11.6704 13.2063 13.2063 13.7342 13.7342 14.1240 14.1240 k = 0.5000 0.3081 0.0965 ( 3274 PWs) bands (ev): -24.4130 -24.4130 -7.2585 -7.2585 -6.1491 -6.1491 -6.1072 -6.1072 0.5178 0.5178 0.8062 0.8062 4.3504 4.3504 4.6179 4.6179 4.7096 4.7096 5.1270 5.1270 5.3835 5.3835 6.3674 6.3674 6.4344 6.4344 6.4970 6.4970 7.1053 7.1053 7.6469 7.6469 8.8185 8.8185 8.9622 8.9622 10.9244 10.9244 11.1549 11.1549 11.6967 11.6967 13.1502 13.1502 13.8269 13.8269 14.1108 14.1108 k = 0.5000 0.3081 0.0772 ( 3274 PWs) bands (ev): -24.4130 -24.4130 -7.2581 -7.2581 -6.1491 -6.1491 -6.1063 -6.1063 0.5128 0.5128 0.7953 0.7953 4.3426 4.3426 4.6187 4.6187 4.7020 4.7020 5.1259 5.1259 5.3783 5.3783 6.3807 6.3807 6.4371 6.4371 6.4887 6.4887 7.1192 7.1192 7.6818 7.6818 8.8494 8.8494 9.0174 9.0174 10.8313 10.8313 11.1482 11.1482 11.7184 11.7184 13.1011 13.1011 13.9096 13.9096 14.0987 14.0987 k = 0.5000 0.3081 0.0579 ( 3278 PWs) bands (ev): -24.4130 -24.4130 -7.2579 -7.2579 -6.1491 -6.1491 -6.1055 -6.1055 0.5089 0.5089 0.7868 0.7868 4.3364 4.3364 4.6195 4.6195 4.6959 4.6959 5.1252 5.1252 5.3742 5.3742 6.3923 6.3923 6.4398 6.4398 6.4803 6.4803 7.1298 7.1298 7.7097 7.7097 8.8756 8.8756 9.0644 9.0644 10.7535 10.7535 11.1419 11.1419 11.7354 11.7354 13.0613 13.0613 13.9777 13.9777 14.0896 14.0896 k = 0.5000 0.3081 0.0386 ( 3280 PWs) bands (ev): -24.4131 -24.4131 -7.2577 -7.2577 -6.1491 -6.1491 -6.1050 -6.1050 0.5061 0.5061 0.7808 0.7808 4.3320 4.3320 4.6200 4.6200 4.6914 4.6914 5.1247 5.1247 5.3713 5.3713 6.4018 6.4018 6.4427 6.4427 6.4722 6.4722 7.1373 7.1373 7.7298 7.7298 8.8958 8.8958 9.1006 9.1006 10.6945 10.6945 11.1368 11.1368 11.7476 11.7476 13.0320 13.0320 14.0257 14.0257 14.0860 14.0860 k = 0.5000 0.3081 0.0193 ( 3280 PWs) bands (ev): -24.4131 -24.4131 -7.2576 -7.2576 -6.1491 -6.1491 -6.1047 -6.1047 0.5044 0.5044 0.7771 0.7771 4.3293 4.3293 4.6204 4.6204 4.6887 4.6887 5.1244 5.1244 5.3695 5.3695 6.4081 6.4081 6.4458 6.4458 6.4651 6.4651 7.1417 7.1417 7.7420 7.7420 8.9086 8.9086 9.1236 9.1236 10.6574 10.6574 11.1334 11.1334 11.7550 11.7550 13.0141 13.0141 14.0479 14.0479 14.0913 14.0913 k = 0.5000 0.3081 0.0000 ( 3284 PWs) bands (ev): -24.4131 -24.4131 -7.2576 -7.2576 -6.1491 -6.1491 -6.1046 -6.1046 0.5039 0.5039 0.7759 0.7759 4.3284 4.3284 4.6206 4.6206 4.6878 4.6878 5.1243 5.1243 5.3689 5.3689 6.4104 6.4104 6.4478 6.4478 6.4618 6.4618 7.1432 7.1432 7.7461 7.7461 8.9130 8.9130 9.1315 9.1315 10.6448 10.6448 11.1322 11.1322 11.7574 11.7574 13.0080 13.0080 14.0523 14.0523 14.0963 14.0963 k = 0.0000 0.0000 0.9531 ( 3272 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1871 -6.1871 -6.1405 -6.1405 0.6914 0.6914 2.4983 2.4983 4.1067 4.1067 4.1317 4.1317 5.3071 5.3071 5.4149 5.4149 5.6270 5.6270 5.6709 5.6709 6.4766 6.4766 6.7400 6.7400 6.9936 6.9936 7.0168 7.0168 7.5623 7.5623 8.3369 8.3369 8.5272 8.5272 8.7775 8.7775 9.8294 9.8294 13.0512 13.0512 14.0371 14.0371 14.7448 14.7448 k = 0.0156 0.0096 0.9531 ( 3264 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1871 -6.1871 -6.1405 -6.1405 0.6914 0.6914 2.4982 2.4982 4.1066 4.1066 4.1318 4.1318 5.3074 5.3074 5.4148 5.4148 5.6270 5.6270 5.6709 5.6709 6.4765 6.4765 6.7385 6.7385 6.9934 6.9934 7.0160 7.0160 7.5654 7.5654 8.3370 8.3370 8.5267 8.5267 8.7797 8.7797 9.8260 9.8260 13.0439 13.0439 14.0438 14.0438 14.7528 14.7528 k = 0.0312 0.0193 0.9531 ( 3268 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1871 -6.1871 -6.1405 -6.1405 0.6914 0.6914 2.4982 2.4982 4.1062 4.1062 4.1322 4.1322 5.3084 5.3084 5.4147 5.4147 5.6268 5.6268 5.6709 5.6709 6.4761 6.4761 6.7342 6.7342 6.9929 6.9929 7.0140 7.0140 7.5747 7.5747 8.3372 8.3372 8.5251 8.5251 8.7864 8.7864 9.8159 9.8159 13.0227 13.0227 14.0636 14.0636 14.7762 14.7762 k = 0.0469 0.0289 0.9531 ( 3270 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1871 -6.1871 -6.1405 -6.1405 0.6914 0.6914 2.4982 2.4982 4.1056 4.1056 4.1327 4.1327 5.3099 5.3099 5.4144 5.4144 5.6266 5.6266 5.6708 5.6708 6.4755 6.4755 6.7273 6.7273 6.9919 6.9919 7.0110 7.0110 7.5895 7.5895 8.3376 8.3376 8.5227 8.5227 8.7974 8.7974 9.7994 9.7994 12.9893 12.9893 14.0964 14.0964 14.8125 14.8125 k = 0.0625 0.0385 0.9531 ( 3268 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1871 -6.1871 -6.1405 -6.1405 0.6915 0.6915 2.4981 2.4981 4.1048 4.1048 4.1333 4.1333 5.3121 5.3121 5.4140 5.4140 5.6264 5.6264 5.6707 5.6707 6.4746 6.4746 6.7181 6.7181 6.9904 6.9904 7.0078 7.0078 7.6088 7.6088 8.3382 8.3382 8.5196 8.5196 8.8124 8.8124 9.7769 9.7769 12.9465 12.9465 14.1417 14.1417 14.8587 14.8587 k = 0.0781 0.0481 0.9531 ( 3272 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1871 -6.1871 -6.1406 -6.1406 0.6915 0.6915 2.4980 2.4980 4.1040 4.1040 4.1341 4.1341 5.3147 5.3147 5.4136 5.4136 5.6261 5.6261 5.6704 5.6704 6.4735 6.4735 6.7070 6.7070 6.9882 6.9882 7.0049 7.0049 7.6315 7.6315 8.3388 8.3388 8.5161 8.5161 8.8314 8.8314 9.7488 9.7488 12.8969 12.8969 14.1990 14.1990 14.9110 14.9110 k = 0.0938 0.0578 0.9531 ( 3280 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1870 -6.1870 -6.1406 -6.1406 0.6916 0.6916 2.4980 2.4980 4.1030 4.1030 4.1349 4.1349 5.3177 5.3177 5.4130 5.4130 5.6259 5.6259 5.6701 5.6701 6.4720 6.4720 6.6948 6.6948 6.9854 6.9854 7.0027 7.0027 7.6565 7.6565 8.3395 8.3395 8.5123 8.5123 8.8539 8.8539 9.7157 9.7157 12.8434 12.8434 14.2678 14.2678 14.9660 14.9660 k = 0.1094 0.0674 0.9531 ( 3284 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1870 -6.1870 -6.1406 -6.1406 0.6916 0.6916 2.4979 2.4979 4.1021 4.1021 4.1357 4.1357 5.3211 5.3211 5.4124 5.4124 5.6258 5.6258 5.6695 5.6695 6.4703 6.4703 6.6819 6.6819 6.9823 6.9823 7.0011 7.0011 7.6828 7.6828 8.3403 8.3403 8.5083 8.5083 8.8798 8.8798 9.6783 9.6783 12.7884 12.7884 14.3473 14.3473 15.0203 15.0203 k = 0.1250 0.0770 0.9531 ( 3284 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1870 -6.1870 -6.1407 -6.1407 0.6917 0.6917 2.4978 2.4978 4.1012 4.1012 4.1365 4.1365 5.3246 5.3246 5.4118 5.4118 5.6258 5.6258 5.6687 5.6687 6.4683 6.4683 6.6690 6.6690 6.9793 6.9793 6.9999 6.9999 7.7093 7.7093 8.3411 8.3411 8.5044 8.5044 8.9089 8.9089 9.6372 9.6372 12.7342 12.7342 14.4367 14.4367 15.0715 15.0715 k = 0.1406 0.0867 0.9531 ( 3284 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1870 -6.1870 -6.1407 -6.1407 0.6917 0.6917 2.4977 2.4977 4.1003 4.1003 4.1373 4.1373 5.3283 5.3283 5.4112 5.4112 5.6259 5.6259 5.6678 5.6678 6.4660 6.4660 6.6567 6.6567 6.9764 6.9764 6.9990 6.9990 7.7350 7.7350 8.3419 8.3419 8.5007 8.5007 8.9409 8.9409 9.5932 9.5932 12.6824 12.6824 14.5353 14.5353 15.1178 15.1178 k = 0.1562 0.0963 0.9531 ( 3276 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1869 -6.1869 -6.1407 -6.1407 0.6918 0.6918 2.4976 2.4976 4.0995 4.0995 4.1379 4.1379 5.3318 5.3318 5.4105 5.4105 5.6262 5.6262 5.6666 5.6666 6.4636 6.4636 6.6454 6.6454 6.9740 6.9740 6.9983 6.9983 7.7591 7.7591 8.3426 8.3426 8.4973 8.4973 8.9756 8.9756 9.5470 9.5470 12.6347 12.6347 14.6423 14.6423 15.1582 15.1582 k = 0.1719 0.1059 0.9531 ( 3278 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1869 -6.1869 -6.1408 -6.1408 0.6918 0.6918 2.4975 2.4975 4.0988 4.0988 4.1385 4.1385 5.3352 5.3352 5.4099 5.4099 5.6267 5.6267 5.6654 5.6654 6.4612 6.4612 6.6354 6.6354 6.9719 6.9719 6.9978 6.9978 7.7810 7.7810 8.3433 8.3433 8.4942 8.4942 9.0128 9.0128 9.4994 9.4994 12.5923 12.5923 14.7569 14.7569 15.1921 15.1921 k = 0.1875 0.1155 0.9531 ( 3270 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1869 -6.1869 -6.1408 -6.1408 0.6919 0.6919 2.4974 2.4974 4.0982 4.0982 4.1390 4.1390 5.3382 5.3382 5.4094 5.4094 5.6272 5.6272 5.6641 5.6641 6.4588 6.4588 6.6271 6.6271 6.9703 6.9703 6.9973 6.9973 7.7998 7.7998 8.3439 8.3439 8.4915 8.4915 9.0520 9.0520 9.4511 9.4511 12.5563 12.5563 14.8782 14.8782 15.2194 15.2194 k = 0.2031 0.1252 0.9531 ( 3272 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1868 -6.1868 -6.1408 -6.1408 0.6919 0.6919 2.4973 2.4973 4.0978 4.0978 4.1393 4.1393 5.3407 5.3407 5.4089 5.4089 5.6278 5.6278 5.6629 5.6629 6.4568 6.4568 6.6205 6.6205 6.9690 6.9690 6.9970 6.9970 7.8150 7.8150 8.3444 8.3444 8.4894 8.4894 9.0923 9.0923 9.4032 9.4032 12.5274 12.5274 15.0055 15.0055 15.2404 15.2404 k = 0.2188 0.1348 0.9531 ( 3274 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1868 -6.1868 -6.1409 -6.1409 0.6920 0.6920 2.4972 2.4972 4.0975 4.0975 4.1395 4.1395 5.3426 5.3426 5.4086 5.4086 5.6283 5.6283 5.6618 5.6618 6.4551 6.4551 6.6158 6.6158 6.9681 6.9681 6.9968 6.9968 7.8262 7.8262 8.3447 8.3447 8.4878 8.4878 9.1324 9.1324 9.3577 9.3577 12.5063 12.5063 15.1376 15.1376 15.2555 15.2555 k = 0.2344 0.1444 0.9531 ( 3278 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1868 -6.1868 -6.1409 -6.1409 0.6920 0.6920 2.4971 2.4971 4.0974 4.0974 4.1396 4.1396 5.3438 5.3438 5.4085 5.4085 5.6287 5.6287 5.6611 5.6611 6.4541 6.4541 6.6129 6.6129 6.9676 6.9676 6.9966 6.9966 7.8330 7.8330 8.3448 8.3448 8.4869 8.4869 9.1674 9.1674 9.3194 9.3194 12.4935 12.4935 15.2575 15.2575 15.2808 15.2808 k = 0.2500 0.1541 0.9531 ( 3272 PWs) bands (ev): -24.4078 -24.4078 -7.2879 -7.2879 -6.1868 -6.1868 -6.1409 -6.1409 0.6920 0.6920 2.4971 2.4971 4.0974 4.0974 4.1395 4.1395 5.3442 5.3442 5.4085 5.4085 5.6289 5.6289 5.6608 5.6608 6.4538 6.4538 6.6119 6.6119 6.9674 6.9674 6.9965 6.9965 7.8353 7.8353 8.3447 8.3447 8.4867 8.4867 9.1828 9.1828 9.3029 9.3029 12.4892 12.4892 15.2648 15.2648 15.4122 15.4122 Writing output data file SrxGeAux2.save init_run : 0.40s CPU 0.58s WALL ( 1 calls) electrons : 199.76s CPU 202.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 199.75s CPU 202.71s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 328 calls) cegterg : 185.07s CPU 187.57s WALL ( 593 calls) Called by sum_band: Called by *egterg: h_psi : 122.52s CPU 124.32s WALL ( 9481 calls) s_psi : 5.14s CPU 5.18s WALL ( 9481 calls) g_psi : 0.27s CPU 0.22s WALL ( 8560 calls) cdiaghg : 54.62s CPU 55.60s WALL ( 8888 calls) cegterg:over : 5.46s CPU 5.47s WALL ( 8560 calls) cegterg:upda : 4.40s CPU 4.41s WALL ( 8560 calls) cegterg:last : 2.58s CPU 2.58s WALL ( 1577 calls) cdiaghg:chol : 3.09s CPU 3.09s WALL ( 8888 calls) cdiaghg:inve : 1.98s CPU 2.05s WALL ( 8888 calls) cdiaghg:para : 3.14s CPU 3.17s WALL ( 17776 calls) Called by h_psi: h_psi:vloc : 110.79s CPU 112.59s WALL ( 9481 calls) h_psi:vnl : 11.48s CPU 11.54s WALL ( 9481 calls) add_vuspsi : 6.08s CPU 5.98s WALL ( 9481 calls) General routines calbec : 5.38s CPU 5.53s WALL ( 9481 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 99.18s CPU 100.73s WALL ( 949356 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.15s WALL ( 656 calls) Parallel routines fft_scatter : 34.17s CPU 34.74s WALL ( 949379 calls) PWSCF : 3m33.66s CPU 3m50.59s WALL This run was terminated on: 13:30:21 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=