Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 5:15 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: ./PbSe2.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 58 52 14 1552 1290 193 Max 59 53 15 1555 1314 196 Sum 2111 1879 531 55925 46795 6985 bravais-lattice index = 14 lattice parameter (alat) = 11.2570 a.u. unit-cell volume = 1073.5204 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.256983 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.417986 celldm(5)= -0.417986 celldm(6)= -0.164028 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.164028 0.986456 0.000000 ) a(3) = ( -0.417986 -0.493228 0.762899 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.166280 0.655395 ) b(2) = ( 0.000000 1.013730 0.655395 ) b(3) = ( 0.000000 0.000000 1.310790 ) PseudoPot. # 1 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) Se 6.00 78.96000 Se( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5820141 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4932278 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5820141 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4932278 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [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= 286 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0000000 0.0000000 0.0187256), wk = 0.0034965 k( 3) = ( 0.0000000 0.0000000 0.0374512), wk = 0.0034965 k( 4) = ( 0.0000000 0.0000000 0.0561767), wk = 0.0034965 k( 5) = ( 0.0000000 0.0000000 0.0749023), wk = 0.0034965 k( 6) = ( 0.0000000 0.0000000 0.0936279), wk = 0.0034965 k( 7) = ( 0.0000000 0.0000000 0.1123535), wk = 0.0034965 k( 8) = ( 0.0000000 0.0000000 0.1310790), wk = 0.0034965 k( 9) = ( 0.0000000 0.0000000 0.1498046), wk = 0.0034965 k( 10) = ( 0.0000000 0.0000000 0.1685302), wk = 0.0034965 k( 11) = ( 0.0000000 0.0000000 0.1872558), wk = 0.0034965 k( 12) = ( 0.0000000 0.0000000 0.2059813), wk = 0.0034965 k( 13) = ( 0.0000000 0.0000000 0.2247069), wk = 0.0034965 k( 14) = ( 0.0000000 0.0000000 0.2434325), wk = 0.0034965 k( 15) = ( 0.0000000 0.0000000 0.2621581), wk = 0.0034965 k( 16) = ( 0.0000000 0.0000000 0.2808836), wk = 0.0034965 k( 17) = ( 0.0000000 0.0000000 0.2996092), wk = 0.0034965 k( 18) = ( 0.0000000 0.0000000 0.3183348), wk = 0.0034965 k( 19) = ( 0.0000000 0.0000000 0.3370604), wk = 0.0034965 k( 20) = ( 0.0000000 0.0000000 0.3557860), wk = 0.0034965 k( 21) = ( 0.0000000 0.0000000 0.3745115), wk = 0.0034965 k( 22) = ( 0.0000000 0.0000000 0.3932371), wk = 0.0034965 k( 23) = ( 0.0000000 0.0000000 0.4119627), wk = 0.0034965 k( 24) = ( 0.0000000 0.0000000 0.4306883), wk = 0.0034965 k( 25) = ( 0.0000000 0.0000000 0.4494138), wk = 0.0034965 k( 26) = ( 0.0000000 0.0000000 0.4681394), wk = 0.0034965 k( 27) = ( 0.0000000 0.0000000 0.4868650), wk = 0.0034965 k( 28) = ( 0.0000000 0.0000000 0.5055906), wk = 0.0034965 k( 29) = ( 0.0000000 0.0000000 0.5243161), wk = 0.0034965 k( 30) = ( 0.0000000 0.0000000 0.5430417), wk = 0.0034965 k( 31) = ( 0.0000000 0.0000000 0.5617673), wk = 0.0034965 k( 32) = ( 0.0000000 0.0000000 0.5804929), wk = 0.0034965 k( 33) = ( 0.0000000 0.0000000 0.5992185), wk = 0.0034965 k( 34) = ( 0.0000000 0.0000000 0.6179440), wk = 0.0034965 k( 35) = ( 0.0000000 0.0000000 0.6366696), wk = 0.0034965 k( 36) = ( 0.0000000 0.0000000 0.6553952), wk = 0.0034965 k( 37) = ( 0.0000000 0.0000000 0.6553952), wk = 0.0034965 k( 38) = ( -0.0139243 0.0118001 0.6553952), wk = 0.0034965 k( 39) = ( -0.0278485 0.0236002 0.6553952), wk = 0.0034965 k( 40) = ( -0.0417728 0.0354003 0.6553952), wk = 0.0034965 k( 41) = ( -0.0556970 0.0472004 0.6553952), wk = 0.0034965 k( 42) = ( -0.0696213 0.0590005 0.6553952), wk = 0.0034965 k( 43) = ( -0.0835455 0.0708006 0.6553952), wk = 0.0034965 k( 44) = ( -0.0974698 0.0826007 0.6553952), wk = 0.0034965 k( 45) = ( -0.1113940 0.0944009 0.6553952), wk = 0.0034965 k( 46) = ( -0.1253183 0.1062010 0.6553952), wk = 0.0034965 k( 47) = ( -0.1392425 0.1180011 0.6553952), wk = 0.0034965 k( 48) = ( -0.1531668 0.1298012 0.6553952), wk = 0.0034965 k( 49) = ( -0.1670910 0.1416013 0.6553952), wk = 0.0034965 k( 50) = ( -0.1810153 0.1534014 0.6553952), wk = 0.0034965 k( 51) = ( -0.1949395 0.1652015 0.6553952), wk = 0.0034965 k( 52) = ( -0.2088638 0.1770016 0.6553952), wk = 0.0034965 k( 53) = ( -0.2227880 0.1888017 0.6553952), wk = 0.0034965 k( 54) = ( -0.2367123 0.2006018 0.6553952), wk = 0.0034965 k( 55) = ( -0.2506366 0.2124019 0.6553952), wk = 0.0034965 k( 56) = ( -0.2645608 0.2242020 0.6553952), wk = 0.0034965 k( 57) = ( -0.2784851 0.2360021 0.6553952), wk = 0.0034965 k( 58) = ( -0.2924093 0.2478023 0.6553952), wk = 0.0034965 k( 59) = ( -0.3063336 0.2596024 0.6553952), wk = 0.0034965 k( 60) = ( -0.3202578 0.2714025 0.6553952), wk = 0.0034965 k( 61) = ( -0.3341821 0.2832026 0.6553952), wk = 0.0034965 k( 62) = ( -0.3481063 0.2950027 0.6553952), wk = 0.0034965 k( 63) = ( -0.3481063 0.2950027 0.6553952), wk = 0.0034965 k( 64) = ( -0.3575997 0.3030478 0.6429514), wk = 0.0034965 k( 65) = ( -0.3670930 0.3110930 0.6305076), wk = 0.0034965 k( 66) = ( -0.3765864 0.3191381 0.6180638), wk = 0.0034965 k( 67) = ( -0.3860797 0.3271833 0.6056200), wk = 0.0034965 k( 68) = ( -0.3955731 0.3352284 0.5931762), wk = 0.0034965 k( 69) = ( -0.4050665 0.3432735 0.5807324), wk = 0.0034965 k( 70) = ( -0.4145598 0.3513187 0.5682886), wk = 0.0034965 k( 71) = ( -0.4240532 0.3593638 0.5558448), wk = 0.0034965 k( 72) = ( -0.4240532 0.3593638 0.5558448), wk = 0.0034965 k( 73) = ( -0.4139567 0.3508075 0.5426104), wk = 0.0034965 k( 74) = ( -0.4038602 0.3422513 0.5293760), wk = 0.0034965 k( 75) = ( -0.3937637 0.3336950 0.5161416), wk = 0.0034965 k( 76) = ( -0.3836672 0.3251387 0.5029072), wk = 0.0034965 k( 77) = ( -0.3735707 0.3165824 0.4896728), wk = 0.0034965 k( 78) = ( -0.3634741 0.3080261 0.4764384), wk = 0.0034965 k( 79) = ( -0.3533776 0.2994699 0.4632040), wk = 0.0034965 k( 80) = ( -0.3432811 0.2909136 0.4499696), wk = 0.0034965 k( 81) = ( -0.3331846 0.2823573 0.4367352), wk = 0.0034965 k( 82) = ( -0.3230881 0.2738010 0.4235008), wk = 0.0034965 k( 83) = ( -0.3129916 0.2652447 0.4102664), wk = 0.0034965 k( 84) = ( -0.3028951 0.2566884 0.3970320), wk = 0.0034965 k( 85) = ( -0.2927986 0.2481322 0.3837976), wk = 0.0034965 k( 86) = ( -0.2827021 0.2395759 0.3705632), wk = 0.0034965 k( 87) = ( -0.2726056 0.2310196 0.3573288), wk = 0.0034965 k( 88) = ( -0.2625091 0.2224633 0.3440944), wk = 0.0034965 k( 89) = ( -0.2524126 0.2139070 0.3308600), wk = 0.0034965 k( 90) = ( -0.2423161 0.2053508 0.3176256), wk = 0.0034965 k( 91) = ( -0.2322196 0.1967945 0.3043912), wk = 0.0034965 k( 92) = ( -0.2221231 0.1882382 0.2911568), wk = 0.0034965 k( 93) = ( -0.2120266 0.1796819 0.2779224), wk = 0.0034965 k( 94) = ( -0.2019301 0.1711256 0.2646880), wk = 0.0034965 k( 95) = ( -0.1918336 0.1625693 0.2514536), wk = 0.0034965 k( 96) = ( -0.1817371 0.1540131 0.2382192), wk = 0.0034965 k( 97) = ( -0.1716406 0.1454568 0.2249848), wk = 0.0034965 k( 98) = ( -0.1615441 0.1369005 0.2117504), wk = 0.0034965 k( 99) = ( -0.1514476 0.1283442 0.1985160), wk = 0.0034965 k( 100) = ( -0.1413511 0.1197879 0.1852816), wk = 0.0034965 k( 101) = ( -0.1312545 0.1112317 0.1720472), wk = 0.0034965 k( 102) = ( -0.1211581 0.1026754 0.1588128), wk = 0.0034965 k( 103) = ( -0.1110615 0.0941191 0.1455784), wk = 0.0034965 k( 104) = ( -0.1009650 0.0855628 0.1323440), wk = 0.0034965 k( 105) = ( -0.0908685 0.0770065 0.1191096), wk = 0.0034965 k( 106) = ( -0.0807720 0.0684503 0.1058752), wk = 0.0034965 k( 107) = ( -0.0706755 0.0598940 0.0926408), wk = 0.0034965 k( 108) = ( -0.0605790 0.0513377 0.0794064), wk = 0.0034965 k( 109) = ( -0.0504825 0.0427814 0.0661720), wk = 0.0034965 k( 110) = ( -0.0403860 0.0342251 0.0529376), wk = 0.0034965 k( 111) = ( -0.0302895 0.0256688 0.0397032), wk = 0.0034965 k( 112) = ( -0.0201930 0.0171126 0.0264688), wk = 0.0034965 k( 113) = ( -0.0100965 0.0085563 0.0132344), wk = 0.0034965 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 116) = ( 0.0121951 0.0143904 -0.0000000), wk = 0.0034965 k( 117) = ( 0.0243902 0.0287807 -0.0000000), wk = 0.0034965 k( 118) = ( 0.0365854 0.0431711 -0.0000000), wk = 0.0034965 k( 119) = ( 0.0487805 0.0575615 -0.0000000), wk = 0.0034965 k( 120) = ( 0.0609756 0.0719519 -0.0000000), wk = 0.0034965 k( 121) = ( 0.0731707 0.0863422 -0.0000000), wk = 0.0034965 k( 122) = ( 0.0853658 0.1007326 -0.0000000), wk = 0.0034965 k( 123) = ( 0.0975610 0.1151230 -0.0000000), wk = 0.0034965 k( 124) = ( 0.1097561 0.1295134 -0.0000000), wk = 0.0034965 k( 125) = ( 0.1219512 0.1439037 -0.0000000), wk = 0.0034965 k( 126) = ( 0.1341463 0.1582941 -0.0000000), wk = 0.0034965 k( 127) = ( 0.1463415 0.1726845 -0.0000000), wk = 0.0034965 k( 128) = ( 0.1585366 0.1870749 -0.0000000), wk = 0.0034965 k( 129) = ( 0.1707317 0.2014652 -0.0000000), wk = 0.0034965 k( 130) = ( 0.1829268 0.2158556 -0.0000000), wk = 0.0034965 k( 131) = ( 0.1951219 0.2302460 -0.0000000), wk = 0.0034965 k( 132) = ( 0.2073171 0.2446364 -0.0000000), wk = 0.0034965 k( 133) = ( 0.2195122 0.2590268 -0.0000000), wk = 0.0034965 k( 134) = ( 0.2317073 0.2734171 -0.0000000), wk = 0.0034965 k( 135) = ( 0.2439024 0.2878075 -0.0000000), wk = 0.0034965 k( 136) = ( 0.2560976 0.3021979 -0.0000000), wk = 0.0034965 k( 137) = ( 0.2682927 0.3165882 -0.0000000), wk = 0.0034965 k( 138) = ( 0.2804878 0.3309786 -0.0000000), wk = 0.0034965 k( 139) = ( 0.2926829 0.3453690 -0.0000000), wk = 0.0034965 k( 140) = ( 0.3048781 0.3597594 -0.0000000), wk = 0.0034965 k( 141) = ( 0.3170732 0.3741497 -0.0000000), wk = 0.0034965 k( 142) = ( 0.3292683 0.3885401 -0.0000000), wk = 0.0034965 k( 143) = ( 0.3414634 0.4029305 -0.0000000), wk = 0.0034965 k( 144) = ( 0.3536585 0.4173209 -0.0000000), wk = 0.0034965 k( 145) = ( 0.3658537 0.4317112 -0.0000000), wk = 0.0034965 k( 146) = ( 0.3780488 0.4461016 -0.0000000), wk = 0.0034965 k( 147) = ( 0.3902439 0.4604920 -0.0000000), wk = 0.0034965 k( 148) = ( 0.4024390 0.4748824 -0.0000000), wk = 0.0034965 k( 149) = ( 0.4146341 0.4892727 -0.0000000), wk = 0.0034965 k( 150) = ( 0.4268293 0.5036631 -0.0000000), wk = 0.0034965 k( 151) = ( 0.4390244 0.5180535 -0.0000000), wk = 0.0034965 k( 152) = ( 0.4512195 0.5324439 -0.0000000), wk = 0.0034965 k( 153) = ( 0.4634146 0.5468342 -0.0000000), wk = 0.0034965 k( 154) = ( 0.4756098 0.5612246 -0.0000000), wk = 0.0034965 k( 155) = ( 0.4878049 0.5756150 -0.0000000), wk = 0.0034965 k( 156) = ( 0.5000000 0.5900054 -0.0000000), wk = 0.0034965 k( 157) = ( 0.5000000 0.5900054 -0.0000000), wk = 0.0034965 k( 158) = ( 0.4905066 0.5980505 0.0124438), wk = 0.0034965 k( 159) = ( 0.4810133 0.6060957 0.0248876), wk = 0.0034965 k( 160) = ( 0.4715199 0.6141408 0.0373314), wk = 0.0034965 k( 161) = ( 0.4620266 0.6221859 0.0497752), wk = 0.0034965 k( 162) = ( 0.4525332 0.6302311 0.0622190), wk = 0.0034965 k( 163) = ( 0.4430399 0.6382762 0.0746628), wk = 0.0034965 k( 164) = ( 0.4335465 0.6463214 0.0871066), wk = 0.0034965 k( 165) = ( 0.4240532 0.6543665 0.0995504), wk = 0.0034965 k( 166) = ( 0.4240532 0.6543665 0.0995504), wk = 0.0034965 k( 167) = ( 0.4083475 0.6489035 0.1080003), wk = 0.0034965 k( 168) = ( 0.3926418 0.6434405 0.1164502), wk = 0.0034965 k( 169) = ( 0.3769362 0.6379775 0.1249001), wk = 0.0034965 k( 170) = ( 0.3612305 0.6325145 0.1333500), wk = 0.0034965 k( 171) = ( 0.3455248 0.6270514 0.1417999), wk = 0.0034965 k( 172) = ( 0.3298191 0.6215884 0.1502498), wk = 0.0034965 k( 173) = ( 0.3141135 0.6161254 0.1586996), wk = 0.0034965 k( 174) = ( 0.2984078 0.6106624 0.1671496), wk = 0.0034965 k( 175) = ( 0.2827021 0.6051994 0.1755994), wk = 0.0034965 k( 176) = ( 0.2669964 0.5997364 0.1840493), wk = 0.0034965 k( 177) = ( 0.2512908 0.5942734 0.1924992), wk = 0.0034965 k( 178) = ( 0.2355851 0.5888104 0.2009491), wk = 0.0034965 k( 179) = ( 0.2198794 0.5833473 0.2093990), wk = 0.0034965 k( 180) = ( 0.2041737 0.5778843 0.2178489), wk = 0.0034965 k( 181) = ( 0.1884681 0.5724213 0.2262988), wk = 0.0034965 k( 182) = ( 0.1727624 0.5669583 0.2347487), wk = 0.0034965 k( 183) = ( 0.1570567 0.5614953 0.2431986), wk = 0.0034965 k( 184) = ( 0.1413511 0.5560323 0.2516485), wk = 0.0034965 k( 185) = ( 0.1256454 0.5505693 0.2600984), wk = 0.0034965 k( 186) = ( 0.1099397 0.5451063 0.2685483), wk = 0.0034965 k( 187) = ( 0.0942340 0.5396432 0.2769982), wk = 0.0034965 k( 188) = ( 0.0785284 0.5341802 0.2854481), wk = 0.0034965 k( 189) = ( 0.0628227 0.5287172 0.2938980), wk = 0.0034965 k( 190) = ( 0.0471170 0.5232542 0.3023479), wk = 0.0034965 k( 191) = ( 0.0314113 0.5177912 0.3107978), wk = 0.0034965 k( 192) = ( 0.0157057 0.5123282 0.3192477), wk = 0.0034965 k( 193) = ( 0.0000000 0.5068652 0.3276976), wk = 0.0034965 k( 194) = ( 0.0000000 0.5068652 0.3276976), wk = 0.0034965 k( 195) = ( 0.0100000 0.4983907 0.3408055), wk = 0.0034965 k( 196) = ( 0.0200000 0.4899162 0.3539134), wk = 0.0034965 k( 197) = ( 0.0300000 0.4814417 0.3670213), wk = 0.0034965 k( 198) = ( 0.0400000 0.4729672 0.3801292), wk = 0.0034965 k( 199) = ( 0.0500000 0.4644927 0.3932371), wk = 0.0034965 k( 200) = ( 0.0600000 0.4560182 0.4063450), wk = 0.0034965 k( 201) = ( 0.0700000 0.4475437 0.4194529), wk = 0.0034965 k( 202) = ( 0.0800000 0.4390692 0.4325608), wk = 0.0034965 k( 203) = ( 0.0900000 0.4305947 0.4456687), wk = 0.0034965 k( 204) = ( 0.1000000 0.4221202 0.4587766), wk = 0.0034965 k( 205) = ( 0.1100000 0.4136457 0.4718845), wk = 0.0034965 k( 206) = ( 0.1200000 0.4051712 0.4849924), wk = 0.0034965 k( 207) = ( 0.1300000 0.3966967 0.4981003), wk = 0.0034965 k( 208) = ( 0.1400000 0.3882222 0.5112082), wk = 0.0034965 k( 209) = ( 0.1500000 0.3797477 0.5243161), wk = 0.0034965 k( 210) = ( 0.1600000 0.3712732 0.5374240), wk = 0.0034965 k( 211) = ( 0.1700000 0.3627987 0.5505320), wk = 0.0034965 k( 212) = ( 0.1800000 0.3543242 0.5636399), wk = 0.0034965 k( 213) = ( 0.1900000 0.3458497 0.5767478), wk = 0.0034965 k( 214) = ( 0.2000000 0.3373752 0.5898557), wk = 0.0034965 k( 215) = ( 0.2100000 0.3289007 0.6029636), wk = 0.0034965 k( 216) = ( 0.2200000 0.3204262 0.6160715), wk = 0.0034965 k( 217) = ( 0.2300000 0.3119517 0.6291794), wk = 0.0034965 k( 218) = ( 0.2400000 0.3034772 0.6422873), wk = 0.0034965 k( 219) = ( 0.2500000 0.2950027 0.6553952), wk = 0.0034965 k( 220) = ( 0.2500000 0.2950027 0.6553952), wk = 0.0034965 k( 221) = ( 0.2578125 0.3042215 0.6411360), wk = 0.0034965 k( 222) = ( 0.2656250 0.3134404 0.6268768), wk = 0.0034965 k( 223) = ( 0.2734375 0.3226592 0.6126176), wk = 0.0034965 k( 224) = ( 0.2812500 0.3318780 0.5983584), wk = 0.0034965 k( 225) = ( 0.2890625 0.3410969 0.5840992), wk = 0.0034965 k( 226) = ( 0.2968750 0.3503157 0.5698400), wk = 0.0034965 k( 227) = ( 0.3046875 0.3595345 0.5555808), wk = 0.0034965 k( 228) = ( 0.3125000 0.3687534 0.5413216), wk = 0.0034965 k( 229) = ( 0.3203125 0.3779722 0.5270624), wk = 0.0034965 k( 230) = ( 0.3281250 0.3871910 0.5128032), wk = 0.0034965 k( 231) = ( 0.3359375 0.3964099 0.4985440), wk = 0.0034965 k( 232) = ( 0.3437500 0.4056287 0.4842848), wk = 0.0034965 k( 233) = ( 0.3515625 0.4148475 0.4700256), wk = 0.0034965 k( 234) = ( 0.3593750 0.4240664 0.4557664), wk = 0.0034965 k( 235) = ( 0.3671875 0.4332852 0.4415072), wk = 0.0034965 k( 236) = ( 0.3750000 0.4425040 0.4272480), wk = 0.0034965 k( 237) = ( 0.3828125 0.4517229 0.4129888), wk = 0.0034965 k( 238) = ( 0.3906250 0.4609417 0.3987296), wk = 0.0034965 k( 239) = ( 0.3984375 0.4701605 0.3844704), wk = 0.0034965 k( 240) = ( 0.4062500 0.4793794 0.3702112), wk = 0.0034965 k( 241) = ( 0.4140625 0.4885982 0.3559520), wk = 0.0034965 k( 242) = ( 0.4218750 0.4978170 0.3416928), wk = 0.0034965 k( 243) = ( 0.4296875 0.5070359 0.3274336), wk = 0.0034965 k( 244) = ( 0.4375000 0.5162547 0.3131744), wk = 0.0034965 k( 245) = ( 0.4453125 0.5254735 0.2989152), wk = 0.0034965 k( 246) = ( 0.4531250 0.5346924 0.2846560), wk = 0.0034965 k( 247) = ( 0.4609375 0.5439112 0.2703968), wk = 0.0034965 k( 248) = ( 0.4687500 0.5531300 0.2561376), wk = 0.0034965 k( 249) = ( 0.4765625 0.5623489 0.2418784), wk = 0.0034965 k( 250) = ( 0.4843750 0.5715677 0.2276192), wk = 0.0034965 k( 251) = ( 0.4921875 0.5807865 0.2133600), wk = 0.0034965 k( 252) = ( 0.5000000 0.5900054 0.1991008), wk = 0.0034965 k( 253) = ( 0.5000000 0.5900054 0.1991008), wk = 0.0034965 k( 254) = ( 0.5000000 0.5900054 0.1810007), wk = 0.0034965 k( 255) = ( 0.5000000 0.5900054 0.1629006), wk = 0.0034965 k( 256) = ( 0.5000000 0.5900054 0.1448005), wk = 0.0034965 k( 257) = ( 0.5000000 0.5900054 0.1267005), wk = 0.0034965 k( 258) = ( 0.5000000 0.5900054 0.1086004), wk = 0.0034965 k( 259) = ( 0.5000000 0.5900054 0.0905003), wk = 0.0034965 k( 260) = ( 0.5000000 0.5900054 0.0724003), wk = 0.0034965 k( 261) = ( 0.5000000 0.5900054 0.0543002), wk = 0.0034965 k( 262) = ( 0.5000000 0.5900054 0.0362001), wk = 0.0034965 k( 263) = ( 0.5000000 0.5900054 0.0181001), wk = 0.0034965 k( 264) = ( 0.5000000 0.5900054 -0.0000000), wk = 0.0034965 k( 265) = ( 0.0000000 0.0000000 0.6553952), wk = 0.0034965 k( 266) = ( 0.0119048 0.0140477 0.6553952), wk = 0.0034965 k( 267) = ( 0.0238095 0.0280955 0.6553952), wk = 0.0034965 k( 268) = ( 0.0357143 0.0421432 0.6553952), wk = 0.0034965 k( 269) = ( 0.0476191 0.0561910 0.6553952), wk = 0.0034965 k( 270) = ( 0.0595238 0.0702387 0.6553952), wk = 0.0034965 k( 271) = ( 0.0714286 0.0842865 0.6553952), wk = 0.0034965 k( 272) = ( 0.0833333 0.0983342 0.6553952), wk = 0.0034965 k( 273) = ( 0.0952381 0.1123820 0.6553952), wk = 0.0034965 k( 274) = ( 0.1071429 0.1264297 0.6553952), wk = 0.0034965 k( 275) = ( 0.1190476 0.1404775 0.6553952), wk = 0.0034965 k( 276) = ( 0.1309524 0.1545252 0.6553952), wk = 0.0034965 k( 277) = ( 0.1428571 0.1685730 0.6553952), wk = 0.0034965 k( 278) = ( 0.1547619 0.1826207 0.6553952), wk = 0.0034965 k( 279) = ( 0.1666667 0.1966685 0.6553952), wk = 0.0034965 k( 280) = ( 0.1785714 0.2107162 0.6553952), wk = 0.0034965 k( 281) = ( 0.1904762 0.2247639 0.6553952), wk = 0.0034965 k( 282) = ( 0.2023810 0.2388117 0.6553952), wk = 0.0034965 k( 283) = ( 0.2142857 0.2528594 0.6553952), wk = 0.0034965 k( 284) = ( 0.2261905 0.2669072 0.6553952), wk = 0.0034965 k( 285) = ( 0.2380952 0.2809549 0.6553952), wk = 0.0034965 k( 286) = ( 0.2500000 0.2950027 0.6553952), wk = 0.0034965 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0034965 k( 3) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0034965 k( 4) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0034965 k( 5) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0034965 k( 6) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034965 k( 7) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0034965 k( 8) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0034965 k( 9) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0034965 k( 10) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0034965 k( 11) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034965 k( 12) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0034965 k( 13) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0034965 k( 14) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0034965 k( 15) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0034965 k( 16) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034965 k( 17) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0034965 k( 18) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0034965 k( 19) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0034965 k( 20) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0034965 k( 21) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034965 k( 22) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0034965 k( 23) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0034965 k( 24) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0034965 k( 25) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0034965 k( 26) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034965 k( 27) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0034965 k( 28) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0034965 k( 29) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0034965 k( 30) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0034965 k( 31) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034965 k( 32) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0034965 k( 33) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0034965 k( 34) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0034965 k( 35) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0034965 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 38) = ( -0.0139243 0.0139242 0.5000000), wk = 0.0034965 k( 39) = ( -0.0278485 0.0278485 0.5000000), wk = 0.0034965 k( 40) = ( -0.0417728 0.0417728 0.5000000), wk = 0.0034965 k( 41) = ( -0.0556970 0.0556970 0.5000000), wk = 0.0034965 k( 42) = ( -0.0696213 0.0696213 0.5000000), wk = 0.0034965 k( 43) = ( -0.0835455 0.0835455 0.5000000), wk = 0.0034965 k( 44) = ( -0.0974698 0.0974698 0.5000000), wk = 0.0034965 k( 45) = ( -0.1113940 0.1113940 0.5000000), wk = 0.0034965 k( 46) = ( -0.1253183 0.1253183 0.5000000), wk = 0.0034965 k( 47) = ( -0.1392425 0.1392425 0.5000000), wk = 0.0034965 k( 48) = ( -0.1531668 0.1531668 0.5000000), wk = 0.0034965 k( 49) = ( -0.1670910 0.1670910 0.5000000), wk = 0.0034965 k( 50) = ( -0.1810153 0.1810153 0.5000000), wk = 0.0034965 k( 51) = ( -0.1949395 0.1949395 0.5000000), wk = 0.0034965 k( 52) = ( -0.2088638 0.2088638 0.5000000), wk = 0.0034965 k( 53) = ( -0.2227880 0.2227880 0.5000000), wk = 0.0034965 k( 54) = ( -0.2367123 0.2367123 0.5000000), wk = 0.0034965 k( 55) = ( -0.2506366 0.2506366 0.5000000), wk = 0.0034965 k( 56) = ( -0.2645608 0.2645608 0.5000000), wk = 0.0034965 k( 57) = ( -0.2784851 0.2784851 0.5000000), wk = 0.0034965 k( 58) = ( -0.2924093 0.2924093 0.5000000), wk = 0.0034965 k( 59) = ( -0.3063336 0.3063336 0.5000000), wk = 0.0034965 k( 60) = ( -0.3202578 0.3202578 0.5000000), wk = 0.0034965 k( 61) = ( -0.3341821 0.3341821 0.5000000), wk = 0.0034965 k( 62) = ( -0.3481063 0.3481063 0.5000000), wk = 0.0034965 k( 63) = ( -0.3481063 0.3481063 0.5000000), wk = 0.0034965 k( 64) = ( -0.3575997 0.3575997 0.4905066), wk = 0.0034965 k( 65) = ( -0.3670930 0.3670930 0.4810133), wk = 0.0034965 k( 66) = ( -0.3765864 0.3765864 0.4715199), wk = 0.0034965 k( 67) = ( -0.3860797 0.3860797 0.4620266), wk = 0.0034965 k( 68) = ( -0.3955731 0.3955731 0.4525332), wk = 0.0034965 k( 69) = ( -0.4050665 0.4050665 0.4430399), wk = 0.0034965 k( 70) = ( -0.4145598 0.4145598 0.4335465), wk = 0.0034965 k( 71) = ( -0.4240532 0.4240532 0.4240532), wk = 0.0034965 k( 72) = ( -0.4240532 0.4240532 0.4240532), wk = 0.0034965 k( 73) = ( -0.4139567 0.4139567 0.4139567), wk = 0.0034965 k( 74) = ( -0.4038602 0.4038602 0.4038602), wk = 0.0034965 k( 75) = ( -0.3937637 0.3937636 0.3937637), wk = 0.0034965 k( 76) = ( -0.3836672 0.3836671 0.3836671), wk = 0.0034965 k( 77) = ( -0.3735707 0.3735706 0.3735707), wk = 0.0034965 k( 78) = ( -0.3634741 0.3634741 0.3634741), wk = 0.0034965 k( 79) = ( -0.3533776 0.3533776 0.3533776), wk = 0.0034965 k( 80) = ( -0.3432811 0.3432811 0.3432811), wk = 0.0034965 k( 81) = ( -0.3331846 0.3331846 0.3331846), wk = 0.0034965 k( 82) = ( -0.3230881 0.3230881 0.3230881), wk = 0.0034965 k( 83) = ( -0.3129916 0.3129916 0.3129916), wk = 0.0034965 k( 84) = ( -0.3028951 0.3028951 0.3028951), wk = 0.0034965 k( 85) = ( -0.2927986 0.2927986 0.2927986), wk = 0.0034965 k( 86) = ( -0.2827021 0.2827021 0.2827021), wk = 0.0034965 k( 87) = ( -0.2726056 0.2726056 0.2726056), wk = 0.0034965 k( 88) = ( -0.2625091 0.2625091 0.2625091), wk = 0.0034965 k( 89) = ( -0.2524126 0.2524126 0.2524126), wk = 0.0034965 k( 90) = ( -0.2423161 0.2423161 0.2423161), wk = 0.0034965 k( 91) = ( -0.2322196 0.2322196 0.2322196), wk = 0.0034965 k( 92) = ( -0.2221231 0.2221231 0.2221231), wk = 0.0034965 k( 93) = ( -0.2120266 0.2120266 0.2120266), wk = 0.0034965 k( 94) = ( -0.2019301 0.2019301 0.2019301), wk = 0.0034965 k( 95) = ( -0.1918336 0.1918336 0.1918336), wk = 0.0034965 k( 96) = ( -0.1817371 0.1817371 0.1817371), wk = 0.0034965 k( 97) = ( -0.1716406 0.1716406 0.1716406), wk = 0.0034965 k( 98) = ( -0.1615441 0.1615441 0.1615441), wk = 0.0034965 k( 99) = ( -0.1514476 0.1514476 0.1514476), wk = 0.0034965 k( 100) = ( -0.1413511 0.1413511 0.1413511), wk = 0.0034965 k( 101) = ( -0.1312545 0.1312545 0.1312545), wk = 0.0034965 k( 102) = ( -0.1211581 0.1211580 0.1211580), wk = 0.0034965 k( 103) = ( -0.1110615 0.1110615 0.1110615), wk = 0.0034965 k( 104) = ( -0.1009650 0.1009650 0.1009650), wk = 0.0034965 k( 105) = ( -0.0908685 0.0908685 0.0908685), wk = 0.0034965 k( 106) = ( -0.0807720 0.0807720 0.0807720), wk = 0.0034965 k( 107) = ( -0.0706755 0.0706755 0.0706755), wk = 0.0034965 k( 108) = ( -0.0605790 0.0605790 0.0605790), wk = 0.0034965 k( 109) = ( -0.0504825 0.0504825 0.0504825), wk = 0.0034965 k( 110) = ( -0.0403860 0.0403860 0.0403860), wk = 0.0034965 k( 111) = ( -0.0302895 0.0302895 0.0302895), wk = 0.0034965 k( 112) = ( -0.0201930 0.0201930 0.0201930), wk = 0.0034965 k( 113) = ( -0.0100965 0.0100965 0.0100965), wk = 0.0034965 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 116) = ( 0.0121951 0.0121951 -0.0121951), wk = 0.0034965 k( 117) = ( 0.0243902 0.0243902 -0.0243902), wk = 0.0034965 k( 118) = ( 0.0365854 0.0365854 -0.0365854), wk = 0.0034965 k( 119) = ( 0.0487805 0.0487805 -0.0487805), wk = 0.0034965 k( 120) = ( 0.0609756 0.0609756 -0.0609756), wk = 0.0034965 k( 121) = ( 0.0731707 0.0731707 -0.0731707), wk = 0.0034965 k( 122) = ( 0.0853658 0.0853658 -0.0853658), wk = 0.0034965 k( 123) = ( 0.0975610 0.0975610 -0.0975610), wk = 0.0034965 k( 124) = ( 0.1097561 0.1097561 -0.1097561), wk = 0.0034965 k( 125) = ( 0.1219512 0.1219512 -0.1219512), wk = 0.0034965 k( 126) = ( 0.1341463 0.1341463 -0.1341463), wk = 0.0034965 k( 127) = ( 0.1463415 0.1463415 -0.1463415), wk = 0.0034965 k( 128) = ( 0.1585366 0.1585366 -0.1585366), wk = 0.0034965 k( 129) = ( 0.1707317 0.1707317 -0.1707317), wk = 0.0034965 k( 130) = ( 0.1829268 0.1829268 -0.1829268), wk = 0.0034965 k( 131) = ( 0.1951219 0.1951219 -0.1951219), wk = 0.0034965 k( 132) = ( 0.2073171 0.2073171 -0.2073171), wk = 0.0034965 k( 133) = ( 0.2195122 0.2195122 -0.2195122), wk = 0.0034965 k( 134) = ( 0.2317073 0.2317073 -0.2317073), wk = 0.0034965 k( 135) = ( 0.2439024 0.2439024 -0.2439024), wk = 0.0034965 k( 136) = ( 0.2560976 0.2560976 -0.2560976), wk = 0.0034965 k( 137) = ( 0.2682927 0.2682927 -0.2682927), wk = 0.0034965 k( 138) = ( 0.2804878 0.2804878 -0.2804878), wk = 0.0034965 k( 139) = ( 0.2926829 0.2926829 -0.2926829), wk = 0.0034965 k( 140) = ( 0.3048781 0.3048781 -0.3048780), wk = 0.0034965 k( 141) = ( 0.3170732 0.3170732 -0.3170732), wk = 0.0034965 k( 142) = ( 0.3292683 0.3292683 -0.3292683), wk = 0.0034965 k( 143) = ( 0.3414634 0.3414634 -0.3414634), wk = 0.0034965 k( 144) = ( 0.3536585 0.3536585 -0.3536585), wk = 0.0034965 k( 145) = ( 0.3658537 0.3658537 -0.3658537), wk = 0.0034965 k( 146) = ( 0.3780488 0.3780488 -0.3780488), wk = 0.0034965 k( 147) = ( 0.3902439 0.3902439 -0.3902439), wk = 0.0034965 k( 148) = ( 0.4024390 0.4024390 -0.4024390), wk = 0.0034965 k( 149) = ( 0.4146341 0.4146341 -0.4146341), wk = 0.0034965 k( 150) = ( 0.4268293 0.4268293 -0.4268293), wk = 0.0034965 k( 151) = ( 0.4390244 0.4390244 -0.4390244), wk = 0.0034965 k( 152) = ( 0.4512195 0.4512195 -0.4512195), wk = 0.0034965 k( 153) = ( 0.4634146 0.4634146 -0.4634146), wk = 0.0034965 k( 154) = ( 0.4756098 0.4756098 -0.4756098), wk = 0.0034965 k( 155) = ( 0.4878049 0.4878049 -0.4878049), wk = 0.0034965 k( 156) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034965 k( 157) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034965 k( 158) = ( 0.4905066 0.5094933 -0.4905066), wk = 0.0034965 k( 159) = ( 0.4810133 0.5189867 -0.4810133), wk = 0.0034965 k( 160) = ( 0.4715199 0.5284801 -0.4715199), wk = 0.0034965 k( 161) = ( 0.4620266 0.5379734 -0.4620266), wk = 0.0034965 k( 162) = ( 0.4525332 0.5474668 -0.4525332), wk = 0.0034965 k( 163) = ( 0.4430399 0.5569601 -0.4430399), wk = 0.0034965 k( 164) = ( 0.4335465 0.5664535 -0.4335465), wk = 0.0034965 k( 165) = ( 0.4240532 0.5759468 -0.4240532), wk = 0.0034965 k( 166) = ( 0.4240532 0.5759468 -0.4240532), wk = 0.0034965 k( 167) = ( 0.4083475 0.5731340 -0.4083475), wk = 0.0034965 k( 168) = ( 0.3926418 0.5703211 -0.3926418), wk = 0.0034965 k( 169) = ( 0.3769362 0.5675083 -0.3769362), wk = 0.0034965 k( 170) = ( 0.3612305 0.5646954 -0.3612305), wk = 0.0034965 k( 171) = ( 0.3455248 0.5618826 -0.3455248), wk = 0.0034965 k( 172) = ( 0.3298191 0.5590698 -0.3298191), wk = 0.0034965 k( 173) = ( 0.3141135 0.5562569 -0.3141135), wk = 0.0034965 k( 174) = ( 0.2984078 0.5534441 -0.2984078), wk = 0.0034965 k( 175) = ( 0.2827021 0.5506312 -0.2827021), wk = 0.0034965 k( 176) = ( 0.2669964 0.5478184 -0.2669964), wk = 0.0034965 k( 177) = ( 0.2512908 0.5450055 -0.2512908), wk = 0.0034965 k( 178) = ( 0.2355851 0.5421927 -0.2355851), wk = 0.0034965 k( 179) = ( 0.2198794 0.5393798 -0.2198794), wk = 0.0034965 k( 180) = ( 0.2041737 0.5365670 -0.2041737), wk = 0.0034965 k( 181) = ( 0.1884681 0.5337541 -0.1884681), wk = 0.0034965 k( 182) = ( 0.1727624 0.5309413 -0.1727624), wk = 0.0034965 k( 183) = ( 0.1570567 0.5281285 -0.1570567), wk = 0.0034965 k( 184) = ( 0.1413511 0.5253156 -0.1413511), wk = 0.0034965 k( 185) = ( 0.1256454 0.5225028 -0.1256454), wk = 0.0034965 k( 186) = ( 0.1099397 0.5196899 -0.1099397), wk = 0.0034965 k( 187) = ( 0.0942340 0.5168771 -0.0942340), wk = 0.0034965 k( 188) = ( 0.0785284 0.5140642 -0.0785284), wk = 0.0034965 k( 189) = ( 0.0628227 0.5112514 -0.0628227), wk = 0.0034965 k( 190) = ( 0.0471170 0.5084385 -0.0471170), wk = 0.0034965 k( 191) = ( 0.0314113 0.5056257 -0.0314114), wk = 0.0034965 k( 192) = ( 0.0157057 0.5028128 -0.0157057), wk = 0.0034965 k( 193) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034965 k( 194) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034965 k( 195) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0034965 k( 196) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0034965 k( 197) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0034965 k( 198) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0034965 k( 199) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0034965 k( 200) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0034965 k( 201) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0034965 k( 202) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0034965 k( 203) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0034965 k( 204) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0034965 k( 205) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0034965 k( 206) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0034965 k( 207) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0034965 k( 208) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0034965 k( 209) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0034965 k( 210) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0034965 k( 211) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0034965 k( 212) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0034965 k( 213) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0034965 k( 214) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0034965 k( 215) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0034965 k( 216) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0034965 k( 217) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0034965 k( 218) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0034965 k( 219) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034965 k( 220) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034965 k( 221) = ( 0.2578125 0.2578125 0.2313092), wk = 0.0034965 k( 222) = ( 0.2656250 0.2656250 0.2126183), wk = 0.0034965 k( 223) = ( 0.2734375 0.2734375 0.1939275), wk = 0.0034965 k( 224) = ( 0.2812500 0.2812500 0.1752367), wk = 0.0034965 k( 225) = ( 0.2890625 0.2890625 0.1565459), wk = 0.0034965 k( 226) = ( 0.2968750 0.2968750 0.1378551), wk = 0.0034965 k( 227) = ( 0.3046875 0.3046875 0.1191642), wk = 0.0034965 k( 228) = ( 0.3125000 0.3125000 0.1004734), wk = 0.0034965 k( 229) = ( 0.3203125 0.3203125 0.0817826), wk = 0.0034965 k( 230) = ( 0.3281250 0.3281250 0.0630918), wk = 0.0034965 k( 231) = ( 0.3359375 0.3359375 0.0444010), wk = 0.0034965 k( 232) = ( 0.3437500 0.3437500 0.0257101), wk = 0.0034965 k( 233) = ( 0.3515625 0.3515625 0.0070193), wk = 0.0034965 k( 234) = ( 0.3593750 0.3593750 -0.0116715), wk = 0.0034965 k( 235) = ( 0.3671875 0.3671875 -0.0303623), wk = 0.0034965 k( 236) = ( 0.3750000 0.3750000 -0.0490532), wk = 0.0034965 k( 237) = ( 0.3828125 0.3828125 -0.0677440), wk = 0.0034965 k( 238) = ( 0.3906250 0.3906250 -0.0864348), wk = 0.0034965 k( 239) = ( 0.3984375 0.3984375 -0.1051256), wk = 0.0034965 k( 240) = ( 0.4062500 0.4062500 -0.1238165), wk = 0.0034965 k( 241) = ( 0.4140625 0.4140625 -0.1425073), wk = 0.0034965 k( 242) = ( 0.4218750 0.4218750 -0.1611981), wk = 0.0034965 k( 243) = ( 0.4296875 0.4296875 -0.1798889), wk = 0.0034965 k( 244) = ( 0.4375000 0.4375000 -0.1985798), wk = 0.0034965 k( 245) = ( 0.4453125 0.4453125 -0.2172706), wk = 0.0034965 k( 246) = ( 0.4531250 0.4531250 -0.2359614), wk = 0.0034965 k( 247) = ( 0.4609375 0.4609375 -0.2546522), wk = 0.0034965 k( 248) = ( 0.4687500 0.4687500 -0.2733430), wk = 0.0034965 k( 249) = ( 0.4765625 0.4765625 -0.2920339), wk = 0.0034965 k( 250) = ( 0.4843750 0.4843750 -0.3107247), wk = 0.0034965 k( 251) = ( 0.4921875 0.4921875 -0.3294155), wk = 0.0034965 k( 252) = ( 0.5000000 0.5000000 -0.3481063), wk = 0.0034965 k( 253) = ( 0.5000000 0.5000000 -0.3481063), wk = 0.0034965 k( 254) = ( 0.5000000 0.5000000 -0.3619148), wk = 0.0034965 k( 255) = ( 0.5000000 0.5000000 -0.3757234), wk = 0.0034965 k( 256) = ( 0.5000000 0.5000000 -0.3895319), wk = 0.0034965 k( 257) = ( 0.5000000 0.5000000 -0.4033404), wk = 0.0034965 k( 258) = ( 0.5000000 0.5000000 -0.4171489), wk = 0.0034965 k( 259) = ( 0.5000000 0.5000000 -0.4309574), wk = 0.0034965 k( 260) = ( 0.5000000 0.5000000 -0.4447659), wk = 0.0034965 k( 261) = ( 0.5000000 0.5000000 -0.4585744), wk = 0.0034965 k( 262) = ( 0.5000000 0.5000000 -0.4723830), wk = 0.0034965 k( 263) = ( 0.5000000 0.5000000 -0.4861915), wk = 0.0034965 k( 264) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034965 k( 265) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 266) = ( 0.0119048 0.0119048 0.4880952), wk = 0.0034965 k( 267) = ( 0.0238095 0.0238095 0.4761905), wk = 0.0034965 k( 268) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0034965 k( 269) = ( 0.0476191 0.0476190 0.4523810), wk = 0.0034965 k( 270) = ( 0.0595238 0.0595238 0.4404762), wk = 0.0034965 k( 271) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0034965 k( 272) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0034965 k( 273) = ( 0.0952381 0.0952381 0.4047619), wk = 0.0034965 k( 274) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0034965 k( 275) = ( 0.1190476 0.1190476 0.3809524), wk = 0.0034965 k( 276) = ( 0.1309524 0.1309524 0.3690476), wk = 0.0034965 k( 277) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0034965 k( 278) = ( 0.1547619 0.1547619 0.3452381), wk = 0.0034965 k( 279) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0034965 k( 280) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0034965 k( 281) = ( 0.1904762 0.1904762 0.3095238), wk = 0.0034965 k( 282) = ( 0.2023810 0.2023810 0.2976190), wk = 0.0034965 k( 283) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0034965 k( 284) = ( 0.2261905 0.2261905 0.2738095), wk = 0.0034965 k( 285) = ( 0.2380952 0.2380952 0.2619048), wk = 0.0034965 k( 286) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034965 Dense grid: 55925 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 46795 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 338, 62) NL pseudopotentials 0.32 Mb ( 169, 124) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1553) G-vector shells 0.01 Mb ( 684) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 338, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.23 Mb ( 124, 2, 62) The potential is recalculated from file : ./PbSe2.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 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 7.2 secs Computing kpt #: 10 total cpu time spent up to now is 7.8 secs Computing kpt #: 11 total cpu time spent up to now is 8.5 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 9.8 secs Computing kpt #: 14 total cpu time spent up to now is 10.4 secs Computing kpt #: 15 total cpu time spent up to now is 11.1 secs Computing kpt #: 16 total cpu time spent up to now is 11.8 secs Computing kpt #: 17 total cpu time spent up to now is 12.4 secs Computing kpt #: 18 total cpu time spent up to now is 13.1 secs Computing kpt #: 19 total cpu time spent up to now is 13.8 secs Computing kpt #: 20 total cpu time spent up to now is 14.4 secs Computing kpt #: 21 total cpu time spent up to now is 15.1 secs Computing kpt #: 22 total cpu time spent up to now is 15.8 secs Computing kpt #: 23 total cpu time spent up to now is 16.5 secs Computing kpt #: 24 total cpu time spent up to now is 17.2 secs Computing kpt #: 25 total cpu time spent up to now is 17.9 secs Computing kpt #: 26 total cpu time spent up to now is 18.6 secs Computing kpt #: 27 total cpu time spent up to now is 19.2 secs Computing kpt #: 28 total cpu time spent up to now is 19.9 secs Computing kpt #: 29 total cpu time spent up to now is 20.5 secs Computing kpt #: 30 total cpu time spent up to now is 21.1 secs Computing kpt #: 31 total cpu time spent up to now is 21.7 secs Computing kpt #: 32 total cpu time spent up to now is 22.3 secs Computing kpt #: 33 total cpu time spent up to now is 22.9 secs Computing kpt #: 34 total cpu time spent up to now is 23.5 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 24.7 secs Computing kpt #: 37 total cpu time spent up to now is 25.3 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 26.5 secs Computing kpt #: 40 total cpu time spent up to now is 27.1 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 28.3 secs Computing kpt #: 43 total cpu time spent up to now is 28.9 secs Computing kpt #: 44 total cpu time spent up to now is 29.5 secs Computing kpt #: 45 total cpu time spent up to now is 30.1 secs Computing kpt #: 46 total cpu time spent up to now is 30.7 secs Computing kpt #: 47 total cpu time spent up to now is 31.4 secs Computing kpt #: 48 total cpu time spent up to now is 32.0 secs Computing kpt #: 49 total cpu time spent up to now is 32.6 secs Computing kpt #: 50 total cpu time spent up to now is 33.2 secs Computing kpt #: 51 total cpu time spent up to now is 33.9 secs Computing kpt #: 52 total cpu time spent up to now is 34.5 secs Computing kpt #: 53 total cpu time spent up to now is 35.1 secs Computing kpt #: 54 total cpu time spent up to now is 35.8 secs Computing kpt #: 55 total cpu time spent up to now is 36.5 secs Computing kpt #: 56 total cpu time spent up to now is 37.1 secs Computing kpt #: 57 total cpu time spent up to now is 37.9 secs Computing kpt #: 58 total cpu time spent up to now is 38.5 secs Computing kpt #: 59 total cpu time spent up to now is 39.2 secs Computing kpt #: 60 total cpu time spent up to now is 39.8 secs Computing kpt #: 61 total cpu time spent up to now is 40.5 secs Computing kpt #: 62 total cpu time spent up to now is 41.1 secs Computing kpt #: 63 total cpu time spent up to now is 41.8 secs Computing kpt #: 64 total cpu time spent up to now is 42.4 secs Computing kpt #: 65 total cpu time spent up to now is 43.1 secs Computing kpt #: 66 total cpu time spent up to now is 43.7 secs Computing kpt #: 67 total cpu time spent up to now is 44.4 secs Computing kpt #: 68 total cpu time spent up to now is 45.0 secs Computing kpt #: 69 total cpu time spent up to now is 45.7 secs Computing kpt #: 70 total cpu time spent up to now is 46.3 secs Computing kpt #: 71 total cpu time spent up to now is 47.0 secs Computing kpt #: 72 total cpu time spent up to now is 47.6 secs Computing kpt #: 73 total cpu time spent up to now is 48.3 secs Computing kpt #: 74 total cpu time spent up to now is 48.9 secs Computing kpt #: 75 total cpu time spent up to now is 49.5 secs Computing kpt #: 76 total cpu time spent up to now is 50.2 secs Computing kpt #: 77 total cpu time spent up to now is 50.8 secs Computing kpt #: 78 total cpu time spent up to now is 51.5 secs Computing kpt #: 79 total cpu time spent up to now is 52.1 secs Computing kpt #: 80 total cpu time spent up to now is 52.7 secs Computing kpt #: 81 total cpu time spent up to now is 53.4 secs Computing kpt #: 82 total cpu time spent up to now is 54.0 secs Computing kpt #: 83 total cpu time spent up to now is 54.7 secs Computing kpt #: 84 total cpu time spent up to now is 55.3 secs Computing kpt #: 85 total cpu time spent up to now is 56.0 secs Computing kpt #: 86 total cpu time spent up to now is 56.6 secs Computing kpt #: 87 total cpu time spent up to now is 57.3 secs Computing kpt #: 88 total cpu time spent up to now is 57.9 secs Computing kpt #: 89 total cpu time spent up to now is 58.6 secs Computing kpt #: 90 total cpu time spent up to now is 59.2 secs Computing kpt #: 91 total cpu time spent up to now is 59.9 secs Computing kpt #: 92 total cpu time spent up to now is 60.6 secs Computing kpt #: 93 total cpu time spent up to now is 61.2 secs Computing kpt #: 94 total cpu time spent up to now is 61.9 secs Computing kpt #: 95 total cpu time spent up to now is 62.6 secs Computing kpt #: 96 total cpu time spent up to now is 63.4 secs Computing kpt #: 97 total cpu time spent up to now is 64.2 secs Computing kpt #: 98 total cpu time spent up to now is 64.9 secs Computing kpt #: 99 total cpu time spent up to now is 65.6 secs Computing kpt #: 100 total cpu time spent up to now is 66.3 secs Computing kpt #: 101 total cpu time spent up to now is 66.9 secs Computing kpt #: 102 total cpu time spent up to now is 67.6 secs Computing kpt #: 103 total cpu time spent up to now is 68.2 secs Computing kpt #: 104 total cpu time spent up to now is 68.9 secs Computing kpt #: 105 total cpu time spent up to now is 69.5 secs Computing kpt #: 106 total cpu time spent up to now is 70.1 secs Computing kpt #: 107 total cpu time spent up to now is 70.8 secs Computing kpt #: 108 total cpu time spent up to now is 71.4 secs Computing kpt #: 109 total cpu time spent up to now is 72.0 secs Computing kpt #: 110 total cpu time spent up to now is 72.7 secs Computing kpt #: 111 total cpu time spent up to now is 73.3 secs Computing kpt #: 112 total cpu time spent up to now is 73.9 secs Computing kpt #: 113 total cpu time spent up to now is 74.6 secs Computing kpt #: 114 total cpu time spent up to now is 75.2 secs Computing kpt #: 115 total cpu time spent up to now is 75.8 secs Computing kpt #: 116 total cpu time spent up to now is 76.4 secs Computing kpt #: 117 total cpu time spent up to now is 77.0 secs Computing kpt #: 118 total cpu time spent up to now is 77.6 secs Computing kpt #: 119 total cpu time spent up to now is 78.2 secs Computing kpt #: 120 total cpu time spent up to now is 78.7 secs Computing kpt #: 121 total cpu time spent up to now is 79.3 secs Computing kpt #: 122 total cpu time spent up to now is 79.9 secs Computing kpt #: 123 total cpu time spent up to now is 80.5 secs Computing kpt #: 124 total cpu time spent up to now is 81.1 secs Computing kpt #: 125 total cpu time spent up to now is 81.7 secs Computing kpt #: 126 total cpu time spent up to now is 82.4 secs Computing kpt #: 127 total cpu time spent up to now is 83.0 secs Computing kpt #: 128 total cpu time spent up to now is 83.6 secs Computing kpt #: 129 total cpu time spent up to now is 84.2 secs Computing kpt #: 130 total cpu time spent up to now is 84.9 secs Computing kpt #: 131 total cpu time spent up to now is 85.5 secs Computing kpt #: 132 total cpu time spent up to now is 86.1 secs Computing kpt #: 133 total cpu time spent up to now is 86.7 secs Computing kpt #: 134 total cpu time spent up to now is 87.3 secs Computing kpt #: 135 total cpu time spent up to now is 87.9 secs Computing kpt #: 136 total cpu time spent up to now is 88.5 secs Computing kpt #: 137 total cpu time spent up to now is 89.1 secs Computing kpt #: 138 total cpu time spent up to now is 89.7 secs Computing kpt #: 139 total cpu time spent up to now is 90.3 secs Computing kpt #: 140 total cpu time spent up to now is 90.9 secs Computing kpt #: 141 total cpu time spent up to now is 91.5 secs Computing kpt #: 142 total cpu time spent up to now is 92.1 secs Computing kpt #: 143 total cpu time spent up to now is 92.7 secs Computing kpt #: 144 total cpu time spent up to now is 93.3 secs Computing kpt #: 145 total cpu time spent up to now is 93.9 secs Computing kpt #: 146 total cpu time spent up to now is 94.6 secs Computing kpt #: 147 total cpu time spent up to now is 95.2 secs Computing kpt #: 148 total cpu time spent up to now is 96.0 secs Computing kpt #: 149 total cpu time spent up to now is 96.8 secs Computing kpt #: 150 total cpu time spent up to now is 97.6 secs Computing kpt #: 151 total cpu time spent up to now is 98.2 secs Computing kpt #: 152 total cpu time spent up to now is 98.8 secs Computing kpt #: 153 total cpu time spent up to now is 99.4 secs Computing kpt #: 154 total cpu time spent up to now is 100.0 secs Computing kpt #: 155 total cpu time spent up to now is 100.6 secs Computing kpt #: 156 total cpu time spent up to now is 101.2 secs Computing kpt #: 157 total cpu time spent up to now is 102.0 secs Computing kpt #: 158 total cpu time spent up to now is 102.9 secs Computing kpt #: 159 total cpu time spent up to now is 103.6 secs Computing kpt #: 160 total cpu time spent up to now is 104.3 secs Computing kpt #: 161 total cpu time spent up to now is 105.0 secs Computing kpt #: 162 total cpu time spent up to now is 105.7 secs Computing kpt #: 163 total cpu time spent up to now is 106.4 secs Computing kpt #: 164 total cpu time spent up to now is 107.1 secs Computing kpt #: 165 total cpu time spent up to now is 107.7 secs Computing kpt #: 166 total cpu time spent up to now is 108.4 secs Computing kpt #: 167 total cpu time spent up to now is 109.0 secs Computing kpt #: 168 total cpu time spent up to now is 109.7 secs Computing kpt #: 169 total cpu time spent up to now is 110.3 secs Computing kpt #: 170 total cpu time spent up to now is 111.0 secs Computing kpt #: 171 total cpu time spent up to now is 111.6 secs Computing kpt #: 172 total cpu time spent up to now is 112.3 secs Computing kpt #: 173 total cpu time spent up to now is 112.9 secs Computing kpt #: 174 total cpu time spent up to now is 113.6 secs Computing kpt #: 175 total cpu time spent up to now is 114.2 secs Computing kpt #: 176 total cpu time spent up to now is 114.9 secs Computing kpt #: 177 total cpu time spent up to now is 115.5 secs Computing kpt #: 178 total cpu time spent up to now is 116.2 secs Computing kpt #: 179 total cpu time spent up to now is 116.8 secs Computing kpt #: 180 total cpu time spent up to now is 117.5 secs Computing kpt #: 181 total cpu time spent up to now is 118.1 secs Computing kpt #: 182 total cpu time spent up to now is 118.8 secs Computing kpt #: 183 total cpu time spent up to now is 119.5 secs Computing kpt #: 184 total cpu time spent up to now is 120.1 secs Computing kpt #: 185 total cpu time spent up to now is 120.8 secs Computing kpt #: 186 total cpu time spent up to now is 121.4 secs Computing kpt #: 187 total cpu time spent up to now is 122.1 secs Computing kpt #: 188 total cpu time spent up to now is 122.8 secs Computing kpt #: 189 total cpu time spent up to now is 123.4 secs Computing kpt #: 190 total cpu time spent up to now is 124.1 secs Computing kpt #: 191 total cpu time spent up to now is 124.8 secs Computing kpt #: 192 total cpu time spent up to now is 125.4 secs Computing kpt #: 193 total cpu time spent up to now is 126.2 secs Computing kpt #: 194 total cpu time spent up to now is 126.9 secs Computing kpt #: 195 total cpu time spent up to now is 127.6 secs Computing kpt #: 196 total cpu time spent up to now is 128.4 secs Computing kpt #: 197 total cpu time spent up to now is 129.2 secs Computing kpt #: 198 total cpu time spent up to now is 130.0 secs Computing kpt #: 199 total cpu time spent up to now is 130.7 secs Computing kpt #: 200 total cpu time spent up to now is 131.5 secs Computing kpt #: 201 total cpu time spent up to now is 132.3 secs Computing kpt #: 202 total cpu time spent up to now is 132.9 secs Computing kpt #: 203 total cpu time spent up to now is 133.6 secs Computing kpt #: 204 total cpu time spent up to now is 134.3 secs Computing kpt #: 205 total cpu time spent up to now is 134.9 secs Computing kpt #: 206 total cpu time spent up to now is 135.6 secs Computing kpt #: 207 total cpu time spent up to now is 136.2 secs Computing kpt #: 208 total cpu time spent up to now is 136.9 secs Computing kpt #: 209 total cpu time spent up to now is 137.5 secs Computing kpt #: 210 total cpu time spent up to now is 138.2 secs Computing kpt #: 211 total cpu time spent up to now is 138.8 secs Computing kpt #: 212 total cpu time spent up to now is 139.5 secs Computing kpt #: 213 total cpu time spent up to now is 140.1 secs Computing kpt #: 214 total cpu time spent up to now is 140.8 secs Computing kpt #: 215 total cpu time spent up to now is 141.4 secs Computing kpt #: 216 total cpu time spent up to now is 142.1 secs Computing kpt #: 217 total cpu time spent up to now is 142.8 secs Computing kpt #: 218 total cpu time spent up to now is 143.5 secs Computing kpt #: 219 total cpu time spent up to now is 144.1 secs Computing kpt #: 220 total cpu time spent up to now is 144.8 secs Computing kpt #: 221 total cpu time spent up to now is 145.5 secs Computing kpt #: 222 total cpu time spent up to now is 146.2 secs Computing kpt #: 223 total cpu time spent up to now is 146.9 secs Computing kpt #: 224 total cpu time spent up to now is 147.6 secs Computing kpt #: 225 total cpu time spent up to now is 148.3 secs Computing kpt #: 226 total cpu time spent up to now is 149.0 secs Computing kpt #: 227 total cpu time spent up to now is 149.7 secs Computing kpt #: 228 total cpu time spent up to now is 150.4 secs Computing kpt #: 229 total cpu time spent up to now is 151.1 secs Computing kpt #: 230 total cpu time spent up to now is 151.8 secs Computing kpt #: 231 total cpu time spent up to now is 152.4 secs Computing kpt #: 232 total cpu time spent up to now is 153.1 secs Computing kpt #: 233 total cpu time spent up to now is 153.8 secs Computing kpt #: 234 total cpu time spent up to now is 154.5 secs Computing kpt #: 235 total cpu time spent up to now is 155.1 secs Computing kpt #: 236 total cpu time spent up to now is 155.8 secs Computing kpt #: 237 total cpu time spent up to now is 156.4 secs Computing kpt #: 238 total cpu time spent up to now is 157.1 secs Computing kpt #: 239 total cpu time spent up to now is 157.7 secs Computing kpt #: 240 total cpu time spent up to now is 158.4 secs Computing kpt #: 241 total cpu time spent up to now is 159.1 secs Computing kpt #: 242 total cpu time spent up to now is 159.7 secs Computing kpt #: 243 total cpu time spent up to now is 160.5 secs Computing kpt #: 244 total cpu time spent up to now is 161.3 secs Computing kpt #: 245 total cpu time spent up to now is 162.0 secs Computing kpt #: 246 total cpu time spent up to now is 162.7 secs Computing kpt #: 247 total cpu time spent up to now is 163.5 secs Computing kpt #: 248 total cpu time spent up to now is 164.1 secs Computing kpt #: 249 total cpu time spent up to now is 164.8 secs Computing kpt #: 250 total cpu time spent up to now is 165.5 secs Computing kpt #: 251 total cpu time spent up to now is 166.1 secs Computing kpt #: 252 total cpu time spent up to now is 166.8 secs Computing kpt #: 253 total cpu time spent up to now is 167.4 secs Computing kpt #: 254 total cpu time spent up to now is 168.0 secs Computing kpt #: 255 total cpu time spent up to now is 168.7 secs Computing kpt #: 256 total cpu time spent up to now is 169.3 secs Computing kpt #: 257 total cpu time spent up to now is 170.0 secs Computing kpt #: 258 total cpu time spent up to now is 170.7 secs Computing kpt #: 259 total cpu time spent up to now is 171.4 secs Computing kpt #: 260 total cpu time spent up to now is 172.2 secs Computing kpt #: 261 total cpu time spent up to now is 172.9 secs Computing kpt #: 262 total cpu time spent up to now is 173.6 secs Computing kpt #: 263 total cpu time spent up to now is 174.3 secs Computing kpt #: 264 total cpu time spent up to now is 174.9 secs Computing kpt #: 265 total cpu time spent up to now is 175.5 secs Computing kpt #: 266 total cpu time spent up to now is 176.1 secs Computing kpt #: 267 total cpu time spent up to now is 176.7 secs Computing kpt #: 268 total cpu time spent up to now is 177.3 secs Computing kpt #: 269 total cpu time spent up to now is 177.9 secs Computing kpt #: 270 total cpu time spent up to now is 178.5 secs Computing kpt #: 271 total cpu time spent up to now is 179.1 secs Computing kpt #: 272 total cpu time spent up to now is 179.7 secs Computing kpt #: 273 total cpu time spent up to now is 180.3 secs Computing kpt #: 274 total cpu time spent up to now is 181.0 secs Computing kpt #: 275 total cpu time spent up to now is 181.6 secs Computing kpt #: 276 total cpu time spent up to now is 182.2 secs Computing kpt #: 277 total cpu time spent up to now is 182.9 secs Computing kpt #: 278 total cpu time spent up to now is 183.5 secs Computing kpt #: 279 total cpu time spent up to now is 184.2 secs Computing kpt #: 280 total cpu time spent up to now is 184.9 secs Computing kpt #: 281 total cpu time spent up to now is 185.5 secs Computing kpt #: 282 total cpu time spent up to now is 186.2 secs Computing kpt #: 283 total cpu time spent up to now is 186.9 secs Computing kpt #: 284 total cpu time spent up to now is 187.6 secs Computing kpt #: 285 total cpu time spent up to now is 188.3 secs Computing kpt #: 286 total cpu time spent up to now is 189.1 secs ethr = 1.92E-08, avg # of iterations = 18.3 total cpu time spent up to now is 189.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5907 PWs) bands (ev): -10.3178 -10.3178 -10.3129 -10.3129 -10.2944 -10.2944 -10.2940 -10.2940 -7.8117 -7.8117 -7.7824 -7.7824 -7.7544 -7.7544 -7.7381 -7.7381 -7.7185 -7.7185 -7.7138 -7.7138 -7.1485 -7.1485 -6.0469 -6.0469 -3.4404 -3.4404 -3.4144 -3.4144 -0.2757 -0.2757 0.6219 0.6219 3.1414 3.1414 3.4403 3.4403 3.7598 3.7598 3.8598 3.8598 4.5215 4.5215 4.6755 4.6755 5.0417 5.0417 5.0487 5.0487 5.1482 5.1482 8.0090 8.0090 10.0311 10.0311 10.6696 10.6696 10.6937 10.6937 11.6547 11.6547 11.8667 11.8667 k = 0.0000 0.0000 0.0187 ( 5903 PWs) bands (ev): -10.3178 -10.3178 -10.3129 -10.3129 -10.2944 -10.2944 -10.2940 -10.2940 -7.8117 -7.8117 -7.7824 -7.7824 -7.7544 -7.7544 -7.7381 -7.7381 -7.7185 -7.7185 -7.7138 -7.7138 -7.1477 -7.1477 -6.0474 -6.0474 -3.4411 -3.4411 -3.4151 -3.4151 -0.2757 -0.2757 0.6205 0.6205 3.1350 3.1350 3.4361 3.4361 3.7700 3.7700 3.8685 3.8685 4.4995 4.4995 4.6946 4.6946 5.0450 5.0450 5.0552 5.0552 5.1457 5.1457 8.0017 8.0017 10.0338 10.0338 10.6675 10.6675 10.6898 10.6898 11.6507 11.6507 11.8604 11.8604 k = 0.0000 0.0000 0.0375 ( 5899 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2943 -10.2943 -10.2940 -10.2940 -7.8119 -7.8119 -7.7823 -7.7823 -7.7543 -7.7543 -7.7381 -7.7381 -7.7186 -7.7186 -7.7138 -7.7138 -7.1452 -7.1452 -6.0487 -6.0487 -3.4430 -3.4430 -3.4171 -3.4171 -0.2757 -0.2757 0.6162 0.6162 3.1172 3.1172 3.4245 3.4245 3.7985 3.7985 3.8939 3.8939 4.4515 4.4515 4.7342 4.7342 5.0490 5.0490 5.0794 5.0794 5.1389 5.1389 7.9800 7.9800 10.0417 10.0417 10.6588 10.6588 10.6801 10.6801 11.6385 11.6385 11.8431 11.8431 k = 0.0000 0.0000 0.0562 ( 5887 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2943 -10.2943 -10.2940 -10.2940 -7.8121 -7.8121 -7.7823 -7.7823 -7.7540 -7.7540 -7.7382 -7.7382 -7.7187 -7.7187 -7.7138 -7.7138 -7.1411 -7.1411 -6.0510 -6.0510 -3.4463 -3.4463 -3.4205 -3.4205 -0.2757 -0.2757 0.6091 0.6091 3.0914 3.0914 3.4079 3.4079 3.8401 3.8401 3.9343 3.9343 4.3960 4.3960 4.7780 4.7780 5.0542 5.0542 5.1104 5.1104 5.1371 5.1371 7.9448 7.9448 10.0537 10.0537 10.6374 10.6374 10.6711 10.6711 11.6183 11.6183 11.8188 11.8188 k = 0.0000 0.0000 0.0749 ( 5887 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2942 -10.2942 -10.2940 -10.2940 -7.8124 -7.8124 -7.7823 -7.7823 -7.7537 -7.7537 -7.7384 -7.7384 -7.7188 -7.7188 -7.7139 -7.7139 -7.1354 -7.1354 -6.0541 -6.0541 -3.4512 -3.4512 -3.4251 -3.4251 -0.2754 -0.2754 0.5994 0.5994 3.0613 3.0613 3.3890 3.3890 3.8889 3.8889 3.9865 3.9865 4.3417 4.3417 4.8213 4.8213 5.0602 5.0602 5.1059 5.1059 5.1812 5.1812 7.8973 7.8973 10.0684 10.0684 10.6025 10.6025 10.6637 10.6637 11.5899 11.5899 11.7924 11.7924 k = 0.0000 0.0000 0.0936 ( 5877 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2942 -10.2942 -10.2940 -10.2940 -7.8129 -7.8129 -7.7822 -7.7822 -7.7532 -7.7532 -7.7385 -7.7385 -7.7190 -7.7190 -7.7140 -7.7140 -7.1280 -7.1280 -6.0580 -6.0580 -3.4579 -3.4579 -3.4305 -3.4305 -0.2747 -0.2747 0.5872 0.5872 3.0300 3.0300 3.3694 3.3694 3.9392 3.9392 4.0447 4.0447 4.2974 4.2974 4.8617 4.8617 5.0643 5.0643 5.0955 5.0955 5.2444 5.2444 7.8389 7.8389 10.0842 10.0842 10.5558 10.5558 10.6564 10.6564 11.5526 11.5526 11.7685 11.7685 k = 0.0000 0.0000 0.1124 ( 5871 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2941 -10.2941 -10.2940 -10.2940 -7.8134 -7.8134 -7.7821 -7.7821 -7.7527 -7.7527 -7.7387 -7.7387 -7.7192 -7.7192 -7.7141 -7.7141 -7.1191 -7.1191 -6.0627 -6.0627 -3.4667 -3.4667 -3.4367 -3.4367 -0.2733 -0.2733 0.5727 0.5727 2.9997 2.9997 3.3507 3.3507 3.9816 3.9816 4.0965 4.0965 4.2816 4.2816 4.8936 4.8936 5.0634 5.0634 5.0980 5.0980 5.3154 5.3154 7.7714 7.7714 10.0996 10.0996 10.4981 10.4981 10.6489 10.6489 11.5063 11.5063 11.7506 11.7506 k = 0.0000 0.0000 0.1311 ( 5857 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2941 -10.2941 -10.2940 -10.2940 -7.8141 -7.8141 -7.7820 -7.7820 -7.7522 -7.7522 -7.7389 -7.7389 -7.7194 -7.7194 -7.7142 -7.7142 -7.1086 -7.1086 -6.0681 -6.0681 -3.4779 -3.4779 -3.4433 -3.4433 -0.2711 -0.2711 0.5560 0.5560 2.9718 2.9718 3.3335 3.3335 3.9958 3.9958 4.1376 4.1376 4.3169 4.3169 4.9044 4.9044 5.0737 5.0737 5.1117 5.1117 5.3917 5.3917 7.6962 7.6962 10.1132 10.1132 10.4301 10.4301 10.6411 10.6411 11.4515 11.4515 11.7407 11.7407 k = 0.0000 0.0000 0.1498 ( 5857 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2942 -10.2942 -10.2939 -10.2939 -7.8148 -7.8148 -7.7820 -7.7820 -7.7515 -7.7515 -7.7391 -7.7391 -7.7196 -7.7196 -7.7143 -7.7143 -7.0967 -7.0967 -6.0742 -6.0742 -3.4916 -3.4916 -3.4503 -3.4503 -0.2677 -0.2677 0.5375 0.5375 2.9473 2.9473 3.3184 3.3184 3.9711 3.9711 4.1888 4.1888 4.3910 4.3910 4.8878 4.8878 5.1037 5.1037 5.1357 5.1357 5.4715 5.4715 7.6148 7.6148 10.1241 10.1241 10.3528 10.3528 10.6331 10.6331 11.3895 11.3895 11.7384 11.7384 k = 0.0000 0.0000 0.1685 ( 5849 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2942 -10.2942 -10.2937 -10.2937 -7.8156 -7.8156 -7.7819 -7.7819 -7.7508 -7.7508 -7.7393 -7.7393 -7.7199 -7.7199 -7.7145 -7.7145 -7.0832 -7.0832 -6.0808 -6.0808 -3.5079 -3.5079 -3.4576 -3.4576 -0.2628 -0.2628 0.5173 0.5173 2.9267 2.9267 3.3059 3.3059 3.9257 3.9257 4.2516 4.2516 4.4821 4.4821 4.8532 4.8532 5.1335 5.1335 5.1817 5.1817 5.5536 5.5536 7.5286 7.5286 10.1311 10.1311 10.2683 10.2683 10.6249 10.6249 11.3218 11.3218 11.7415 11.7415 k = 0.0000 0.0000 0.1873 ( 5847 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2942 -10.2942 -10.2936 -10.2936 -7.8165 -7.8165 -7.7817 -7.7817 -7.7500 -7.7500 -7.7395 -7.7395 -7.7202 -7.7202 -7.7147 -7.7147 -7.0684 -7.0684 -6.0880 -6.0880 -3.5267 -3.5267 -3.4652 -3.4652 -0.2563 -0.2563 0.4958 0.4958 2.9103 2.9103 3.2960 3.2960 3.8730 3.8730 4.3199 4.3199 4.5808 4.5808 4.8097 4.8097 5.1586 5.1586 5.2465 5.2465 5.6372 5.6372 7.4388 7.4388 10.1280 10.1280 10.1843 10.1843 10.6161 10.6161 11.2500 11.2500 11.7451 11.7451 k = 0.0000 0.0000 0.2060 ( 5849 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2943 -10.2943 -10.2935 -10.2935 -7.8175 -7.8175 -7.7816 -7.7816 -7.7492 -7.7492 -7.7397 -7.7397 -7.7205 -7.7205 -7.7149 -7.7149 -7.0522 -7.0522 -6.0956 -6.0956 -3.5479 -3.5479 -3.4732 -3.4732 -0.2478 -0.2478 0.4731 0.4731 2.8983 2.8983 3.2890 3.2890 3.8181 3.8181 4.3892 4.3892 4.6828 4.6828 4.7631 4.7631 5.1846 5.1846 5.3215 5.3215 5.7215 5.7215 7.3465 7.3465 10.0653 10.0653 10.1522 10.1522 10.6066 10.6066 11.1753 11.1753 11.7414 11.7414 k = 0.0000 0.0000 0.2247 ( 5865 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2944 -10.2944 -10.2933 -10.2933 -7.8185 -7.8185 -7.7815 -7.7815 -7.7484 -7.7484 -7.7398 -7.7398 -7.7208 -7.7208 -7.7151 -7.7151 -7.0348 -7.0348 -6.1036 -6.1036 -3.5716 -3.5716 -3.4815 -3.4815 -0.2371 -0.2371 0.4495 0.4495 2.8906 2.8906 3.2848 3.2848 3.7631 3.7631 4.4529 4.4529 4.7198 4.7198 4.7865 4.7865 5.2132 5.2132 5.4037 5.4037 5.8059 5.8059 7.2528 7.2528 9.9679 9.9679 10.1497 10.1497 10.5962 10.5962 11.0990 11.0990 11.7211 11.7211 k = 0.0000 0.0000 0.2434 ( 5857 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2944 -10.2944 -10.2932 -10.2932 -7.8197 -7.8197 -7.7814 -7.7814 -7.7475 -7.7475 -7.7400 -7.7400 -7.7211 -7.7211 -7.7153 -7.7153 -7.0162 -7.0162 -6.1118 -6.1118 -3.5977 -3.5977 -3.4901 -3.4901 -0.2242 -0.2242 0.4253 0.4253 2.8872 2.8872 3.2834 3.2834 3.7091 3.7091 4.4934 4.4934 4.6991 4.6991 4.8882 4.8882 5.2454 5.2454 5.4918 5.4918 5.8898 5.8898 7.1586 7.1586 9.8662 9.8662 10.1485 10.1485 10.5846 10.5846 11.0219 11.0219 11.6794 11.6794 k = 0.0000 0.0000 0.2622 ( 5859 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2945 -10.2945 -10.2931 -10.2931 -7.8209 -7.8209 -7.7813 -7.7813 -7.7466 -7.7466 -7.7401 -7.7401 -7.7214 -7.7214 -7.7155 -7.7155 -6.9965 -6.9965 -6.1203 -6.1203 -3.6260 -3.6260 -3.4989 -3.4989 -0.2088 -0.2088 0.4007 0.4007 2.8879 2.8879 3.2849 3.2849 3.6566 3.6566 4.4856 4.4856 4.7255 4.7255 4.9865 4.9865 5.2823 5.2823 5.5851 5.5851 5.9727 5.9727 7.0650 7.0650 9.7642 9.7642 10.1468 10.1468 10.5714 10.5714 10.9448 10.9448 11.6195 11.6195 k = 0.0000 0.0000 0.2809 ( 5859 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2945 -10.2945 -10.2929 -10.2929 -7.8222 -7.8222 -7.7812 -7.7812 -7.7457 -7.7457 -7.7402 -7.7402 -7.7218 -7.7218 -7.7157 -7.7157 -6.9758 -6.9758 -6.1288 -6.1288 -3.6563 -3.6563 -3.5079 -3.5079 -0.1908 -0.1908 0.3760 0.3760 2.8925 2.8925 3.2889 3.2889 3.6061 3.6061 4.4406 4.4406 4.7877 4.7877 5.0786 5.0786 5.3256 5.3256 5.6829 5.6829 6.0540 6.0540 6.9729 6.9729 9.6641 9.6641 10.1445 10.1445 10.5560 10.5560 10.8686 10.8686 11.5471 11.5471 k = 0.0000 0.0000 0.2996 ( 5867 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2946 -10.2946 -10.2928 -10.2928 -7.8235 -7.8235 -7.7811 -7.7811 -7.7449 -7.7449 -7.7403 -7.7403 -7.7221 -7.7221 -7.7159 -7.7159 -6.9542 -6.9542 -6.1374 -6.1374 -3.6885 -3.6885 -3.5171 -3.5171 -0.1704 -0.1704 0.3513 0.3513 2.9006 2.9006 3.2953 3.2953 3.5579 3.5579 4.3810 4.3810 4.8631 4.8631 5.1614 5.1614 5.3771 5.3771 5.7848 5.7848 6.1330 6.1330 6.8836 6.8836 9.5678 9.5678 10.1417 10.1417 10.5375 10.5375 10.7945 10.7945 11.4670 11.4670 k = 0.0000 0.0000 0.3183 ( 5857 PWs) bands (ev): -10.3180 -10.3180 -10.3129 -10.3129 -10.2946 -10.2946 -10.2927 -10.2927 -7.8248 -7.8248 -7.7810 -7.7810 -7.7440 -7.7440 -7.7403 -7.7403 -7.7225 -7.7225 -7.7161 -7.7161 -6.9319 -6.9319 -6.1460 -6.1460 -3.7224 -3.7224 -3.5263 -3.5263 -0.1476 -0.1476 0.3268 0.3268 2.9118 2.9118 3.3037 3.3037 3.5127 3.5127 4.3156 4.3156 4.9423 4.9423 5.2334 5.2334 5.4374 5.4374 5.8900 5.8900 6.2090 6.2090 6.7986 6.7986 9.4768 9.4768 10.1383 10.1383 10.5135 10.5135 10.7245 10.7245 11.3827 11.3827 k = 0.0000 0.0000 0.3371 ( 5853 PWs) bands (ev): -10.3180 -10.3180 -10.3129 -10.3129 -10.2947 -10.2947 -10.2926 -10.2926 -7.8262 -7.8262 -7.7809 -7.7809 -7.7432 -7.7432 -7.7402 -7.7402 -7.7228 -7.7228 -7.7163 -7.7163 -6.9090 -6.9090 -6.1544 -6.1544 -3.7576 -3.7576 -3.5355 -3.5355 -0.1224 -0.1224 0.3027 0.3027 2.9259 2.9259 3.3130 3.3130 3.4712 3.4712 4.2478 4.2478 5.0210 5.0210 5.2957 5.2957 5.5045 5.5045 5.9978 5.9978 6.2805 6.2805 6.7204 6.7204 9.3927 9.3927 10.1339 10.1339 10.4802 10.4802 10.6626 10.6626 11.2971 11.2971 k = 0.0000 0.0000 0.3558 ( 5845 PWs) bands (ev): -10.3180 -10.3180 -10.3129 -10.3129 -10.2947 -10.2947 -10.2924 -10.2924 -7.8276 -7.8276 -7.7807 -7.7807 -7.7424 -7.7424 -7.7401 -7.7401 -7.7232 -7.7232 -7.7164 -7.7164 -6.8857 -6.8857 -6.1627 -6.1627 -3.7939 -3.7939 -3.5446 -3.5446 -0.0951 -0.0951 0.2793 0.2793 2.9422 2.9422 3.3209 3.3209 3.4358 3.4358 4.1796 4.1796 5.0963 5.0963 5.3517 5.3517 5.5739 5.5739 6.1073 6.1073 6.3447 6.3447 6.6536 6.6536 9.3170 9.3170 10.1273 10.1273 10.4332 10.4332 10.6135 10.6135 11.2128 11.2128 k = 0.0000 0.0000 0.3745 ( 5835 PWs) bands (ev): -10.3180 -10.3180 -10.3128 -10.3128 -10.2947 -10.2947 -10.2923 -10.2923 -7.8290 -7.8290 -7.7806 -7.7806 -7.7417 -7.7417 -7.7399 -7.7399 -7.7235 -7.7235 -7.7165 -7.7165 -6.8621 -6.8621 -6.1707 -6.1707 -3.8310 -3.8310 -3.5536 -3.5536 -0.0659 -0.0659 0.2565 0.2565 2.9602 2.9602 3.3217 3.3217 3.4121 3.4121 4.1120 4.1120 5.1658 5.1658 5.4044 5.4044 5.6416 5.6416 6.2167 6.2167 6.3937 6.3937 6.6085 6.6085 9.2510 9.2510 10.1157 10.1157 10.3733 10.3733 10.5782 10.5782 11.1321 11.1321 k = 0.0000 0.0000 0.3932 ( 5821 PWs) bands (ev): -10.3180 -10.3180 -10.3128 -10.3128 -10.2948 -10.2948 -10.2922 -10.2922 -7.8304 -7.8304 -7.7805 -7.7805 -7.7411 -7.7411 -7.7397 -7.7397 -7.7239 -7.7239 -7.7166 -7.7166 -6.8384 -6.8384 -6.1784 -6.1784 -3.8684 -3.8684 -3.5624 -3.5624 -0.0351 -0.0351 0.2347 0.2347 2.9792 2.9792 3.3078 3.3078 3.4076 3.4076 4.0462 4.0462 5.2275 5.2275 5.4547 5.4547 5.7043 5.7043 6.3221 6.3221 6.4130 6.4130 6.6055 6.6055 9.1958 9.1958 10.0926 10.0926 10.3105 10.3105 10.5527 10.5527 11.0560 11.0560 k = 0.0000 0.0000 0.4120 ( 5825 PWs) bands (ev): -10.3180 -10.3180 -10.3128 -10.3128 -10.2948 -10.2948 -10.2921 -10.2921 -7.8318 -7.8318 -7.7805 -7.7805 -7.7407 -7.7407 -7.7392 -7.7392 -7.7243 -7.7243 -7.7167 -7.7167 -6.8148 -6.8148 -6.1858 -6.1858 -3.9059 -3.9059 -3.5709 -3.5709 -0.0031 -0.0031 0.2139 0.2139 2.9986 2.9986 3.2830 3.2830 3.4182 3.4182 3.9831 3.9831 5.2806 5.2806 5.5012 5.5012 5.7602 5.7602 6.3865 6.3865 6.4380 6.4380 6.6484 6.6484 9.1520 9.1520 10.0465 10.0465 10.2602 10.2602 10.5330 10.5330 10.9848 10.9848 k = 0.0000 0.0000 0.4307 ( 5825 PWs) bands (ev): -10.3180 -10.3180 -10.3128 -10.3128 -10.2948 -10.2948 -10.2920 -10.2920 -7.8331 -7.8331 -7.7804 -7.7804 -7.7404 -7.7404 -7.7387 -7.7387 -7.7246 -7.7246 -7.7168 -7.7168 -6.7915 -6.7915 -6.1927 -6.1927 -3.9429 -3.9429 -3.5790 -3.5790 0.0297 0.0297 0.1942 0.1942 3.0174 3.0174 3.2549 3.2549 3.4360 3.4360 3.9238 3.9238 5.3246 5.3246 5.5410 5.5410 5.8080 5.8080 6.3783 6.3783 6.5205 6.5205 6.7198 6.7198 9.1202 9.1202 9.9710 9.9710 10.2312 10.2312 10.5164 10.5164 10.9162 10.9162 k = 0.0000 0.0000 0.4494 ( 5829 PWs) bands (ev): -10.3180 -10.3180 -10.3128 -10.3128 -10.2948 -10.2948 -10.2920 -10.2920 -7.8344 -7.8344 -7.7803 -7.7803 -7.7401 -7.7401 -7.7382 -7.7382 -7.7250 -7.7250 -7.7168 -7.7168 -6.7689 -6.7689 -6.1991 -6.1991 -3.9792 -3.9792 -3.5868 -3.5868 0.0628 0.0628 0.1758 0.1758 3.0349 3.0349 3.2270 3.2270 3.4572 3.4572 3.8693 3.8693 5.3595 5.3595 5.5711 5.5711 5.8466 5.8466 6.3776 6.3776 6.5920 6.5920 6.8107 6.8107 9.1003 9.1003 9.8736 9.8736 10.2179 10.2179 10.5017 10.5017 10.8460 10.8460 k = 0.0000 0.0000 0.4681 ( 5821 PWs) bands (ev): -10.3180 -10.3180 -10.3128 -10.3128 -10.2949 -10.2949 -10.2919 -10.2919 -7.8356 -7.8356 -7.7802 -7.7802 -7.7399 -7.7399 -7.7377 -7.7377 -7.7254 -7.7254 -7.7168 -7.7168 -6.7470 -6.7470 -6.2050 -6.2050 -4.0142 -4.0142 -3.5941 -3.5941 0.0958 0.0958 0.1587 0.1587 3.0500 3.0500 3.2006 3.2006 3.4803 3.4803 3.8207 3.8207 5.3847 5.3847 5.5908 5.5908 5.8757 5.8757 6.3949 6.3949 6.6487 6.6487 6.9150 6.9150 9.0917 9.0917 9.7637 9.7637 10.2123 10.2123 10.4881 10.4881 10.7696 10.7696 k = 0.0000 0.0000 0.4869 ( 5816 PWs) bands (ev): -10.3180 -10.3180 -10.3128 -10.3128 -10.2949 -10.2949 -10.2918 -10.2918 -7.8368 -7.8368 -7.7801 -7.7801 -7.7396 -7.7396 -7.7373 -7.7373 -7.7257 -7.7257 -7.7167 -7.7167 -6.7261 -6.7261 -6.2104 -6.2104 -4.0476 -4.0476 -3.6009 -3.6009 0.1275 0.1275 0.1437 0.1437 3.0618 3.0618 3.1763 3.1763 3.5042 3.5042 3.7788 3.7788 5.3990 5.3990 5.6029 5.6029 5.8955 5.8955 6.4307 6.4307 6.6940 6.6940 7.0263 7.0263 9.0934 9.0934 9.6473 9.6473 10.2098 10.2098 10.4749 10.4749 10.6858 10.6858 k = 0.0000 0.0000 0.5056 ( 5812 PWs) bands (ev): -10.3180 -10.3180 -10.3127 -10.3127 -10.2949 -10.2949 -10.2918 -10.2918 -7.8379 -7.8379 -7.7801 -7.7801 -7.7394 -7.7394 -7.7369 -7.7369 -7.7261 -7.7261 -7.7167 -7.7167 -6.7066 -6.7066 -6.2152 -6.2152 -4.0788 -4.0788 -3.6071 -3.6071 0.1280 0.1280 0.1600 0.1600 3.0697 3.0697 3.1544 3.1544 3.5282 3.5282 3.7443 3.7443 5.4016 5.4016 5.6114 5.6114 5.9072 5.9072 6.4810 6.4810 6.7310 6.7310 7.1403 7.1403 9.1039 9.1039 9.5281 9.5281 10.2078 10.2078 10.4605 10.4605 10.5988 10.5988 k = 0.0000 0.0000 0.5243 ( 5810 PWs) bands (ev): -10.3180 -10.3180 -10.3127 -10.3127 -10.2949 -10.2949 -10.2917 -10.2917 -7.8388 -7.8388 -7.7800 -7.7800 -7.7391 -7.7391 -7.7365 -7.7365 -7.7264 -7.7264 -7.7166 -7.7166 -6.6887 -6.6887 -6.2195 -6.2195 -4.1076 -4.1076 -3.6127 -3.6127 0.1156 0.1156 0.1891 0.1891 3.0734 3.0734 3.1348 3.1348 3.5517 3.5517 3.7175 3.7175 5.3933 5.3933 5.6199 5.6199 5.9126 5.9126 6.5404 6.5404 6.7617 6.7617 7.2538 7.2538 9.1211 9.1211 9.4090 9.4090 10.2047 10.2047 10.4387 10.4387 10.5195 10.5195 k = 0.0000 0.0000 0.5430 ( 5814 PWs) bands (ev): -10.3180 -10.3180 -10.3127 -10.3127 -10.2949 -10.2949 -10.2917 -10.2917 -7.8397 -7.8397 -7.7800 -7.7800 -7.7389 -7.7389 -7.7363 -7.7363 -7.7267 -7.7267 -7.7166 -7.7166 -6.6725 -6.6725 -6.2231 -6.2231 -4.1335 -4.1335 -3.6176 -3.6176 0.1045 0.1045 0.2160 0.2160 3.0731 3.0731 3.1178 3.1178 3.5740 3.5740 3.6980 3.6980 5.3769 5.3769 5.6291 5.6291 5.9136 5.9136 6.6029 6.6029 6.7877 6.7877 7.3643 7.3643 9.1425 9.1425 9.2931 9.2931 10.1993 10.1993 10.3885 10.3885 10.4735 10.4735 k = 0.0000 0.0000 0.5618 ( 5812 PWs) bands (ev): -10.3180 -10.3180 -10.3127 -10.3127 -10.2949 -10.2949 -10.2917 -10.2917 -7.8405 -7.8405 -7.7800 -7.7800 -7.7387 -7.7387 -7.7360 -7.7360 -7.7269 -7.7269 -7.7165 -7.7165 -6.6584 -6.6584 -6.2262 -6.2262 -4.1561 -4.1561 -3.6219 -3.6219 0.0950 0.0950 0.2399 0.2399 3.0698 3.0698 3.1033 3.1033 3.5944 3.5944 3.6851 3.6851 5.3564 5.3564 5.6383 5.6383 5.9120 5.9120 6.6628 6.6628 6.8108 6.8108 7.4694 7.4694 9.1570 9.1570 9.1920 9.1920 10.1900 10.1900 10.3195 10.3195 10.4562 10.4562 k = 0.0000 0.0000 0.5805 ( 5820 PWs) bands (ev): -10.3180 -10.3180 -10.3127 -10.3127 -10.2949 -10.2949 -10.2916 -10.2916 -7.8411 -7.8411 -7.7799 -7.7799 -7.7385 -7.7385 -7.7359 -7.7359 -7.7271 -7.7271 -7.7164 -7.7164 -6.6466 -6.6466 -6.2286 -6.2286 -4.1751 -4.1751 -3.6254 -3.6254 0.0872 0.0872 0.2604 0.2604 3.0645 3.0645 3.0913 3.0913 3.6123 3.6123 3.6773 3.6773 5.3353 5.3353 5.6464 5.6464 5.9092 5.9092 6.7145 6.7145 6.8333 6.8333 7.5662 7.5662 9.0751 9.0751 9.1960 9.1960 10.1731 10.1731 10.2598 10.2598 10.4469 10.4469 k = 0.0000 0.0000 0.5992 ( 5820 PWs) bands (ev): -10.3180 -10.3180 -10.3127 -10.3127 -10.2949 -10.2949 -10.2916 -10.2916 -7.8416 -7.8416 -7.7799 -7.7799 -7.7383 -7.7383 -7.7358 -7.7358 -7.7273 -7.7273 -7.7164 -7.7164 -6.6372 -6.6372 -6.2305 -6.2305 -4.1902 -4.1902 -3.6281 -3.6281 0.0811 0.0811 0.2769 0.2769 3.0587 3.0587 3.0818 3.0818 3.6271 3.6271 3.6732 3.6732 5.3164 5.3164 5.6527 5.6527 5.9063 5.9063 6.7528 6.7528 6.8567 6.8567 7.6508 7.6508 8.9865 8.9865 9.2172 9.2172 10.1435 10.1435 10.2233 10.2233 10.4408 10.4408 k = 0.0000 0.0000 0.6179 ( 5828 PWs) bands (ev): -10.3180 -10.3180 -10.3127 -10.3127 -10.2949 -10.2949 -10.2916 -10.2916 -7.8419 -7.8419 -7.7799 -7.7799 -7.7381 -7.7381 -7.7357 -7.7357 -7.7274 -7.7274 -7.7164 -7.7164 -6.6303 -6.6303 -6.2319 -6.2319 -4.2011 -4.2011 -3.6301 -3.6301 0.0767 0.0767 0.2890 0.2890 3.0536 3.0536 3.0750 3.0750 3.6381 3.6381 3.6713 3.6713 5.3016 5.3016 5.6571 5.6571 5.9040 5.9040 6.7764 6.7764 6.8797 6.8797 7.7183 7.7183 8.9155 8.9155 9.2346 9.2346 10.1095 10.1095 10.2063 10.2063 10.4367 10.4367 k = 0.0000 0.0000 0.6367 ( 5834 PWs) bands (ev): -10.3181 -10.3181 -10.3127 -10.3127 -10.2949 -10.2949 -10.2916 -10.2916 -7.8422 -7.8422 -7.7799 -7.7799 -7.7381 -7.7381 -7.7357 -7.7357 -7.7275 -7.7275 -7.7163 -7.7163 -6.6262 -6.6262 -6.2327 -6.2327 -4.2078 -4.2078 -3.6313 -3.6313 0.0741 0.0741 0.2964 0.2964 3.0501 3.0501 3.0709 3.0709 3.6450 3.6450 3.6706 3.6706 5.2922 5.2922 5.6596 5.6596 5.9025 5.9025 6.7884 6.7884 6.8967 6.8967 7.7625 7.7625 8.8689 8.8689 9.2459 9.2459 10.0851 10.0851 10.1986 10.1986 10.4343 10.4343 k = 0.0000 0.0000 0.6554 ( 5834 PWs) bands (ev): -10.3181 -10.3181 -10.3127 -10.3127 -10.2949 -10.2949 -10.2916 -10.2916 -7.8422 -7.8422 -7.7799 -7.7799 -7.7380 -7.7380 -7.7357 -7.7357 -7.7275 -7.7275 -7.7163 -7.7163 -6.6248 -6.6248 -6.2329 -6.2329 -4.2100 -4.2100 -3.6317 -3.6317 0.0732 0.0732 0.2989 0.2989 3.0489 3.0489 3.0695 3.0695 3.6474 3.6474 3.6705 3.6705 5.2890 5.2890 5.6604 5.6604 5.9020 5.9020 6.7920 6.7920 6.9030 6.9030 7.7780 7.7780 8.8526 8.8526 9.2498 9.2498 10.0765 10.0765 10.1962 10.1962 10.4336 10.4336 k = 0.0000 0.0000 0.6554 ( 5834 PWs) bands (ev): -10.3181 -10.3181 -10.3127 -10.3127 -10.2949 -10.2949 -10.2916 -10.2916 -7.8422 -7.8422 -7.7799 -7.7799 -7.7380 -7.7380 -7.7357 -7.7357 -7.7275 -7.7275 -7.7163 -7.7163 -6.6248 -6.6248 -6.2329 -6.2329 -4.2100 -4.2100 -3.6317 -3.6317 0.0732 0.0732 0.2989 0.2989 3.0489 3.0489 3.0695 3.0695 3.6474 3.6474 3.6705 3.6705 5.2890 5.2890 5.6604 5.6604 5.9020 5.9020 6.7920 6.7920 6.9030 6.9030 7.7780 7.7780 8.8526 8.8526 9.2498 9.2498 10.0765 10.0765 10.1962 10.1962 10.4336 10.4336 k =-0.0139 0.0118 0.6554 ( 5838 PWs) bands (ev): -10.3181 -10.3181 -10.3127 -10.3127 -10.2949 -10.2949 -10.2916 -10.2916 -7.8421 -7.8421 -7.7799 -7.7799 -7.7381 -7.7381 -7.7357 -7.7357 -7.7275 -7.7275 -7.7163 -7.7163 -6.6240 -6.6240 -6.2340 -6.2340 -4.2093 -4.2093 -3.6312 -3.6312 0.0712 0.0712 0.2966 0.2966 3.0322 3.0322 3.0744 3.0744 3.6405 3.6405 3.6965 3.6965 5.2814 5.2814 5.6640 5.6640 5.9063 5.9063 6.7940 6.7940 6.9044 6.9044 7.7769 7.7769 8.8510 8.8510 9.2468 9.2468 10.0771 10.0771 10.1972 10.1972 10.4306 10.4306 k =-0.0278 0.0236 0.6554 ( 5838 PWs) bands (ev): -10.3181 -10.3181 -10.3126 -10.3126 -10.2949 -10.2949 -10.2916 -10.2916 -7.8418 -7.8418 -7.7799 -7.7799 -7.7382 -7.7382 -7.7357 -7.7357 -7.7276 -7.7276 -7.7164 -7.7164 -6.6218 -6.6218 -6.2372 -6.2372 -4.2071 -4.2071 -3.6298 -3.6298 0.0653 0.0653 0.2897 0.2897 2.9890 2.9890 3.0875 3.0875 3.6339 3.6339 3.7552 3.7552 5.2601 5.2601 5.6733 5.6733 5.9193 5.9193 6.7996 6.7996 6.9089 6.9089 7.7737 7.7737 8.8458 8.8458 9.2384 9.2384 10.0785 10.0785 10.2002 10.2002 10.4227 10.4227 k =-0.0418 0.0354 0.6554 ( 5836 PWs) bands (ev): -10.3180 -10.3180 -10.3126 -10.3126 -10.2949 -10.2949 -10.2916 -10.2916 -7.8413 -7.8413 -7.7798 -7.7798 -7.7384 -7.7384 -7.7357 -7.7357 -7.7277 -7.7277 -7.7164 -7.7164 -6.6180 -6.6180 -6.2424 -6.2424 -4.2035 -4.2035 -3.6274 -3.6274 0.0555 0.0555 0.2783 0.2783 2.9294 2.9294 3.1085 3.1085 3.6282 3.6282 3.8359 3.8359 5.2281 5.2281 5.6855 5.6855 5.9410 5.9410 6.8079 6.8079 6.9172 6.9172 7.7684 7.7684 8.8355 8.8355 9.2260 9.2260 10.0796 10.0796 10.2049 10.2049 10.4119 10.4119 k =-0.0557 0.0472 0.6554 ( 5844 PWs) bands (ev): -10.3180 -10.3180 -10.3125 -10.3125 -10.2949 -10.2949 -10.2916 -10.2916 -7.8405 -7.8405 -7.7798 -7.7798 -7.7387 -7.7387 -7.7357 -7.7357 -7.7279 -7.7279 -7.7165 -7.7165 -6.6128 -6.6128 -6.2497 -6.2497 -4.1985 -4.1985 -3.6243 -3.6243 0.0422 0.0422 0.2625 0.2625 2.8620 2.8620 3.1374 3.1374 3.6219 3.6219 3.9314 3.9314 5.1884 5.1884 5.6979 5.6979 5.9710 5.9710 6.8174 6.8174 6.9304 6.9304 7.7610 7.7610 8.8178 8.8178 9.2121 9.2121 10.0788 10.0788 10.2109 10.2109 10.4018 10.4018 k =-0.0696 0.0590 0.6554 ( 5854 PWs) bands (ev): -10.3181 -10.3181 -10.3123 -10.3123 -10.2949 -10.2949 -10.2916 -10.2916 -7.8396 -7.8396 -7.7798 -7.7798 -7.7392 -7.7392 -7.7358 -7.7358 -7.7280 -7.7280 -7.7166 -7.7166 -6.6062 -6.6062 -6.2589 -6.2589 -4.1920 -4.1920 -3.6205 -3.6205 0.0255 0.0255 0.2424 0.2424 2.7920 2.7920 3.1740 3.1740 3.6145 3.6145 4.0367 4.0367 5.1437 5.1437 5.7093 5.7093 6.0084 6.0084 6.8267 6.8267 6.9495 6.9495 7.7516 7.7516 8.7896 8.7896 9.1998 9.1998 10.0741 10.0741 10.2180 10.2180 10.3962 10.3962 k =-0.0835 0.0708 0.6554 ( 5850 PWs) bands (ev): -10.3181 -10.3181 -10.3122 -10.3122 -10.2949 -10.2949 -10.2916 -10.2916 -7.8384 -7.8384 -7.7797 -7.7797 -7.7398 -7.7398 -7.7358 -7.7358 -7.7281 -7.7281 -7.7168 -7.7168 -6.5981 -6.5981 -6.2698 -6.2698 -4.1842 -4.1842 -3.6161 -3.6161 0.0057 0.0057 0.2182 0.2182 2.7227 2.7227 3.2179 3.2179 3.6060 3.6060 4.1484 4.1484 5.0957 5.0957 5.7193 5.7193 6.0519 6.0519 6.8349 6.8349 6.9751 6.9751 7.7403 7.7403 8.7486 8.7486 9.1921 9.1921 10.0641 10.0641 10.2260 10.2260 10.3984 10.3984 k =-0.0975 0.0826 0.6554 ( 5852 PWs) bands (ev): -10.3181 -10.3181 -10.3120 -10.3120 -10.2950 -10.2950 -10.2916 -10.2916 -7.8371 -7.8371 -7.7797 -7.7797 -7.7405 -7.7405 -7.7359 -7.7359 -7.7282 -7.7282 -7.7169 -7.7169 -6.5888 -6.5888 -6.2825 -6.2825 -4.1750 -4.1750 -3.6115 -3.6115 -0.0167 -0.0167 0.1902 0.1902 2.6562 2.6562 3.2687 3.2687 3.5964 3.5964 4.2644 4.2644 5.0456 5.0456 5.7281 5.7281 6.1005 6.1005 6.8417 6.8417 7.0068 7.0068 7.7272 7.7272 8.6934 8.6934 9.1909 9.1909 10.0487 10.0487 10.2350 10.2350 10.4097 10.4097 k =-0.1114 0.0944 0.6554 ( 5840 PWs) bands (ev): -10.3181 -10.3181 -10.3118 -10.3118 -10.2950 -10.2950 -10.2916 -10.2916 -7.8355 -7.8355 -7.7797 -7.7797 -7.7414 -7.7414 -7.7360 -7.7360 -7.7282 -7.7282 -7.7171 -7.7171 -6.5781 -6.5781 -6.2966 -6.2966 -4.1645 -4.1645 -3.6067 -3.6067 -0.0415 -0.0415 0.1585 0.1585 2.5937 2.5937 3.3257 3.3257 3.5860 3.5860 4.3830 4.3830 4.9945 4.9945 5.7359 5.7359 6.1530 6.1530 6.8475 6.8475 7.0438 7.0438 7.7124 7.7124 8.6245 8.6245 9.1964 9.1964 10.0291 10.0291 10.2451 10.2451 10.4297 10.4297 k =-0.1253 0.1062 0.6554 ( 5834 PWs) bands (ev): -10.3181 -10.3181 -10.3116 -10.3116 -10.2950 -10.2950 -10.2916 -10.2916 -7.8338 -7.8338 -7.7796 -7.7796 -7.7424 -7.7424 -7.7360 -7.7360 -7.7282 -7.7282 -7.7173 -7.7173 -6.5663 -6.5663 -6.3121 -6.3121 -4.1527 -4.1527 -3.6019 -3.6019 -0.0683 -0.0683 0.1235 0.1235 2.5361 2.5361 3.3878 3.3878 3.5754 3.5754 4.5028 4.5028 4.9428 4.9428 5.7431 5.7431 6.2086 6.2086 6.8526 6.8526 7.0849 7.0849 7.6960 7.6960 8.5438 8.5438 9.2080 9.2080 10.0074 10.0074 10.2562 10.2562 10.4571 10.4571 k =-0.1392 0.1180 0.6554 ( 5838 PWs) bands (ev): -10.3181 -10.3181 -10.3113 -10.3113 -10.2951 -10.2951 -10.2916 -10.2916 -7.8319 -7.8319 -7.7795 -7.7795 -7.7436 -7.7436 -7.7361 -7.7361 -7.7281 -7.7281 -7.7175 -7.7175 -6.5534 -6.5534 -6.3287 -6.3287 -4.1397 -4.1397 -3.5975 -3.5975 -0.0966 -0.0966 0.0854 0.0854 2.4842 2.4842 3.4526 3.4526 3.5670 3.5670 4.6224 4.6224 4.8912 4.8912 5.7500 5.7500 6.2667 6.2667 6.8578 6.8578 7.1292 7.1292 7.6783 7.6783 8.4539 8.4539 9.2248 9.2248 9.9855 9.9855 10.2680 10.2680 10.4903 10.4903 k =-0.1532 0.1298 0.6554 ( 5848 PWs) bands (ev): -10.3181 -10.3181 -10.3111 -10.3111 -10.2951 -10.2951 -10.2916 -10.2916 -7.8299 -7.8299 -7.7795 -7.7795 -7.7449 -7.7449 -7.7361 -7.7361 -7.7279 -7.7279 -7.7178 -7.7178 -6.5395 -6.5395 -6.3462 -6.3462 -4.1255 -4.1255 -3.5935 -3.5935 -0.1262 -0.1262 0.0445 0.0445 2.4383 2.4383 3.5054 3.5054 3.5749 3.5749 4.7404 4.7404 4.8403 4.8403 5.7568 5.7568 6.3265 6.3265 6.8633 6.8633 7.1758 7.1758 7.6593 7.6593 8.3578 8.3578 9.2455 9.2455 9.9647 9.9647 10.2800 10.2800 10.5282 10.5282 k =-0.1671 0.1416 0.6554 ( 5836 PWs) bands (ev): -10.3181 -10.3181 -10.3108 -10.3108 -10.2951 -10.2951 -10.2916 -10.2916 -7.8276 -7.8276 -7.7794 -7.7794 -7.7463 -7.7463 -7.7361 -7.7361 -7.7277 -7.7277 -7.7180 -7.7180 -6.5249 -6.5249 -6.3643 -6.3643 -4.1102 -4.1102 -3.5903 -3.5903 -0.1566 -0.1566 0.0012 0.0012 2.3989 2.3989 3.5142 3.5142 3.6310 3.6310 4.7888 4.7888 4.8565 4.8565 5.7636 5.7636 6.3872 6.3872 6.8699 6.8699 7.2236 7.2236 7.6394 7.6394 8.2587 8.2587 9.2692 9.2692 9.9459 9.9459 10.2918 10.2918 10.5697 10.5697 k =-0.1810 0.1534 0.6554 ( 5832 PWs) bands (ev): -10.3181 -10.3181 -10.3105 -10.3105 -10.2952 -10.2952 -10.2916 -10.2916 -7.8253 -7.8253 -7.7793 -7.7793 -7.7478 -7.7478 -7.7361 -7.7361 -7.7275 -7.7275 -7.7183 -7.7183 -6.5099 -6.5099 -6.3825 -6.3825 -4.0938 -4.0938 -3.5879 -3.5879 -0.1876 -0.1876 -0.0442 -0.0442 2.3664 2.3664 3.5039 3.5039 3.7100 3.7100 4.7397 4.7397 4.9663 4.9663 5.7705 5.7705 6.4480 6.4480 6.8782 6.8782 7.2715 7.2715 7.6189 7.6189 8.1599 8.1599 9.2952 9.2952 9.9295 9.9295 10.3028 10.3028 10.6140 10.6140 k =-0.1949 0.1652 0.6554 ( 5824 PWs) bands (ev): -10.3181 -10.3181 -10.3102 -10.3102 -10.2952 -10.2952 -10.2916 -10.2916 -7.8228 -7.8228 -7.7793 -7.7793 -7.7493 -7.7493 -7.7360 -7.7360 -7.7272 -7.7272 -7.7185 -7.7185 -6.4955 -6.4955 -6.4000 -6.4000 -4.0765 -4.0765 -3.5866 -3.5866 -0.2189 -0.2189 -0.0915 -0.0915 2.3410 2.3410 3.4897 3.4897 3.7963 3.7963 4.6915 4.6915 5.0693 5.0693 5.7775 5.7775 6.5074 6.5074 6.8893 6.8893 7.3178 7.3178 7.5988 7.5988 8.0652 8.0652 9.3228 9.3228 9.9156 9.9156 10.3127 10.3127 10.6603 10.6603 k =-0.2089 0.1770 0.6554 ( 5824 PWs) bands (ev): -10.3181 -10.3181 -10.3099 -10.3099 -10.2952 -10.2952 -10.2916 -10.2916 -7.8201 -7.8201 -7.7792 -7.7792 -7.7509 -7.7509 -7.7359 -7.7359 -7.7269 -7.7269 -7.7188 -7.7188 -6.4835 -6.4835 -6.4145 -6.4145 -4.0583 -4.0583 -3.5864 -3.5864 -0.2503 -0.2503 -0.1401 -0.1401 2.3228 2.3228 3.4742 3.4742 3.8872 3.8872 4.6446 4.6446 5.1628 5.1628 5.7849 5.7849 6.5637 6.5637 6.9048 6.9048 7.3598 7.3598 7.5808 7.5808 7.9788 7.9788 9.3514 9.3514 9.9038 9.9038 10.3209 10.3209 10.7077 10.7077 k =-0.2228 0.1888 0.6554 ( 5824 PWs) bands (ev): -10.3181 -10.3181 -10.3095 -10.3095 -10.2953 -10.2953 -10.2916 -10.2916 -7.8174 -7.8174 -7.7791 -7.7791 -7.7525 -7.7525 -7.7358 -7.7358 -7.7265 -7.7265 -7.7191 -7.7191 -6.4796 -6.4796 -6.4207 -6.4207 -4.0393 -4.0393 -3.5875 -3.5875 -0.2813 -0.2813 -0.1898 -0.1898 2.3120 2.3120 3.4581 3.4581 3.9817 3.9817 4.5993 4.5993 5.2437 5.2437 5.7926 5.7926 6.6142 6.6142 6.9270 6.9270 7.3917 7.3917 7.5695 7.5695 7.9053 7.9053 9.3806 9.3806 9.8939 9.8939 10.3272 10.3272 10.7554 10.7554 k =-0.2367 0.2006 0.6554 ( 5824 PWs) bands (ev): -10.3181 -10.3181 -10.3092 -10.3092 -10.2953 -10.2953 -10.2916 -10.2916 -7.8146 -7.8146 -7.7790 -7.7790 -7.7542 -7.7542 -7.7357 -7.7357 -7.7262 -7.7262 -7.7194 -7.7194 -6.4878 -6.4878 -6.4142 -6.4142 -4.0197 -4.0197 -3.5900 -3.5900 -0.3119 -0.3119 -0.2403 -0.2403 2.3087 2.3087 3.4417 3.4417 4.0791 4.0791 4.5557 4.5557 5.3088 5.3088 5.8006 5.8006 6.6562 6.6562 6.9583 6.9583 7.4049 7.4049 7.5728 7.5728 7.8494 7.8494 9.4098 9.4098 9.8855 9.8855 10.3313 10.3313 10.8021 10.8021 k =-0.2506 0.2124 0.6554 ( 5832 PWs) bands (ev): -10.3181 -10.3181 -10.3088 -10.3088 -10.2953 -10.2953 -10.2916 -10.2916 -7.8118 -7.8118 -7.7789 -7.7789 -7.7558 -7.7558 -7.7355 -7.7355 -7.7258 -7.7258 -7.7197 -7.7197 -6.5033 -6.5033 -6.3999 -6.3999 -3.9995 -3.9995 -3.5937 -3.5937 -0.3419 -0.3419 -0.2912 -0.2912 2.3128 2.3128 3.4253 3.4253 4.1790 4.1790 4.5140 4.5140 5.3550 5.3550 5.8089 5.8089 6.6876 6.6876 7.0003 7.0003 7.3960 7.3960 7.5939 7.5939 7.8147 7.8147 9.4386 9.4386 9.8778 9.8778 10.3330 10.3330 10.8464 10.8464 k =-0.2646 0.2242 0.6554 ( 5830 PWs) bands (ev): -10.3181 -10.3181 -10.3085 -10.3085 -10.2954 -10.2954 -10.2917 -10.2917 -7.8089 -7.8089 -7.7788 -7.7788 -7.7574 -7.7574 -7.7353 -7.7353 -7.7255 -7.7255 -7.7199 -7.7199 -6.5215 -6.5215 -6.3824 -6.3824 -3.9789 -3.9789 -3.5989 -3.5989 -0.3710 -0.3710 -0.3420 -0.3420 2.3244 2.3244 3.4090 3.4090 4.2805 4.2805 4.4745 4.4745 5.3796 5.3796 5.8172 5.8172 6.7083 6.7083 7.0530 7.0530 7.3725 7.3725 7.6265 7.6265 7.8028 7.8028 9.4664 9.4664 9.8705 9.8705 10.3323 10.3323 10.8861 10.8861 k =-0.2785 0.2360 0.6554 ( 5838 PWs) bands (ev): -10.3181 -10.3181 -10.3081 -10.3081 -10.2954 -10.2954 -10.2917 -10.2917 -7.8060 -7.8060 -7.7788 -7.7788 -7.7590 -7.7590 -7.7351 -7.7351 -7.7251 -7.7251 -7.7202 -7.7202 -6.5405 -6.5405 -6.3636 -6.3636 -3.9580 -3.9580 -3.6052 -3.6052 -0.3992 -0.3992 -0.3925 -0.3925 2.3434 2.3434 3.3930 3.3930 4.3813 4.3813 4.4393 4.4393 5.3814 5.3814 5.8251 5.8251 6.7203 6.7203 7.1141 7.1141 7.3432 7.3432 7.6655 7.6655 7.8121 7.8121 9.4924 9.4924 9.8629 9.8629 10.3294 10.3294 10.9179 10.9179 k =-0.2924 0.2478 0.6554 ( 5842 PWs) bands (ev): -10.3181 -10.3181 -10.3078 -10.3078 -10.2954 -10.2954 -10.2917 -10.2917 -7.8031 -7.8031 -7.7787 -7.7787 -7.7605 -7.7605 -7.7348 -7.7348 -7.7248 -7.7248 -7.7204 -7.7204 -6.5596 -6.5596 -6.3443 -6.3443 -3.9370 -3.9370 -3.6128 -3.6128 -0.4425 -0.4425 -0.4261 -0.4261 2.3696 2.3696 3.3775 3.3775 4.3970 4.3970 4.4924 4.4924 5.3603 5.3603 5.8325 5.8325 6.7257 6.7257 7.1792 7.1792 7.3145 7.3145 7.7106 7.7106 7.8385 7.8385 9.5155 9.5155 9.8550 9.8550 10.3246 10.3246 10.9372 10.9372 k =-0.3063 0.2596 0.6554 ( 5852 PWs) bands (ev): -10.3181 -10.3181 -10.3075 -10.3075 -10.2955 -10.2955 -10.2918 -10.2918 -7.8003 -7.8003 -7.7786 -7.7786 -7.7620 -7.7620 -7.7344 -7.7344 -7.7245 -7.7245 -7.7206 -7.7206 -6.5783 -6.5783 -6.3249 -6.3249 -3.9160 -3.9160 -3.6214 -3.6214 -0.4913 -0.4913 -0.4518 -0.4518 2.4027 2.4027 3.3626 3.3626 4.3645 4.3645 4.5964 4.5964 5.3179 5.3179 5.8391 5.8391 6.7268 6.7268 7.2274 7.2274 7.3071 7.3071 7.7624 7.7624 7.8778 7.8778 9.5341 9.5341 9.8470 9.8470 10.3185 10.3185 10.9415 10.9415 k =-0.3203 0.2714 0.6554 ( 5850 PWs) bands (ev): -10.3181 -10.3181 -10.3071 -10.3071 -10.2955 -10.2955 -10.2918 -10.2918 -7.7976 -7.7976 -7.7785 -7.7785 -7.7634 -7.7634 -7.7340 -7.7340 -7.7242 -7.7242 -7.7208 -7.7208 -6.5965 -6.5965 -6.3056 -6.3056 -3.8952 -3.8952 -3.6308 -3.6308 -0.5388 -0.5388 -0.4761 -0.4761 2.4426 2.4426 3.3483 3.3483 4.3331 4.3331 4.7014 4.7014 5.2567 5.2567 5.8452 5.8452 6.7250 6.7250 7.2165 7.2165 7.3621 7.3621 7.8186 7.8186 7.9285 7.9285 9.5461 9.5461 9.8401 9.8401 10.3119 10.3119 10.9341 10.9341 k =-0.3342 0.2832 0.6554 ( 5854 PWs) bands (ev): -10.3181 -10.3181 -10.3068 -10.3068 -10.2955 -10.2955 -10.2919 -10.2919 -7.7949 -7.7949 -7.7784 -7.7784 -7.7648 -7.7648 -7.7336 -7.7336 -7.7239 -7.7239 -7.7210 -7.7210 -6.6139 -6.6139 -6.2867 -6.2867 -3.8749 -3.8749 -3.6409 -3.6409 -0.5845 -0.5845 -0.4990 -0.4990 2.4889 2.4889 3.3350 3.3350 4.3037 4.3037 4.8057 4.8057 5.1802 5.1802 5.8508 5.8508 6.7212 6.7212 7.1837 7.1837 7.4410 7.4410 7.8741 7.8741 7.9923 7.9923 9.5488 9.5488 9.8360 9.8360 10.3054 10.3054 10.9202 10.9202 k =-0.3481 0.2950 0.6554 ( 5850 PWs) bands (ev): -10.3181 -10.3181 -10.3065 -10.3065 -10.2955 -10.2955 -10.2919 -10.2919 -7.7924 -7.7924 -7.7784 -7.7784 -7.7661 -7.7661 -7.7331 -7.7331 -7.7237 -7.7237 -7.7211 -7.7211 -6.6304 -6.6304 -6.2683 -6.2683 -3.8552 -3.8552 -3.6514 -3.6514 -0.6281 -0.6281 -0.5203 -0.5203 2.5411 2.5411 3.3226 3.3226 4.2766 4.2766 4.9064 4.9064 5.0942 5.0942 5.8561 5.8561 6.7159 6.7159 7.1466 7.1466 7.5252 7.5252 7.9244 7.9244 8.0703 8.0703 9.5398 9.5398 9.8362 9.8362 10.2998 10.2998 10.9030 10.9030 k =-0.3481 0.2950 0.6554 ( 5850 PWs) bands (ev): -10.3181 -10.3181 -10.3065 -10.3065 -10.2955 -10.2955 -10.2919 -10.2919 -7.7924 -7.7924 -7.7784 -7.7784 -7.7661 -7.7661 -7.7331 -7.7331 -7.7237 -7.7237 -7.7211 -7.7211 -6.6304 -6.6304 -6.2683 -6.2683 -3.8552 -3.8552 -3.6514 -3.6514 -0.6281 -0.6281 -0.5203 -0.5203 2.5411 2.5411 3.3226 3.3226 4.2766 4.2766 4.9064 4.9064 5.0942 5.0942 5.8561 5.8561 6.7159 6.7159 7.1466 7.1466 7.5252 7.5252 7.9244 7.9244 8.0703 8.0703 9.5398 9.5398 9.8362 9.8362 10.2998 10.2998 10.9030 10.9030 k =-0.3576 0.3030 0.6430 ( 5852 PWs) bands (ev): -10.3181 -10.3181 -10.3063 -10.3063 -10.2955 -10.2955 -10.2919 -10.2919 -7.7907 -7.7907 -7.7783 -7.7783 -7.7669 -7.7669 -7.7327 -7.7327 -7.7236 -7.7236 -7.7211 -7.7211 -6.6407 -6.6407 -6.2568 -6.2568 -3.8417 -3.8417 -3.6590 -3.6590 -0.6559 -0.6559 -0.5334 -0.5334 2.5799 2.5799 3.3102 3.3102 4.2660 4.2660 4.9601 4.9601 5.0439 5.0439 5.8584 5.8584 6.7062 6.7062 7.1247 7.1247 7.5811 7.5811 7.9409 7.9409 8.1437 8.1437 9.5248 9.5248 9.8394 9.8394 10.2967 10.2967 10.8907 10.8907 k =-0.3671 0.3111 0.6305 ( 5845 PWs) bands (ev): -10.3181 -10.3181 -10.3061 -10.3061 -10.2955 -10.2955 -10.2920 -10.2920 -7.7893 -7.7893 -7.7783 -7.7783 -7.7676 -7.7676 -7.7324 -7.7324 -7.7235 -7.7235 -7.7211 -7.7211 -6.6498 -6.6498 -6.2468 -6.2468 -3.8277 -3.8277 -3.6673 -3.6673 -0.6809 -0.6809 -0.5448 -0.5448 2.6208 2.6208 3.2891 3.2891 4.2701 4.2701 4.9372 4.9372 5.0647 5.0647 5.8584 5.8584 6.6865 6.6865 7.1114 7.1114 7.6317 7.6317 7.9415 7.9415 8.2318 8.2318 9.5007 9.5007 9.8459 9.8459 10.2934 10.2934 10.8789 10.8789 k =-0.3766 0.3191 0.6181 ( 5843 PWs) bands (ev): -10.3181 -10.3181 -10.3060 -10.3060 -10.2956 -10.2956 -10.2920 -10.2920 -7.7880 -7.7880 -7.7783 -7.7783 -7.7683 -7.7683 -7.7321 -7.7321 -7.7235 -7.7235 -7.7211 -7.7211 -6.6576 -6.6576 -6.2383 -6.2383 -3.8136 -3.8136 -3.6763 -3.6763 -0.7029 -0.7029 -0.5545 -0.5545 2.6633 2.6633 3.2604 3.2604 4.2879 4.2879 4.8728 4.8728 5.1213 5.1213 5.8561 5.8561 6.6602 6.6602 7.1053 7.1053 7.6766 7.6766 7.9372 7.9372 8.3213 8.3213 9.4687 9.4687 9.8553 9.8553 10.2891 10.2891 10.8684 10.8684 k =-0.3861 0.3272 0.6056 ( 5843 PWs) bands (ev): -10.3181 -10.3181 -10.3058 -10.3058 -10.2956 -10.2956 -10.2920 -10.2920 -7.7869 -7.7869 -7.7782 -7.7782 -7.7688 -7.7688 -7.7318 -7.7318 -7.7235 -7.7235 -7.7211 -7.7211 -6.6641 -6.6641 -6.2313 -6.2313 -3.7995 -3.7995 -3.6859 -3.6859 -0.7214 -0.7214 -0.5625 -0.5625 2.7060 2.7060 3.2263 3.2263 4.3180 4.3180 4.8030 4.8030 5.1766 5.1766 5.8517 5.8517 6.6314 6.6314 7.1040 7.1040 7.7153 7.7153 7.9312 7.9312 8.4060 8.4060 9.4314 9.4314 9.8666 9.8666 10.2836 10.2836 10.8600 10.8600 k =-0.3956 0.3352 0.5932 ( 5838 PWs) bands (ev): -10.3181 -10.3181 -10.3057 -10.3057 -10.2956 -10.2956 -10.2920 -10.2920 -7.7861 -7.7861 -7.7782 -7.7782 -7.7692 -7.7692 -7.7316 -7.7316 -7.7235 -7.7235 -7.7211 -7.7211 -6.6691 -6.6691 -6.2259 -6.2259 -3.7859 -3.7859 -3.6958 -3.6958 -0.7361 -0.7361 -0.5687 -0.5687 2.7473 2.7473 3.1901 3.1901 4.3584 4.3584 4.7324 4.7324 5.2249 5.2249 5.8460 5.8460 6.6043 6.6043 7.1053 7.1053 7.7474 7.7474 7.9246 7.9246 8.4814 8.4814 9.3928 9.3928 9.8781 9.8781 10.2774 10.2774 10.8536 10.8536 k =-0.4051 0.3433 0.5807 ( 5836 PWs) bands (ev): -10.3181 -10.3181 -10.3057 -10.3057 -10.2956 -10.2956 -10.2921 -10.2921 -7.7854 -7.7854 -7.7782 -7.7782 -7.7696 -7.7696 -7.7314 -7.7314 -7.7235 -7.7235 -7.7211 -7.7211 -6.6728 -6.6728 -6.2220 -6.2220 -3.7733 -3.7733 -3.7057 -3.7057 -0.7468 -0.7468 -0.5731 -0.5731 2.7840 2.7840 3.1560 3.1560 4.4071 4.4071 4.6628 4.6628 5.2628 5.2628 5.8401 5.8401 6.5824 6.5824 7.1073 7.1073 7.7721 7.7721 7.9181 7.9181 8.5423 8.5423 9.3581 9.3581 9.8880 9.8880 10.2715 10.2715 10.8493 10.8493 k =-0.4146 0.3513 0.5683 ( 5834 PWs) bands (ev): -10.3181 -10.3181 -10.3056 -10.3056 -10.2956 -10.2956 -10.2921 -10.2921 -7.7851 -7.7851 -7.7782 -7.7782 -7.7698 -7.7698 -7.7313 -7.7313 -7.7235 -7.7235 -7.7211 -7.7211 -6.6750 -6.6750 -6.2196 -6.2196 -3.7631 -3.7631 -3.7142 -3.7142 -0.7532 -0.7532 -0.5758 -0.5758 2.8108 2.8108 3.1304 3.1304 4.4614 4.4614 4.5962 4.5962 5.2871 5.2871 5.8355 5.8355 6.5682 6.5682 7.1090 7.1090 7.7880 7.7880 7.9131 7.9131 8.5827 8.5827 9.3334 9.3334 9.8947 9.8947 10.2673 10.2673 10.8469 10.8469 k =-0.4241 0.3594 0.5558 ( 5838 PWs) bands (ev): -10.3181 -10.3181 -10.3056 -10.3056 -10.2956 -10.2956 -10.2921 -10.2921 -7.7849 -7.7849 -7.7782 -7.7782 -7.7698 -7.7698 -7.7313 -7.7313 -7.7235 -7.7235 -7.7211 -7.7211 -6.6757 -6.6757 -6.2189 -6.2189 -3.7587 -3.7587 -3.7180 -3.7180 -0.7554 -0.7554 -0.5767 -0.5767 2.8209 2.8209 3.1206 3.1206 4.5042 4.5042 4.5492 4.5492 5.2956 5.2956 5.8338 5.8338 6.5633 6.5633 7.1096 7.1096 7.7937 7.7937 7.9111 7.9111 8.5970 8.5970 9.3243 9.3243 9.8971 9.8971 10.2657 10.2657 10.8461 10.8461 k =-0.4241 0.3594 0.5558 ( 5838 PWs) bands (ev): -10.3181 -10.3181 -10.3056 -10.3056 -10.2956 -10.2956 -10.2921 -10.2921 -7.7849 -7.7849 -7.7782 -7.7782 -7.7698 -7.7698 -7.7313 -7.7313 -7.7235 -7.7235 -7.7211 -7.7211 -6.6757 -6.6757 -6.2189 -6.2189 -3.7587 -3.7587 -3.7180 -3.7180 -0.7554 -0.7554 -0.5767 -0.5767 2.8209 2.8209 3.1206 3.1206 4.5042 4.5042 4.5492 4.5492 5.2956 5.2956 5.8338 5.8338 6.5633 6.5633 7.1096 7.1096 7.7937 7.7937 7.9111 7.9111 8.5970 8.5970 9.3243 9.3243 9.8971 9.8971 10.2657 10.2657 10.8461 10.8461 k =-0.4140 0.3508 0.5426 ( 5826 PWs) bands (ev): -10.3181 -10.3181 -10.3059 -10.3059 -10.2956 -10.2956 -10.2920 -10.2920 -7.7868 -7.7868 -7.7782 -7.7782 -7.7689 -7.7689 -7.7318 -7.7318 -7.7236 -7.7236 -7.7212 -7.7212 -6.6625 -6.6625 -6.2362 -6.2362 -3.7629 -3.7629 -3.7160 -3.7160 -0.7233 -0.7233 -0.5603 -0.5603 2.7653 2.7653 3.0901 3.0901 4.5843 4.5843 4.6350 4.6350 5.2167 5.2167 5.8164 5.8164 6.5341 6.5341 7.1689 7.1689 7.6920 7.6920 7.8318 7.8318 8.5656 8.5656 9.3469 9.3469 9.8978 9.8978 10.2541 10.2541 10.8714 10.8714 k =-0.4039 0.3423 0.5294 ( 5828 PWs) bands (ev): -10.3181 -10.3181 -10.3061 -10.3061 -10.2956 -10.2956 -10.2919 -10.2919 -7.7888 -7.7888 -7.7783 -7.7783 -7.7678 -7.7678 -7.7323 -7.7323 -7.7237 -7.7237 -7.7213 -7.7213 -6.6480 -6.6480 -6.2553 -6.2553 -3.7670 -3.7670 -3.7134 -3.7134 -0.6894 -0.6894 -0.5419 -0.5419 2.7104 2.7104 3.0637 3.0637 4.6643 4.6643 4.7240 4.7240 5.1377 5.1377 5.7971 5.7971 6.5000 6.5000 7.2219 7.2219 7.5865 7.5865 7.7469 7.7469 8.5406 8.5406 9.3648 9.3648 9.8985 9.8985 10.2458 10.2458 10.8979 10.8979 k =-0.3938 0.3337 0.5161 ( 5832 PWs) bands (ev): -10.3181 -10.3181 -10.3064 -10.3064 -10.2956 -10.2956 -10.2919 -10.2919 -7.7909 -7.7909 -7.7784 -7.7784 -7.7667 -7.7667 -7.7329 -7.7329 -7.7238 -7.7238 -7.7214 -7.7214 -6.6323 -6.6323 -6.2763 -6.2763 -3.7708 -3.7708 -3.7105 -3.7105 -0.6541 -0.6541 -0.5216 -0.5216 2.6571 2.6571 3.0424 3.0424 4.7420 4.7420 4.8151 4.8151 5.0600 5.0600 5.7759 5.7759 6.4618 6.4618 7.2581 7.2581 7.4824 7.4824 7.6629 7.6629 8.5214 8.5214 9.3785 9.3785 9.8994 9.8994 10.2413 10.2413 10.9255 10.9255 k =-0.3837 0.3251 0.5029 ( 5832 PWs) bands (ev): -10.3181 -10.3181 -10.3067 -10.3067 -10.2956 -10.2956 -10.2918 -10.2918 -7.7931 -7.7931 -7.7784 -7.7784 -7.7656 -7.7656 -7.7334 -7.7334 -7.7240 -7.7240 -7.7215 -7.7215 -6.6154 -6.6154 -6.2990 -6.2990 -3.7739 -3.7739 -3.7071 -3.7071 -0.6181 -0.6181 -0.4995 -0.4995 2.6057 2.6057 3.0267 3.0267 4.8132 4.8132 4.9069 4.9069 4.9880 4.9880 5.7529 5.7529 6.4204 6.4204 7.2520 7.2520 7.3920 7.3920 7.5942 7.5942 8.5072 8.5072 9.3884 9.3884 9.9007 9.9007 10.2411 10.2411 10.9541 10.9541 k =-0.3736 0.3166 0.4897 ( 5831 PWs) bands (ev): -10.3181 -10.3181 -10.3070 -10.3070 -10.2956 -10.2956 -10.2918 -10.2918 -7.7953 -7.7953 -7.7785 -7.7785 -7.7644 -7.7644 -7.7339 -7.7339 -7.7242 -7.7242 -7.7215 -7.7215 -6.5974 -6.5974 -6.3232 -6.3232 -3.7764 -3.7764 -3.7033 -3.7033 -0.5821 -0.5821 -0.4755 -0.4755 2.5569 2.5569 3.0174 3.0174 4.8520 4.8520 4.9405 4.9405 5.0044 5.0044 5.7283 5.7283 6.3763 6.3763 7.1801 7.1801 7.3178 7.3178 7.5631 7.5631 8.4974 8.4974 9.3953 9.3953 9.9027 9.9027 10.2451 10.2451 10.9834 10.9834 k =-0.3635 0.3080 0.4764 ( 5817 PWs) bands (ev): -10.3181 -10.3181 -10.3074 -10.3074 -10.2956 -10.2956 -10.2917 -10.2917 -7.7976 -7.7976 -7.7786 -7.7786 -7.7631 -7.7631 -7.7343 -7.7343 -7.7245 -7.7245 -7.7214 -7.7214 -6.5785 -6.5785 -6.3489 -6.3489 -3.7778 -3.7778 -3.6992 -3.6992 -0.5466 -0.5466 -0.4498 -0.4498 2.5109 2.5109 3.0147 3.0147 4.8057 4.8057 4.9795 4.9795 5.0966 5.0966 5.7022 5.7022 6.3301 6.3301 7.0742 7.0742 7.2306 7.2306 7.5683 7.5683 8.4920 8.4920 9.4001 9.4001 9.9060 9.9060 10.2534 10.2534 11.0132 11.0132 k =-0.3534 0.2995 0.4632 ( 5831 PWs) bands (ev): -10.3181 -10.3181 -10.3077 -10.3077 -10.2955 -10.2955 -10.2917 -10.2917 -7.7998 -7.7998 -7.7787 -7.7787 -7.7618 -7.7618 -7.7348 -7.7348 -7.7248 -7.7248 -7.7213 -7.7213 -6.5588 -6.5588 -6.3758 -6.3758 -3.7783 -3.7783 -3.6948 -3.6948 -0.5121 -0.5121 -0.4223 -0.4223 2.4681 2.4681 3.0192 3.0192 4.7366 4.7366 5.0354 5.0354 5.1883 5.1883 5.6750 5.6750 6.2822 6.2822 6.9593 6.9593 7.1293 7.1293 7.5872 7.5872 8.4909 8.4909 9.4033 9.4033 9.9112 9.9112 10.2656 10.2656 11.0429 11.0429 k =-0.3433 0.2909 0.4500 ( 5833 PWs) bands (ev): -10.3181 -10.3181 -10.3081 -10.3081 -10.2955 -10.2955 -10.2916 -10.2916 -7.8021 -7.8021 -7.7788 -7.7788 -7.7605 -7.7605 -7.7352 -7.7352 -7.7252 -7.7252 -7.7212 -7.7212 -6.5384 -6.5384 -6.4040 -6.4040 -3.7775 -3.7775 -3.6900 -3.6900 -0.4791 -0.4791 -0.3932 -0.3932 2.4287 2.4287 3.0310 3.0310 4.6660 4.6660 5.0864 5.0864 5.2770 5.2770 5.6474 5.6474 6.2332 6.2332 6.8429 6.8429 7.0220 7.0220 7.6057 7.6057 8.4943 8.4943 9.4060 9.4060 9.9188 9.9188 10.2818 10.2818 11.0718 11.0718 k =-0.3332 0.2824 0.4367 ( 5835 PWs) bands (ev): -10.3181 -10.3181 -10.3084 -10.3084 -10.2955 -10.2955 -10.2916 -10.2916 -7.8042 -7.8042 -7.7789 -7.7789 -7.7591 -7.7591 -7.7356 -7.7356 -7.7255 -7.7255 -7.7210 -7.7210 -6.5174 -6.5174 -6.4331 -6.4331 -3.7756 -3.7756 -3.6848 -3.6848 -0.4480 -0.4480 -0.3626 -0.3626 2.3929 2.3929 3.0505 3.0505 4.5967 4.5967 5.1283 5.1283 5.3593 5.3593 5.6210 5.6210 6.1835 6.1835 6.7280 6.7280 6.9132 6.9132 7.6179 7.6179 8.5027 8.5027 9.4089 9.4089 9.9294 9.9294 10.3015 10.3015 11.0989 11.0989 k =-0.3231 0.2738 0.4235 ( 5827 PWs) bands (ev): -10.3180 -10.3180 -10.3087 -10.3087 -10.2955 -10.2955 -10.2916 -10.2916 -7.8063 -7.8063 -7.7790 -7.7790 -7.7578 -7.7578 -7.7359 -7.7359 -7.7259 -7.7259 -7.7209 -7.7209 -6.4963 -6.4963 -6.4627 -6.4627 -3.7723 -3.7723 -3.6794 -3.6794 -0.4193 -0.4193 -0.3304 -0.3304 2.3609 2.3609 3.0777 3.0777 4.5295 4.5295 5.1590 5.1590 5.4281 5.4281 5.6010 5.6010 6.1334 6.1334 6.6169 6.6169 6.8059 6.8059 7.6212 7.6212 8.5166 8.5166 9.4127 9.4127 9.9434 9.9434 10.3248 10.3248 11.1232 11.1232 k =-0.3130 0.2652 0.4103 ( 5823 PWs) bands (ev): -10.3180 -10.3180 -10.3091 -10.3091 -10.2955 -10.2955 -10.2916 -10.2916 -7.8083 -7.8083 -7.7791 -7.7791 -7.7564 -7.7564 -7.7363 -7.7363 -7.7262 -7.7262 -7.7206 -7.7206 -6.4953 -6.4953 -6.4726 -6.4726 -3.7677 -3.7677 -3.6735 -3.6735 -0.3930 -0.3930 -0.2969 -0.2969 2.3327 2.3327 3.1126 3.1126 4.4648 4.4648 5.1767 5.1767 5.4656 5.4656 5.6022 5.6022 6.0837 6.0837 6.5117 6.5117 6.7029 6.7029 7.6143 7.6143 8.5364 8.5364 9.4181 9.4181 9.9610 9.9610 10.3514 10.3514 11.1442 11.1442 k =-0.3029 0.2567 0.3970 ( 5817 PWs) bands (ev): -10.3180 -10.3180 -10.3094 -10.3094 -10.2954 -10.2954 -10.2916 -10.2916 -7.8101 -7.8101 -7.7792 -7.7792 -7.7551 -7.7551 -7.7366 -7.7366 -7.7265 -7.7265 -7.7204 -7.7204 -6.5258 -6.5258 -6.4511 -6.4511 -3.7619 -3.7619 -3.6674 -3.6674 -0.3695 -0.3695 -0.2620 -0.2620 2.3086 2.3086 3.1551 3.1551 4.4029 4.4029 5.1797 5.1797 5.4614 5.4614 5.6304 5.6304 6.0355 6.0355 6.4144 6.4144 6.6076 6.6076 7.5966 7.5966 8.5626 8.5626 9.4258 9.4258 9.9823 9.9823 10.3812 10.3812 11.1625 11.1625 k =-0.2928 0.2481 0.3838 ( 5813 PWs) bands (ev): -10.3180 -10.3180 -10.3097 -10.3097 -10.2954 -10.2954 -10.2916 -10.2916 -7.8118 -7.8118 -7.7793 -7.7793 -7.7538 -7.7538 -7.7370 -7.7370 -7.7268 -7.7268 -7.7202 -7.7202 -6.5575 -6.5575 -6.4289 -6.4289 -3.7547 -3.7547 -3.6609 -3.6609 -0.3487 -0.3487 -0.2260 -0.2260 2.2886 2.2886 3.2049 3.2049 4.3441 4.3441 5.1669 5.1669 5.4364 5.4364 5.6574 5.6574 5.9906 5.9906 6.3267 6.3267 6.5253 6.5253 7.5680 7.5680 8.5955 8.5955 9.4364 9.4364 10.0073 10.0073 10.4141 10.4141 11.1796 11.1796 k =-0.2827 0.2396 0.3706 ( 5817 PWs) bands (ev): -10.3180 -10.3180 -10.3100 -10.3100 -10.2953 -10.2953 -10.2916 -10.2916 -7.8134 -7.8134 -7.7794 -7.7794 -7.7525 -7.7525 -7.7374 -7.7374 -7.7270 -7.7270 -7.7199 -7.7199 -6.5894 -6.5894 -6.4065 -6.4065 -3.7464 -3.7464 -3.6540 -3.6540 -0.3307 -0.3307 -0.1888 -0.1888 2.2727 2.2727 3.2618 3.2618 4.2884 4.2884 5.1376 5.1376 5.4052 5.4052 5.6607 5.6607 5.9502 5.9502 6.2480 6.2480 6.4640 6.4640 7.5288 7.5288 8.6355 8.6355 9.4506 9.4506 10.0359 10.0359 10.4497 10.4497 11.1969 11.1969 k =-0.2726 0.2310 0.3573 ( 5831 PWs) bands (ev): -10.3180 -10.3180 -10.3103 -10.3103 -10.2953 -10.2953 -10.2916 -10.2916 -7.8148 -7.8148 -7.7795 -7.7795 -7.7513 -7.7513 -7.7378 -7.7378 -7.7272 -7.7272 -7.7196 -7.7196 -6.6215 -6.6215 -6.3841 -6.3841 -3.7368 -3.7368 -3.6468 -3.6468 -0.3154 -0.3154 -0.1507 -0.1507 2.2611 2.2611 3.3253 3.3253 4.2361 4.2361 5.0925 5.0925 5.3719 5.3719 5.6330 5.6330 5.9113 5.9113 6.1750 6.1750 6.4330 6.4330 7.4796 7.4796 8.6826 8.6826 9.4686 9.4686 10.0677 10.0677 10.4877 10.4877 11.2157 11.2157 k =-0.2625 0.2225 0.3441 ( 5839 PWs) bands (ev): -10.3180 -10.3180 -10.3106 -10.3106 -10.2953 -10.2953 -10.2917 -10.2917 -7.8160 -7.8160 -7.7797 -7.7797 -7.7501 -7.7501 -7.7382 -7.7382 -7.7273 -7.7273 -7.7193 -7.7193 -6.6535 -6.6535 -6.3619 -6.3619 -3.7262 -3.7262 -3.6392 -3.6392 -0.3028 -0.3028 -0.1118 -0.1118 2.2538 2.2538 3.3950 3.3950 4.1873 4.1873 5.0334 5.0334 5.3375 5.3375 5.5796 5.5796 5.8682 5.8682 6.1030 6.1030 6.4356 6.4356 7.4208 7.4208 8.7370 8.7370 9.4910 9.4910 10.1025 10.1025 10.5278 10.5278 11.2368 11.2368 k =-0.2524 0.2139 0.3309 ( 5843 PWs) bands (ev): -10.3180 -10.3180 -10.3109 -10.3109 -10.2952 -10.2952 -10.2917 -10.2917 -7.8170 -7.8170 -7.7798 -7.7798 -7.7490 -7.7490 -7.7387 -7.7387 -7.7273 -7.7273 -7.7190 -7.7190 -6.6854 -6.6854 -6.3400 -6.3400 -3.7145 -3.7145 -3.6312 -3.6312 -0.2925 -0.2925 -0.0721 -0.0721 2.2508 2.2508 3.4702 3.4702 4.1422 4.1422 4.9626 4.9626 5.3012 5.3012 5.5102 5.5102 5.8188 5.8188 6.0300 6.0300 6.4652 6.4652 7.3535 7.3535 8.7983 8.7983 9.5179 9.5179 10.1398 10.1398 10.5696 10.5696 11.2607 11.2607 k =-0.2423 0.2054 0.3176 ( 5843 PWs) bands (ev): -10.3180 -10.3180 -10.3112 -10.3112 -10.2951 -10.2951 -10.2918 -10.2918 -7.8179 -7.8179 -7.7799 -7.7799 -7.7480 -7.7480 -7.7392 -7.7392 -7.7272 -7.7272 -7.7187 -7.7187 -6.7170 -6.7170 -6.3184 -6.3184 -3.7019 -3.7019 -3.6229 -3.6229 -0.2843 -0.2843 -0.0319 -0.0319 2.2521 2.2521 3.5503 3.5503 4.1009 4.1009 4.8829 4.8829 5.2610 5.2610 5.4336 5.4336 5.7647 5.7647 5.9561 5.9561 6.5119 6.5119 7.2785 7.2785 8.8662 8.8662 9.5497 9.5497 10.1792 10.1792 10.6124 10.6124 11.2878 11.2878 k =-0.2322 0.1968 0.3044 ( 5843 PWs) bands (ev): -10.3180 -10.3180 -10.3114 -10.3114 -10.2951 -10.2951 -10.2919 -10.2919 -7.8186 -7.8186 -7.7801 -7.7801 -7.7470 -7.7470 -7.7398 -7.7398 -7.7269 -7.7269 -7.7184 -7.7184 -6.7481 -6.7481 -6.2973 -6.2973 -3.6884 -3.6884 -3.6141 -3.6141 -0.2782 -0.2782 0.0086 0.0086 2.2577 2.2577 3.6346 3.6346 4.0636 4.0636 4.7967 4.7967 5.2129 5.2129 5.3581 5.3581 5.7082 5.7082 5.8811 5.8811 6.5679 6.5679 7.1971 7.1971 8.9401 8.9401 9.5863 9.5863 10.2201 10.2201 10.6560 10.6560 11.3182 11.3182 k =-0.2221 0.1882 0.2912 ( 5847 PWs) bands (ev): -10.3180 -10.3180 -10.3116 -10.3116 -10.2950 -10.2950 -10.2920 -10.2920 -7.8191 -7.8191 -7.7802 -7.7802 -7.7462 -7.7462 -7.7405 -7.7405 -7.7267 -7.7267 -7.7180 -7.7180 -6.7787 -6.7787 -6.2767 -6.2767 -3.6743 -3.6743 -3.6050 -3.6050 -0.2737 -0.2737 0.0493 0.0493 2.2676 2.2676 3.7224 3.7224 4.0304 4.0304 4.7061 4.7061 5.1509 5.1509 5.2926 5.2926 5.6505 5.6505 5.8053 5.8053 6.6275 6.6275 7.1110 7.1110 9.0192 9.0192 9.6277 9.6277 10.2619 10.2619 10.6998 10.6998 11.3517 11.3517 k =-0.2120 0.1797 0.2779 ( 5861 PWs) bands (ev): -10.3180 -10.3180 -10.3118 -10.3118 -10.2950 -10.2950 -10.2921 -10.2921 -7.8194 -7.8194 -7.7803 -7.7803 -7.7454 -7.7454 -7.7412 -7.7412 -7.7263 -7.7263 -7.7177 -7.7177 -6.8086 -6.8086 -6.2567 -6.2567 -3.6596 -3.6596 -3.5955 -3.5955 -0.2706 -0.2706 0.0901 0.0901 2.2817 2.2817 3.8127 3.8127 4.0013 4.0013 4.6131 4.6131 5.0735 5.0735 5.2406 5.2406 5.5919 5.5919 5.7290 5.7290 6.6853 6.6853 7.0238 7.0238 9.1027 9.1027 9.6738 9.6738 10.3039 10.3039 10.7439 10.7439 11.3879 11.3879 k =-0.2019 0.1711 0.2647 ( 5859 PWs) bands (ev): -10.3180 -10.3180 -10.3120 -10.3120 -10.2949 -10.2949 -10.2922 -10.2922 -7.8196 -7.8196 -7.7805 -7.7805 -7.7446 -7.7446 -7.7419 -7.7419 -7.7258 -7.7258 -7.7174 -7.7174 -6.8377 -6.8377 -6.2374 -6.2374 -3.6444 -3.6444 -3.5857 -3.5857 -0.2688 -0.2688 0.1307 0.1307 2.3000 2.3000 3.9045 3.9045 3.9768 3.9768 4.5191 4.5191 4.9861 4.9861 5.1984 5.1984 5.5314 5.5314 5.6539 5.6539 6.7297 6.7297 6.9465 6.9465 9.1896 9.1896 9.7242 9.7242 10.3452 10.3452 10.7880 10.7880 11.4254 11.4254 k =-0.1918 0.1626 0.2515 ( 5853 PWs) bands (ev): -10.3180 -10.3180 -10.3121 -10.3121 -10.2948 -10.2948 -10.2923 -10.2923 -7.8197 -7.8197 -7.7806 -7.7806 -7.7439 -7.7439 -7.7427 -7.7427 -7.7253 -7.7253 -7.7171 -7.7171 -6.8659 -6.8659 -6.2189 -6.2189 -3.6289 -3.6289 -3.5756 -3.5756 -0.2678 -0.2678 0.1709 0.1709 2.3226 2.3226 3.9548 3.9548 3.9988 3.9988 4.4257 4.4257 4.8943 4.8943 5.1611 5.1611 5.4670 5.4670 5.5824 5.5824 6.7234 6.7234 6.9165 6.9165 9.2790 9.2790 9.7784 9.7784 10.3850 10.3850 10.8324 10.8324 11.4615 11.4615 k =-0.1817 0.1540 0.2382 ( 5851 PWs) bands (ev): -10.3180 -10.3180 -10.3123 -10.3123 -10.2948 -10.2948 -10.2925 -10.2925 -7.8196 -7.8196 -7.7807 -7.7807 -7.7435 -7.7435 -7.7433 -7.7433 -7.7248 -7.7248 -7.7167 -7.7167 -6.8932 -6.8932 -6.2012 -6.2012 -3.6133 -3.6133 -3.5652 -3.5652 -0.2677 -0.2677 0.2106 0.2106 2.3491 2.3491 3.9391 3.9391 4.0903 4.0903 4.3345 4.3345 4.8014 4.8014 5.1263 5.1263 5.3964 5.3964 5.5176 5.5176 6.6503 6.6503 6.9501 6.9501 9.3697 9.3697 9.8361 9.8361 10.4222 10.4222 10.8775 10.8775 11.4910 11.4910 k =-0.1716 0.1455 0.2250 ( 5855 PWs) bands (ev): -10.3179 -10.3179 -10.3124 -10.3124 -10.2947 -10.2947 -10.2926 -10.2926 -7.8194 -7.8194 -7.7809 -7.7809 -7.7443 -7.7443 -7.7428 -7.7428 -7.7242 -7.7242 -7.7164 -7.7164 -6.9194 -6.9194 -6.1844 -6.1844 -3.5976 -3.5976 -3.5545 -3.5545 -0.2680 -0.2680 0.2495 0.2495 2.3797 2.3797 3.9266 3.9266 4.1750 4.1750 4.2526 4.2526 4.7095 4.7095 5.0920 5.0920 5.3198 5.3198 5.4605 5.4605 6.5513 6.5513 7.0073 7.0073 9.4608 9.4608 9.8965 9.8965 10.4559 10.4559 10.9239 10.9239 11.5105 11.5105 k =-0.1615 0.1369 0.2118 ( 5855 PWs) bands (ev): -10.3179 -10.3179 -10.3125 -10.3125 -10.2946 -10.2946 -10.2928 -10.2928 -7.8190 -7.8190 -7.7810 -7.7810 -7.7452 -7.7452 -7.7423 -7.7423 -7.7236 -7.7236 -7.7161 -7.7161 -6.9444 -6.9444 -6.1684 -6.1684 -3.5820 -3.5820 -3.5436 -3.5436 -0.2688 -0.2688 0.2874 0.2874 2.4142 2.4142 3.9170 3.9170 4.1511 4.1511 4.2817 4.2817 4.6197 4.6197 5.0564 5.0564 5.2404 5.2404 5.4103 5.4103 6.4437 6.4437 7.0715 7.0715 9.5510 9.5510 9.9590 9.9590 10.4852 10.4852 10.9722 10.9722 11.5225 11.5225 k =-0.1514 0.1283 0.1985 ( 5843 PWs) bands (ev): -10.3179 -10.3179 -10.3126 -10.3126 -10.2946 -10.2946 -10.2929 -10.2929 -7.8186 -7.8186 -7.7811 -7.7811 -7.7460 -7.7460 -7.7418 -7.7418 -7.7231 -7.7231 -7.7159 -7.7159 -6.9682 -6.9682 -6.1535 -6.1535 -3.5667 -3.5667 -3.5325 -3.5325 -0.2698 -0.2698 0.3241 0.3241 2.4525 2.4525 3.9076 3.9076 4.0771 4.0771 4.3646 4.3646 4.5339 4.5339 5.0153 5.0153 5.1643 5.1643 5.3652 5.3652 6.3324 6.3324 7.1387 7.1387 9.6391 9.6391 10.0227 10.0227 10.5096 10.5096 11.0228 11.0228 11.5319 11.5319 k =-0.1414 0.1198 0.1853 ( 5833 PWs) bands (ev): -10.3179 -10.3179 -10.3127 -10.3127 -10.2945 -10.2945 -10.2930 -10.2930 -7.8181 -7.8181 -7.7813 -7.7813 -7.7469 -7.7469 -7.7413 -7.7413 -7.7225 -7.7225 -7.7156 -7.7156 -6.9907 -6.9907 -6.1395 -6.1395 -3.5518 -3.5518 -3.5213 -3.5213 -0.2708 -0.2708 0.3594 0.3594 2.4944 2.4944 3.8899 3.8899 4.0174 4.0174 4.4250 4.4250 4.4721 4.4721 4.9621 4.9621 5.1003 5.1003 5.3242 5.3242 6.2193 6.2193 7.2078 7.2078 9.7237 9.7237 10.0869 10.0869 10.5291 10.5291 11.0758 11.0758 11.5417 11.5417 k =-0.1313 0.1112 0.1720 ( 5835 PWs) bands (ev): -10.3179 -10.3179 -10.3128 -10.3128 -10.2944 -10.2944 -10.2932 -10.2932 -7.8176 -7.8176 -7.7814 -7.7814 -7.7477 -7.7477 -7.7409 -7.7409 -7.7220 -7.7220 -7.7153 -7.7153 -7.0119 -7.0119 -6.1264 -6.1264 -3.5375 -3.5375 -3.5100 -3.5100 -0.2719 -0.2719 0.3931 0.3931 2.5397 2.5397 3.8502 3.8502 3.9883 3.9883 4.3631 4.3631 4.5305 4.5305 4.8937 4.8937 5.0542 5.0542 5.2866 5.2866 6.1055 6.1055 7.2784 7.2784 9.8033 9.8033 10.1509 10.1509 10.5441 10.5441 11.1311 11.1311 11.5533 11.5533 k =-0.1212 0.1027 0.1588 ( 5831 PWs) bands (ev): -10.3179 -10.3179 -10.3128 -10.3128 -10.2944 -10.2944 -10.2933 -10.2933 -7.8170 -7.8170 -7.7815 -7.7815 -7.7485 -7.7485 -7.7405 -7.7405 -7.7215 -7.7215 -7.7151 -7.7151 -7.0317 -7.0317 -6.1144 -6.1144 -3.5239 -3.5239 -3.4987 -3.4987 -0.2729 -0.2729 0.4251 0.4251 2.5883 2.5883 3.7926 3.7926 3.9859 3.9859 4.2893 4.2893 4.5935 4.5935 4.8197 4.8197 5.0220 5.0220 5.2522 5.2522 5.9919 5.9919 7.3503 7.3503 9.8761 9.8761 10.2140 10.2140 10.5555 10.5555 11.1882 11.1882 11.5675 11.5675 k =-0.1111 0.0941 0.1456 ( 5833 PWs) bands (ev): -10.3179 -10.3179 -10.3128 -10.3128 -10.2943 -10.2943 -10.2935 -10.2935 -7.8163 -7.8163 -7.7816 -7.7816 -7.7494 -7.7494 -7.7401 -7.7401 -7.7210 -7.7210 -7.7149 -7.7149 -7.0500 -7.0500 -6.1034 -6.1034 -3.5112 -3.5112 -3.4876 -3.4876 -0.2738 -0.2738 0.4551 0.4551 2.6399 2.6399 3.7306 3.7306 3.9965 3.9965 4.2201 4.2201 4.6231 4.6231 4.7676 4.7676 4.9990 4.9990 5.2208 5.2208 5.8792 5.8792 7.4234 7.4234 9.9402 9.9402 10.2755 10.2755 10.5647 10.5647 11.2464 11.2464 11.5848 11.5848 k =-0.1010 0.0856 0.1323 ( 5843 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2943 -10.2943 -10.2936 -10.2936 -7.8157 -7.8157 -7.7817 -7.7817 -7.7501 -7.7501 -7.7398 -7.7398 -7.7206 -7.7206 -7.7147 -7.7147 -7.0669 -7.0669 -6.0934 -6.0934 -3.4994 -3.4994 -3.4766 -3.4766 -0.2745 -0.2745 0.4830 0.4830 2.6942 2.6942 3.6706 3.6706 4.0117 4.0117 4.1584 4.1584 4.5806 4.5806 4.7772 4.7772 4.9837 4.9837 5.1923 5.1923 5.7681 5.7681 7.4971 7.4971 9.9935 9.9935 10.3352 10.3352 10.5730 10.5730 11.3047 11.3047 11.6053 11.6053 k =-0.0909 0.0770 0.1191 ( 5849 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2942 -10.2942 -10.2937 -10.2937 -7.8151 -7.8151 -7.7818 -7.7818 -7.7509 -7.7509 -7.7395 -7.7395 -7.7202 -7.7202 -7.7145 -7.7145 -7.0823 -7.0823 -6.0845 -6.0845 -3.4886 -3.4886 -3.4661 -3.4661 -0.2751 -0.2751 0.5087 0.5087 2.7508 2.7508 3.6148 3.6148 4.0213 4.0213 4.1120 4.1120 4.5039 4.5039 4.8093 4.8093 4.9781 4.9781 5.1667 5.1667 5.6593 5.6593 7.5709 7.5709 10.0343 10.0343 10.3926 10.3926 10.5821 10.5821 11.3619 11.3619 11.6292 11.6292 k =-0.0808 0.0685 0.1059 ( 5853 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2942 -10.2942 -10.2939 -10.2939 -7.8144 -7.8144 -7.7819 -7.7819 -7.7516 -7.7516 -7.7392 -7.7392 -7.7198 -7.7198 -7.7143 -7.7143 -7.0961 -7.0961 -6.0765 -6.0765 -3.4788 -3.4788 -3.4562 -3.4562 -0.2755 -0.2755 0.5319 0.5319 2.8090 2.8090 3.5645 3.5645 4.0028 4.0028 4.1000 4.1000 4.4245 4.4245 4.8313 4.8313 4.9859 4.9859 5.1442 5.1442 5.5539 5.5539 7.6438 7.6438 10.0618 10.0618 10.4472 10.4472 10.5929 10.5929 11.4170 11.4170 11.6562 11.6562 k =-0.0707 0.0599 0.0926 ( 5849 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2941 -10.2941 -10.2940 -10.2940 -7.8138 -7.8138 -7.7820 -7.7820 -7.7522 -7.7522 -7.7390 -7.7390 -7.7195 -7.7195 -7.7142 -7.7142 -7.1083 -7.1083 -6.0695 -6.0695 -3.4700 -3.4700 -3.4470 -3.4470 -0.2758 -0.2758 0.5527 0.5527 2.8682 2.8682 3.5207 3.5207 3.9634 3.9634 4.1080 4.1080 4.3562 4.3562 4.8369 4.8369 5.0061 5.0061 5.1251 5.1251 5.4528 5.4528 7.7148 7.7148 10.0763 10.0763 10.4985 10.4985 10.6055 10.6055 11.4686 11.4686 11.6862 11.6862 k =-0.0606 0.0513 0.0794 ( 5865 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2941 -10.2941 -10.2940 -10.2940 -7.8133 -7.8133 -7.7821 -7.7821 -7.7528 -7.7528 -7.7387 -7.7387 -7.7192 -7.7192 -7.7141 -7.7141 -7.1189 -7.1189 -6.0634 -6.0634 -3.4623 -3.4623 -3.4387 -3.4387 -0.2759 -0.2759 0.5708 0.5708 2.9271 2.9271 3.4840 3.4840 3.9223 3.9223 4.1004 4.1004 4.3177 4.3177 4.8303 4.8303 5.0308 5.0308 5.1104 5.1104 5.3575 5.3575 7.7823 7.7823 10.0796 10.0796 10.5454 10.5454 10.6195 10.6195 11.5155 11.5155 11.7184 11.7184 k =-0.0505 0.0428 0.0662 ( 5873 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2942 -10.2942 -10.2940 -10.2940 -7.8128 -7.8128 -7.7822 -7.7822 -7.7533 -7.7533 -7.7385 -7.7385 -7.7190 -7.7190 -7.7140 -7.7140 -7.1279 -7.1279 -6.0583 -6.0583 -3.4558 -3.4558 -3.4315 -3.4315 -0.2759 -0.2759 0.5863 0.5863 2.9840 2.9840 3.4556 3.4556 3.8846 3.8846 4.0602 4.0602 4.3221 4.3221 4.8158 4.8158 5.0504 5.0504 5.1035 5.1035 5.2702 5.2702 7.8447 7.8447 10.0746 10.0746 10.5870 10.5870 10.6339 10.6339 11.5566 11.5566 11.7520 11.7520 k =-0.0404 0.0342 0.0529 ( 5881 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2942 -10.2942 -10.2940 -10.2940 -7.8124 -7.8124 -7.7823 -7.7823 -7.7537 -7.7537 -7.7384 -7.7384 -7.7188 -7.7188 -7.7139 -7.7139 -7.1353 -7.1353 -6.0542 -6.0542 -3.4503 -3.4503 -3.4254 -3.4254 -0.2759 -0.2759 0.5991 0.5991 3.0365 3.0365 3.4367 3.4367 3.8511 3.8511 4.0017 4.0017 4.3558 4.3558 4.7946 4.7946 5.0567 5.0567 5.1087 5.1087 5.1941 5.1941 7.8998 7.8998 10.0644 10.0644 10.6220 10.6220 10.6478 10.6478 11.5912 11.5912 11.7854 11.7854 k =-0.0303 0.0257 0.0397 ( 5885 PWs) bands (ev): -10.3179 -10.3179 -10.3129 -10.3129 -10.2943 -10.2943 -10.2940 -10.2940 -7.8121 -7.8121 -7.7823 -7.7823 -7.7540 -7.7540 -7.7382 -7.7382 -7.7187 -7.7187 -7.7138 -7.7138 -7.1411 -7.1411 -6.0510 -6.0510 -3.4460 -3.4460 -3.4206 -3.4206 -0.2758 -0.2758 0.6090 0.6090 3.0812 3.0812 3.4283 3.4283 3.8209 3.8209 3.9433 3.9433 4.4025 4.4025 4.7662 4.7662 5.0537 5.0537 5.1137 5.1137 5.1393 5.1393 7.9457 7.9457 10.0524 10.0524 10.6476 10.6476 10.6621 10.6621 11.6187 11.6187 11.8165 11.8165 k =-0.0202 0.0171 0.0265 ( 5897 PWs) bands (ev): -10.3178 -10.3178 -10.3129 -10.3129 -10.2943 -10.2943 -10.2940 -10.2940 -7.8119 -7.8119 -7.7823 -7.7823 -7.7543 -7.7543 -7.7381 -7.7381 -7.7186 -7.7186 -7.7138 -7.7138 -7.1452 -7.1452 -6.0487 -6.0487 -3.4429 -3.4429 -3.4172 -3.4172 -0.2758 -0.2758 0.6162 0.6162 3.1147 3.1147 3.4297 3.4297 3.7929 3.7929 3.8967 3.8967 4.4535 4.4535 4.7309 4.7309 5.0491 5.0491 5.0806 5.0806 5.1389 5.1389 7.9802 7.9802 10.0414 10.0414 10.6612 10.6612 10.6779 10.6779 11.6386 11.6386 11.8426 11.8426 k =-0.0101 0.0086 0.0132 ( 5909 PWs) bands (ev): -10.3178 -10.3178 -10.3129 -10.3129 -10.2944 -10.2944 -10.2940 -10.2940 -7.8117 -7.8117 -7.7824 -7.7824 -7.7544 -7.7544 -7.7381 -7.7381 -7.7185 -7.7185 -7.7138 -7.7138 -7.1477 -7.1477 -6.0474 -6.0474 -3.4411 -3.4411 -3.4151 -3.4151 -0.2757 -0.2757 0.6205 0.6205 3.1348 3.1348 3.4365 3.4365 3.7695 3.7695 3.8687 3.8687 4.4997 4.4997 4.6943 4.6943 5.0450 5.0450 5.0553 5.0553 5.1457 5.1457 8.0017 8.0017 10.0338 10.0338 10.6676 10.6676 10.6896 10.6896 11.6507 11.6507 11.8604 11.8604 k = 0.0000 0.0000 0.0000 ( 5907 PWs) bands (ev): -10.3178 -10.3178 -10.3129 -10.3129 -10.2944 -10.2944 -10.2940 -10.2940 -7.8117 -7.8117 -7.7824 -7.7824 -7.7544 -7.7544 -7.7381 -7.7381 -7.7185 -7.7185 -7.7138 -7.7138 -7.1485 -7.1485 -6.0469 -6.0469 -3.4404 -3.4404 -3.4144 -3.4144 -0.2757 -0.2757 0.6219 0.6219 3.1414 3.1414 3.4403 3.4403 3.7598 3.7598 3.8598 3.8598 4.5215 4.5215 4.6755 4.6755 5.0417 5.0417 5.0487 5.0487 5.1482 5.1482 8.0090 8.0090 10.0311 10.0311 10.6696 10.6696 10.6937 10.6937 11.6547 11.6547 11.8667 11.8667 k = 0.0000 0.0000 0.0000 ( 5907 PWs) bands (ev): -10.3178 -10.3178 -10.3129 -10.3129 -10.2944 -10.2944 -10.2940 -10.2940 -7.8117 -7.8117 -7.7824 -7.7824 -7.7544 -7.7544 -7.7381 -7.7381 -7.7185 -7.7185 -7.7138 -7.7138 -7.1485 -7.1485 -6.0469 -6.0469 -3.4404 -3.4404 -3.4144 -3.4144 -0.2757 -0.2757 0.6219 0.6219 3.1414 3.1414 3.4403 3.4403 3.7598 3.7598 3.8598 3.8598 4.5215 4.5215 4.6755 4.6755 5.0417 5.0417 5.0487 5.0487 5.1482 5.1482 8.0090 8.0090 10.0311 10.0311 10.6696 10.6696 10.6937 10.6937 11.6547 11.6547 11.8667 11.8667 k = 0.0122 0.0144-0.0000 ( 5915 PWs) bands (ev): -10.3178 -10.3178 -10.3129 -10.3129 -10.2944 -10.2944 -10.2939 -10.2939 -7.8116 -7.8116 -7.7823 -7.7823 -7.7544 -7.7544 -7.7381 -7.7381 -7.7186 -7.7186 -7.7138 -7.7138 -7.1480 -7.1480 -6.0471 -6.0471 -3.4409 -3.4409 -3.4148 -3.4148 -0.2759 -0.2759 0.6174 0.6174 3.1415 3.1415 3.4472 3.4472 3.7585 3.7585 3.8587 3.8587 4.5234 4.5234 4.6784 4.6784 5.0099 5.0099 5.0461 5.0461 5.1870 5.1870 8.0092 8.0092 10.0263 10.0263 10.6684 10.6684 10.6925 10.6925 11.6553 11.6553 11.8567 11.8567 k = 0.0244 0.0288-0.0000 ( 5923 PWs) bands (ev): -10.3178 -10.3178 -10.3129 -10.3129 -10.2946 -10.2946 -10.2938 -10.2938 -7.8113 -7.8113 -7.7821 -7.7821 -7.7544 -7.7544 -7.7383 -7.7383 -7.7188 -7.7188 -7.7139 -7.7139 -7.1464 -7.1464 -6.0476 -6.0476 -3.4423 -3.4423 -3.4162 -3.4162 -0.2763 -0.2763 0.6042 0.6042 3.1419 3.1419 3.4676 3.4676 3.7551 3.7551 3.8557 3.8557 4.5288 4.5288 4.6852 4.6852 4.9466 4.9466 5.0591 5.0591 5.2519 5.2519 8.0098 8.0098 10.0118 10.0118 10.6648 10.6648 10.6890 10.6890 11.6567 11.6567 11.8278 11.8278 k = 0.0366 0.0432-0.0000 ( 5923 PWs) bands (ev): -10.3177 -10.3177 -10.3130 -10.3130 -10.2947 -10.2947 -10.2936 -10.2936 -7.8108 -7.8108 -7.7817 -7.7817 -7.7544 -7.7544 -7.7386 -7.7386 -7.7190 -7.7190 -7.7142 -7.7142 -7.1436 -7.1436 -6.0484 -6.0484 -3.4445 -3.4445 -3.4184 -3.4184 -0.2771 -0.2771 0.5827 0.5827 3.1426 3.1426 3.5006 3.5006 3.7503 3.7503 3.8508 3.8508 4.5378 4.5378 4.6886 4.6886 4.8899 4.8899 5.0805 5.0805 5.3189 5.3189 8.0107 8.0107 9.9879 9.9879 10.6587 10.6587 10.6835 10.6835 11.6584 11.6584 11.7834 11.7834 k = 0.0488 0.0576-0.0000 ( 5871 PWs) bands (ev): -10.3175 -10.3175 -10.3130 -10.3130 -10.2949 -10.2949 -10.2934 -10.2934 -7.8102 -7.8102 -7.7811 -7.7811 -7.7543 -7.7543 -7.7391 -7.7391 -7.7194 -7.7194 -7.7144 -7.7144 -7.1398 -7.1398 -6.0496 -6.0496 -3.4476 -3.4476 -3.4215 -3.4215 -0.2783 -0.2783 0.5535 0.5535 3.1436 3.1436 3.5440 3.5440 3.7463 3.7463 3.8445 3.8445 4.5505 4.5505 4.6709 4.6709 4.8604 4.8604 5.1099 5.1099 5.3845 5.3845 8.0120 8.0120 9.9548 9.9548 10.6498 10.6498 10.6762 10.6762 11.6597 11.6597 11.7274 11.7274 k = 0.0610 0.0720-0.0000 ( 5872 PWs) bands (ev): -10.3174 -10.3174 -10.3130 -10.3130 -10.2950 -10.2950 -10.2933 -10.2933 -7.8094 -7.8094 -7.7804 -7.7804 -7.7542 -7.7542 -7.7396 -7.7396 -7.7199 -7.7199 -7.7148 -7.7148 -7.1350 -7.1350 -6.0511 -6.0511 -3.4516 -3.4516 -3.4255 -3.4255 -0.2798 -0.2798 0.5175 0.5175 3.1448 3.1448 3.5927 3.5927 3.7478 3.7478 3.8372 3.8372 4.5667 4.5667 4.6211 4.6211 4.8698 4.8698 5.1467 5.1467 5.4475 5.4475 8.0136 8.0136 9.9128 9.9128 10.6379 10.6379 10.6675 10.6675 11.6592 11.6592 11.6633 11.6633 k = 0.0732 0.0863-0.0000 ( 5868 PWs) bands (ev): -10.3172 -10.3172 -10.3130 -10.3130 -10.2952 -10.2952 -10.2931 -10.2931 -7.8085 -7.8085 -7.7796 -7.7796 -7.7541 -7.7541 -7.7403 -7.7403 -7.7205 -7.7205 -7.7153 -7.7153 -7.1291 -7.1291 -6.0529 -6.0529 -3.4565 -3.4565 -3.4303 -3.4303 -0.2817 -0.2817 0.4756 0.4756 3.1464 3.1464 3.6339 3.6339 3.7676 3.7676 3.8292 3.8292 4.5521 4.5521 4.5865 4.5865 4.9049 4.9049 5.1904 5.1904 5.5074 5.5074 8.0156 8.0156 9.8626 9.8626 10.6224 10.6224 10.6577 10.6577 11.5942 11.5942 11.6556 11.6556 k = 0.0854 0.1007-0.0000 ( 5856 PWs) bands (ev): -10.3169 -10.3169 -10.3130 -10.3130 -10.2953 -10.2953 -10.2930 -10.2930 -7.8074 -7.8074 -7.7786 -7.7786 -7.7540 -7.7540 -7.7411 -7.7411 -7.7212 -7.7212 -7.7158 -7.7158 -7.1222 -7.1222 -6.0551 -6.0551 -3.4621 -3.4621 -3.4359 -3.4359 -0.2841 -0.2841 0.4287 0.4287 3.1483 3.1483 3.6522 3.6522 3.8207 3.8207 3.8210 3.8210 4.4755 4.4755 4.6097 4.6097 4.9542 4.9542 5.2403 5.2403 5.5637 5.5637 8.0179 8.0179 9.8048 9.8048 10.6028 10.6028 10.6472 10.6472 11.5225 11.5225 11.6472 11.6472 k = 0.0976 0.1151-0.0000 ( 5848 PWs) bands (ev): -10.3167 -10.3167 -10.3130 -10.3130 -10.2954 -10.2954 -10.2928 -10.2928 -7.8061 -7.8061 -7.7775 -7.7775 -7.7539 -7.7539 -7.7419 -7.7419 -7.7220 -7.7220 -7.7164 -7.7164 -7.1143 -7.1143 -6.0575 -6.0575 -3.4686 -3.4686 -3.4423 -3.4423 -0.2870 -0.2870 0.3778 0.3778 3.1507 3.1507 3.6534 3.6534 3.8131 3.8131 3.9006 3.9006 4.3962 4.3962 4.6362 4.6362 5.0126 5.0126 5.2958 5.2958 5.6163 5.6163 8.0206 8.0206 9.7402 9.7402 10.5785 10.5785 10.6358 10.6358 11.4504 11.4504 11.6321 11.6321 k = 0.1098 0.1295-0.0000 ( 5848 PWs) bands (ev): -10.3164 -10.3164 -10.3130 -10.3130 -10.2956 -10.2956 -10.2927 -10.2927 -7.8047 -7.8047 -7.7763 -7.7763 -7.7537 -7.7537 -7.7429 -7.7429 -7.7229 -7.7229 -7.7170 -7.7170 -7.1054 -7.1054 -6.0601 -6.0601 -3.4757 -3.4757 -3.4494 -3.4494 -0.2904 -0.2904 0.3237 0.3237 3.1533 3.1533 3.6483 3.6483 3.8058 3.8058 3.9959 3.9959 4.3165 4.3165 4.6659 4.6659 5.0779 5.0779 5.3564 5.3564 5.6650 5.6650 8.0236 8.0236 9.6695 9.6695 10.5488 10.5488 10.6237 10.6237 11.3800 11.3800 11.6081 11.6081 k = 0.1220 0.1439-0.0000 ( 5848 PWs) bands (ev): -10.3161 -10.3161 -10.3130 -10.3130 -10.2957 -10.2957 -10.2925 -10.2925 -7.8032 -7.8032 -7.7749 -7.7749 -7.7536 -7.7536 -7.7440 -7.7440 -7.7239 -7.7239 -7.7177 -7.7177 -7.0956 -7.0956 -6.0631 -6.0631 -3.4836 -3.4836 -3.4572 -3.4572 -0.2945 -0.2945 0.2673 0.2673 3.1565 3.1565 3.6415 3.6415 3.7995 3.7995 4.1008 4.1008 4.2383 4.2383 4.6987 4.6987 5.1488 5.1488 5.4214 5.4214 5.7097 5.7097 8.0269 8.0269 9.5937 9.5937 10.5129 10.5129 10.6108 10.6108 11.3129 11.3129 11.5734 11.5734 k = 0.1341 0.1583-0.0000 ( 5840 PWs) bands (ev): -10.3158 -10.3158 -10.3130 -10.3130 -10.2958 -10.2958 -10.2924 -10.2924 -7.8017 -7.8017 -7.7734 -7.7734 -7.7534 -7.7534 -7.7451 -7.7451 -7.7249 -7.7249 -7.7184 -7.7184 -7.0850 -7.0850 -6.0662 -6.0662 -3.4920 -3.4920 -3.4657 -3.4657 -0.2992 -0.2992 0.2093 0.2093 3.1600 3.1600 3.6346 3.6346 3.7944 3.7944 4.1521 4.1521 4.2233 4.2233 4.7343 4.7343 5.2243 5.2243 5.4904 5.4904 5.7504 5.7504 8.0305 8.0305 9.5135 9.5135 10.4702 10.4702 10.5968 10.5968 11.2507 11.2507 11.5270 11.5270 k = 0.1463 0.1727-0.0000 ( 5840 PWs) bands (ev): -10.3156 -10.3156 -10.3129 -10.3129 -10.2959 -10.2959 -10.2923 -10.2923 -7.8000 -7.8000 -7.7719 -7.7719 -7.7533 -7.7533 -7.7463 -7.7463 -7.7260 -7.7260 -7.7191 -7.7191 -7.0735 -7.0735 -6.0696 -6.0696 -3.5011 -3.5011 -3.4747 -3.4747 -0.3046 -0.3046 0.1502 0.1502 3.1639 3.1639 3.6282 3.6282 3.7907 3.7907 4.0800 4.0800 4.3409 4.3409 4.7727 4.7727 5.3039 5.3039 5.5629 5.5629 5.7869 5.7869 8.0343 8.0343 9.4298 9.4298 10.4207 10.4207 10.5815 10.5815 11.1944 11.1944 11.4689 11.4689 k = 0.1585 0.1871-0.0000 ( 5836 PWs) bands (ev): -10.3154 -10.3154 -10.3128 -10.3128 -10.2960 -10.2960 -10.2921 -10.2921 -7.7982 -7.7982 -7.7703 -7.7703 -7.7531 -7.7531 -7.7476 -7.7476 -7.7272 -7.7272 -7.7198 -7.7198 -7.0612 -7.0612 -6.0731 -6.0731 -3.5107 -3.5107 -3.4843 -3.4843 -0.3108 -0.3108 0.0906 0.0906 3.1683 3.1683 3.6226 3.6226 3.7888 3.7888 4.0075 4.0075 4.4678 4.4678 4.8135 4.8135 5.3868 5.3868 5.6382 5.6382 5.8194 5.8194 8.0384 8.0384 9.3435 9.3435 10.3645 10.3645 10.5645 10.5645 11.1446 11.1446 11.4005 11.4005 k = 0.1707 0.2015-0.0000 ( 5836 PWs) bands (ev): -10.3152 -10.3152 -10.3126 -10.3126 -10.2961 -10.2961 -10.2920 -10.2920 -7.7965 -7.7965 -7.7686 -7.7686 -7.7529 -7.7529 -7.7489 -7.7489 -7.7284 -7.7284 -7.7204 -7.7204 -7.0482 -7.0482 -6.0768 -6.0768 -3.5208 -3.5208 -3.4944 -3.4944 -0.3178 -0.3178 0.0310 0.0310 3.1731 3.1731 3.6173 3.6173 3.7886 3.7886 3.9386 3.9386 4.6004 4.6004 4.8567 4.8567 5.4726 5.4726 5.7159 5.7159 5.8479 5.8479 8.0428 8.0428 9.2554 9.2554 10.3023 10.3023 10.5453 10.5453 11.1012 11.1012 11.3243 11.3243 k = 0.1829 0.2159-0.0000 ( 5832 PWs) bands (ev): -10.3151 -10.3151 -10.3124 -10.3124 -10.2962 -10.2962 -10.2919 -10.2919 -7.7947 -7.7947 -7.7669 -7.7669 -7.7527 -7.7527 -7.7502 -7.7502 -7.7297 -7.7297 -7.7211 -7.7211 -7.0345 -7.0345 -6.0807 -6.0807 -3.5313 -3.5313 -3.5049 -3.5049 -0.3257 -0.3257 -0.0282 -0.0282 3.1784 3.1784 3.6113 3.6113 3.7903 3.7903 3.8752 3.8752 4.7377 4.7377 4.9019 4.9019 5.5606 5.5606 5.7956 5.7956 5.8726 5.8726 8.0474 8.0474 9.1662 9.1662 10.2352 10.2352 10.5231 10.5231 11.0639 11.0639 11.2434 11.2434 k = 0.1951 0.2302-0.0000 ( 5856 PWs) bands (ev): -10.3150 -10.3150 -10.3121 -10.3121 -10.2962 -10.2962 -10.2918 -10.2918 -7.7929 -7.7929 -7.7652 -7.7652 -7.7525 -7.7525 -7.7515 -7.7515 -7.7310 -7.7310 -7.7217 -7.7217 -7.0202 -7.0202 -6.0847 -6.0847 -3.5422 -3.5422 -3.5157 -3.5157 -0.3346 -0.3346 -0.0867 -0.0867 3.1840 3.1840 3.6024 3.6024 3.7939 3.7939 3.8198 3.8198 4.8791 4.8791 4.9489 4.9489 5.6500 5.6500 5.8765 5.8765 5.8938 5.8938 8.0522 8.0522 9.0769 9.0769 10.1648 10.1648 10.4973 10.4973 11.0321 11.0321 11.1611 11.1611 k = 0.2073 0.2446-0.0000 ( 5864 PWs) bands (ev): -10.3151 -10.3151 -10.3117 -10.3117 -10.2963 -10.2963 -10.2918 -10.2918 -7.7912 -7.7912 -7.7635 -7.7635 -7.7527 -7.7527 -7.7523 -7.7523 -7.7323 -7.7323 -7.7222 -7.7222 -7.0054 -7.0054 -6.0887 -6.0887 -3.5533 -3.5533 -3.5269 -3.5269 -0.3444 -0.3444 -0.1441 -0.1441 3.1901 3.1901 3.5872 3.5872 3.7762 3.7762 3.7995 3.7995 4.9975 4.9975 5.0240 5.0240 5.7397 5.7397 5.9123 5.9123 5.9583 5.9583 8.0572 8.0572 8.9882 8.9882 10.0925 10.0925 10.4668 10.4668 11.0048 11.0048 11.0804 11.0804 k = 0.2195 0.2590-0.0000 ( 5840 PWs) bands (ev): -10.3151 -10.3151 -10.3113 -10.3113 -10.2963 -10.2963 -10.2917 -10.2917 -7.7896 -7.7896 -7.7620 -7.7620 -7.7537 -7.7537 -7.7521 -7.7521 -7.7335 -7.7335 -7.7227 -7.7227 -6.9901 -6.9901 -6.0929 -6.0929 -3.5647 -3.5647 -3.5383 -3.5383 -0.3551 -0.3551 -0.2001 -0.2001 3.1965 3.1965 3.5620 3.5620 3.7484 3.7484 3.8071 3.8071 5.0475 5.0475 5.1719 5.1719 5.8263 5.8263 5.9311 5.9311 6.0403 6.0403 8.0623 8.0623 8.9010 8.9010 10.0198 10.0198 10.4306 10.4306 10.9815 10.9815 11.0039 11.0039 k = 0.2317 0.2734-0.0000 ( 5840 PWs) bands (ev): -10.3152 -10.3152 -10.3109 -10.3109 -10.2964 -10.2964 -10.2916 -10.2916 -7.7881 -7.7881 -7.7610 -7.7610 -7.7543 -7.7543 -7.7520 -7.7520 -7.7347 -7.7347 -7.7231 -7.7231 -6.9744 -6.9744 -6.0971 -6.0971 -3.5762 -3.5762 -3.5498 -3.5498 -0.3670 -0.3670 -0.2546 -0.2546 3.2032 3.2032 3.5271 3.5271 3.7363 3.7363 3.8165 3.8165 5.0985 5.0985 5.3223 5.3223 5.8938 5.8938 5.9657 5.9657 6.1219 6.1219 8.0676 8.0676 8.8163 8.8163 9.9482 9.9482 10.3876 10.3876 10.9341 10.9341 10.9613 10.9613 k = 0.2439 0.2878-0.0000 ( 5844 PWs) bands (ev): -10.3153 -10.3153 -10.3105 -10.3105 -10.2964 -10.2964 -10.2916 -10.2916 -7.7866 -7.7866 -7.7608 -7.7608 -7.7539 -7.7539 -7.7519 -7.7519 -7.7357 -7.7357 -7.7235 -7.7235 -6.9585 -6.9585 -6.1012 -6.1012 -3.5878 -3.5878 -3.5614 -3.5614 -0.3799 -0.3799 -0.3072 -0.3072 3.2103 3.2103 3.4865 3.4865 3.7357 3.7357 3.8278 3.8278 5.1503 5.1503 5.4743 5.4743 5.9199 5.9199 6.0381 6.0381 6.2023 6.2023 8.0730 8.0730 8.7349 8.7349 9.8792 9.8792 10.3375 10.3375 10.8722 10.8722 10.9438 10.9438 k = 0.2561 0.3022-0.0000 ( 5852 PWs) bands (ev): -10.3154 -10.3154 -10.3100 -10.3100 -10.2964 -10.2964 -10.2916 -10.2916 -7.7854 -7.7854 -7.7614 -7.7614 -7.7528 -7.7528 -7.7519 -7.7519 -7.7366 -7.7366 -7.7238 -7.7238 -6.9423 -6.9423 -6.1054 -6.1054 -3.5994 -3.5994 -3.5731 -3.5731 -0.3947 -0.3947 -0.3570 -0.3570 3.2175 3.2175 3.4444 3.4444 3.7428 3.7428 3.8409 3.8409 5.2026 5.2026 5.6267 5.6267 5.9291 5.9291 6.1242 6.1242 6.2810 6.2810 8.0785 8.0785 8.6580 8.6580 9.8139 9.8139 10.2805 10.2805 10.8190 10.8190 10.9285 10.9285 k = 0.2683 0.3166-0.0000 ( 5844 PWs) bands (ev): -10.3156 -10.3156 -10.3096 -10.3096 -10.2964 -10.2964 -10.2916 -10.2916 -7.7843 -7.7843 -7.7624 -7.7624 -7.7521 -7.7521 -7.7513 -7.7513 -7.7371 -7.7371 -7.7240 -7.7240 -6.9260 -6.9260 -6.1096 -6.1096 -3.6109 -3.6109 -3.5847 -3.5847 -0.4174 -0.4174 -0.3977 -0.3977 3.2250 3.2250 3.4030 3.4030 3.7550 3.7550 3.8556 3.8556 5.2552 5.2552 5.7749 5.7749 5.9371 5.9371 6.2114 6.2114 6.3571 6.3571 8.0841 8.0841 8.5867 8.5867 9.7537 9.7537 10.2177 10.2177 10.7738 10.7738 10.9151 10.9151 k = 0.2805 0.3310-0.0000 ( 5840 PWs) bands (ev): -10.3158 -10.3158 -10.3091 -10.3091 -10.2964 -10.2964 -10.2915 -10.2915 -7.7834 -7.7834 -7.7637 -7.7637 -7.7526 -7.7526 -7.7495 -7.7495 -7.7373 -7.7373 -7.7241 -7.7241 -6.9097 -6.9097 -6.1137 -6.1137 -3.6224 -3.6224 -3.5962 -3.5962 -0.4587 -0.4587 -0.4185 -0.4185 3.2326 3.2326 3.3639 3.3639 3.7708 3.7708 3.8719 3.8719 5.3077 5.3077 5.8822 5.8822 5.9823 5.9823 6.2969 6.2969 6.4298 6.4298 8.0897 8.0897 8.5223 8.5223 9.6996 9.6996 10.1508 10.1508 10.7355 10.7355 10.9034 10.9034 k = 0.2927 0.3454-0.0000 ( 5860 PWs) bands (ev): -10.3159 -10.3159 -10.3087 -10.3087 -10.2964 -10.2964 -10.2916 -10.2916 -7.7826 -7.7826 -7.7649 -7.7649 -7.7534 -7.7534 -7.7477 -7.7477 -7.7371 -7.7371 -7.7242 -7.7242 -6.8935 -6.8935 -6.1177 -6.1177 -3.6336 -3.6336 -3.6076 -3.6076 -0.5026 -0.5026 -0.4351 -0.4351 3.2403 3.2403 3.3276 3.3276 3.7893 3.7893 3.8894 3.8894 5.3598 5.3598 5.8994 5.8994 6.1129 6.1129 6.3800 6.3800 6.4984 6.4984 8.0952 8.0952 8.4664 8.4664 9.6528 9.6528 10.0814 10.0814 10.7027 10.7027 10.8931 10.8931 k = 0.3049 0.3598-0.0000 ( 5860 PWs) bands (ev): -10.3161 -10.3161 -10.3083 -10.3083 -10.2964 -10.2964 -10.2916 -10.2916 -7.7820 -7.7820 -7.7662 -7.7662 -7.7544 -7.7544 -7.7459 -7.7459 -7.7365 -7.7365 -7.7242 -7.7242 -6.8774 -6.8774 -6.1216 -6.1216 -3.6446 -3.6446 -3.6187 -3.6187 -0.5449 -0.5449 -0.4516 -0.4516 3.2481 3.2481 3.2945 3.2945 3.8101 3.8101 3.9082 3.9082 5.4112 5.4112 5.8948 5.8948 6.2578 6.2578 6.4620 6.4620 6.5621 6.5621 8.1007 8.1007 8.4202 8.4202 9.6143 9.6143 10.0111 10.0111 10.6741 10.6741 10.8842 10.8842 k = 0.3171 0.3741-0.0000 ( 5860 PWs) bands (ev): -10.3163 -10.3163 -10.3079 -10.3079 -10.2963 -10.2963 -10.2916 -10.2916 -7.7815 -7.7815 -7.7675 -7.7675 -7.7556 -7.7556 -7.7441 -7.7441 -7.7356 -7.7356 -7.7242 -7.7242 -6.8617 -6.8617 -6.1254 -6.1254 -3.6553 -3.6553 -3.6294 -3.6294 -0.5851 -0.5851 -0.4681 -0.4681 3.2557 3.2557 3.2646 3.2646 3.8326 3.8326 3.9278 3.9278 5.4616 5.4616 5.8848 5.8848 6.3911 6.3911 6.5507 6.5507 6.6202 6.6202 8.1061 8.1061 8.3854 8.3854 9.5849 9.5849 9.9411 9.9411 10.6485 10.6485 10.8766 10.8766 k = 0.3293 0.3885-0.0000 ( 5856 PWs) bands (ev): -10.3165 -10.3165 -10.3075 -10.3075 -10.2963 -10.2963 -10.2916 -10.2916 -7.7811 -7.7811 -7.7687 -7.7687 -7.7570 -7.7570 -7.7423 -7.7423 -7.7345 -7.7345 -7.7242 -7.7242 -6.8463 -6.8463 -6.1290 -6.1290 -3.6656 -3.6656 -3.6399 -3.6399 -0.6230 -0.6230 -0.4848 -0.4848 3.2380 3.2380 3.2633 3.2633 3.8565 3.8565 3.9483 3.9483 5.5106 5.5106 5.8720 5.8720 6.4921 6.4921 6.6628 6.6628 6.6721 6.6721 8.1114 8.1114 8.3632 8.3632 9.5651 9.5651 9.8723 9.8723 10.6249 10.6249 10.8704 10.8704 k = 0.3415 0.4029-0.0000 ( 5852 PWs) bands (ev): -10.3166 -10.3166 -10.3071 -10.3071 -10.2962 -10.2962 -10.2917 -10.2917 -7.7808 -7.7808 -7.7699 -7.7699 -7.7584 -7.7584 -7.7406 -7.7406 -7.7333 -7.7333 -7.7241 -7.7241 -6.8314 -6.8314 -6.1325 -6.1325 -3.6755 -3.6755 -3.6498 -3.6498 -0.6584 -0.6584 -0.5015 -0.5015 3.2147 3.2147 3.2708 3.2708 3.8813 3.8813 3.9692 3.9692 5.5580 5.5580 5.8573 5.8573 6.5568 6.5568 6.7173 6.7173 6.8000 6.8000 8.1164 8.1164 8.3546 8.3546 9.5555 9.5555 9.8053 9.8053 10.6027 10.6027 10.8655 10.8655 k = 0.3537 0.4173-0.0000 ( 5836 PWs) bands (ev): -10.3168 -10.3168 -10.3068 -10.3068 -10.2962 -10.2962 -10.2917 -10.2917 -7.7806 -7.7806 -7.7710 -7.7710 -7.7599 -7.7599 -7.7390 -7.7390 -7.7319 -7.7319 -7.7239 -7.7239 -6.8171 -6.8171 -6.1358 -6.1358 -3.6848 -3.6848 -3.6593 -3.6593 -0.6914 -0.6914 -0.5179 -0.5179 3.1944 3.1944 3.2780 3.2780 3.9067 3.9067 3.9903 3.9903 5.6035 5.6035 5.8412 5.8412 6.5984 6.5984 6.7556 6.7556 6.9482 6.9482 8.1211 8.1211 8.3599 8.3599 9.5561 9.5561 9.7403 9.7403 10.5811 10.5811 10.8621 10.8621 k = 0.3659 0.4317-0.0000 ( 5836 PWs) bands (ev): -10.3170 -10.3170 -10.3065 -10.3065 -10.2961 -10.2961 -10.2918 -10.2918 -7.7804 -7.7804 -7.7721 -7.7721 -7.7615 -7.7615 -7.7375 -7.7375 -7.7306 -7.7306 -7.7238 -7.7238 -6.8035 -6.8035 -6.1389 -6.1389 -3.6937 -3.6937 -3.6683 -3.6683 -0.7219 -0.7219 -0.5340 -0.5340 3.1770 3.1770 3.2849 3.2849 3.9324 3.9324 4.0114 4.0114 5.6466 5.6466 5.8243 5.8243 6.6242 6.6242 6.7871 6.7871 7.0991 7.0991 8.1254 8.1254 8.3787 8.3787 9.5667 9.5667 9.6775 9.6775 10.5598 10.5598 10.8602 10.8602 k = 0.3780 0.4461-0.0000 ( 5832 PWs) bands (ev): -10.3172 -10.3172 -10.3062 -10.3062 -10.2961 -10.2961 -10.2918 -10.2918 -7.7802 -7.7802 -7.7731 -7.7731 -7.7631 -7.7631 -7.7361 -7.7361 -7.7292 -7.7292 -7.7236 -7.7236 -6.7907 -6.7907 -6.1418 -6.1418 -3.7019 -3.7019 -3.6766 -3.6766 -0.7498 -0.7498 -0.5495 -0.5495 3.1623 3.1623 3.2914 3.2914 3.9579 3.9579 4.0321 4.0321 5.6872 5.6872 5.8070 5.8070 6.6380 6.6380 6.8121 6.8121 7.2495 7.2495 8.1294 8.1294 8.4097 8.4097 9.5865 9.5865 9.6166 9.6166 10.5382 10.5382 10.8600 10.8600 k = 0.3902 0.4605-0.0000 ( 5824 PWs) bands (ev): -10.3173 -10.3173 -10.3059 -10.3059 -10.2960 -10.2960 -10.2919 -10.2919 -7.7800 -7.7800 -7.7740 -7.7740 -7.7646 -7.7646 -7.7347 -7.7347 -7.7279 -7.7279 -7.7234 -7.7234 -6.7788 -6.7788 -6.1444 -6.1444 -3.7095 -3.7095 -3.6844 -3.6844 -0.7751 -0.7751 -0.5642 -0.5642 3.1501 3.1501 3.2976 3.2976 3.9828 3.9828 4.0521 4.0521 5.7249 5.7249 5.7897 5.7897 6.6420 6.6420 6.8309 6.8309 7.3973 7.3973 8.1330 8.1330 8.4512 8.4512 9.5575 9.5575 9.6145 9.6145 10.5162 10.5162 10.8618 10.8618 k = 0.4024 0.4749-0.0000 ( 5816 PWs) bands (ev): -10.3175 -10.3175 -10.3056 -10.3056 -10.2959 -10.2959 -10.2920 -10.2920 -7.7798 -7.7798 -7.7748 -7.7748 -7.7661 -7.7661 -7.7335 -7.7335 -7.7267 -7.7267 -7.7232 -7.7232 -6.7678 -6.7678 -6.1468 -6.1468 -3.7164 -3.7164 -3.6914 -3.6914 -0.7979 -0.7979 -0.5780 -0.5780 3.1400 3.1400 3.3032 3.3032 4.0067 4.0067 4.0712 4.0712 5.7595 5.7595 5.7728 5.7728 6.6387 6.6387 6.8445 6.8445 7.5410 7.5410 8.1362 8.1362 8.5008 8.5008 9.4997 9.4997 9.6490 9.6490 10.4934 10.4934 10.8657 10.8657 k = 0.4146 0.4893-0.0000 ( 5824 PWs) bands (ev): -10.3176 -10.3176 -10.3054 -10.3054 -10.2958 -10.2958 -10.2920 -10.2920 -7.7795 -7.7795 -7.7755 -7.7755 -7.7675 -7.7675 -7.7324 -7.7324 -7.7257 -7.7257 -7.7229 -7.7229 -6.7580 -6.7580 -6.1490 -6.1490 -3.7226 -3.7226 -3.6977 -3.6977 -0.8179 -0.8179 -0.5906 -0.5906 3.1318 3.1318 3.3083 3.3083 4.0291 4.0291 4.0889 4.0889 5.7568 5.7568 5.7906 5.7906 6.6302 6.6302 6.8535 6.8535 7.6789 7.6789 8.1389 8.1389 8.5562 8.5562 9.4426 9.4426 9.6884 9.6884 10.4699 10.4699 10.8719 10.8719 k = 0.4268 0.5037-0.0000 ( 5804 PWs) bands (ev): -10.3177 -10.3177 -10.3052 -10.3052 -10.2958 -10.2958 -10.2921 -10.2921 -7.7792 -7.7792 -7.7762 -7.7762 -7.7689 -7.7689 -7.7315 -7.7315 -7.7248 -7.7248 -7.7225 -7.7225 -6.7492 -6.7492 -6.1509 -6.1509 -3.7281 -3.7281 -3.7032 -3.7032 -0.8354 -0.8354 -0.6020 -0.6020 3.1254 3.1254 3.3129 3.3129 4.0497 4.0497 4.1051 4.1051 5.7421 5.7421 5.8182 5.8182 6.6186 6.6186 6.8589 6.8589 7.8094 7.8094 8.1413 8.1413 8.6148 8.6148 9.3855 9.3855 9.7302 9.7302 10.4459 10.4459 10.8805 10.8805 k = 0.4390 0.5181-0.0000 ( 5816 PWs) bands (ev): -10.3178 -10.3178 -10.3050 -10.3050 -10.2957 -10.2957 -10.2922 -10.2922 -7.7789 -7.7789 -7.7767 -7.7767 -7.7702 -7.7702 -7.7306 -7.7306 -7.7242 -7.7242 -7.7221 -7.7221 -6.7417 -6.7417 -6.1525 -6.1525 -3.7328 -3.7328 -3.7079 -3.7079 -0.8502 -0.8502 -0.6118 -0.6118 3.1204 3.1204 3.3168 3.3168 4.0680 4.0680 4.1194 4.1194 5.7289 5.7289 5.8418 5.8418 6.6056 6.6056 6.8616 6.8616 7.9300 7.9300 8.1433 8.1433 8.6749 8.6749 9.3278 9.3278 9.7721 9.7721 10.4222 10.4222 10.8643 10.8643 k = 0.4512 0.5324-0.0000 ( 5824 PWs) bands (ev): -10.3179 -10.3179 -10.3049 -10.3049 -10.2957 -10.2957 -10.2922 -10.2922 -7.7784 -7.7784 -7.7772 -7.7772 -7.7715 -7.7715 -7.7300 -7.7300 -7.7239 -7.7239 -7.7216 -7.7216 -6.7355 -6.7355 -6.1538 -6.1538 -3.7366 -3.7366 -3.7119 -3.7119 -0.8623 -0.8623 -0.6201 -0.6201 3.1166 3.1166 3.3201 3.3201 4.0836 4.0836 4.1314 4.1314 5.7177 5.7177 5.8615 5.8615 6.5930 6.5930 6.8625 6.8625 8.0377 8.0377 8.1449 8.1449 8.7346 8.7346 9.2693 9.2693 9.8114 9.8114 10.3998 10.3998 10.8179 10.8179 k = 0.4634 0.5468-0.0000 ( 5824 PWs) bands (ev): -10.3180 -10.3180 -10.3048 -10.3048 -10.2956 -10.2956 -10.2923 -10.2923 -7.7779 -7.7779 -7.7775 -7.7775 -7.7726 -7.7726 -7.7294 -7.7294 -7.7236 -7.7236 -7.7211 -7.7211 -6.7306 -6.7306 -6.1549 -6.1549 -3.7396 -3.7396 -3.7149 -3.7149 -0.8717 -0.8717 -0.6267 -0.6267 3.1139 3.1139 3.3227 3.3227 4.0962 4.0962 4.1411 4.1411 5.7087 5.7087 5.8769 5.8769 6.5818 6.5818 6.8623 6.8623 8.1288 8.1288 8.1461 8.1461 8.7928 8.7928 9.2102 9.2102 9.8453 9.8453 10.3802 10.3802 10.7809 10.7809 k = 0.4756 0.5612-0.0000 ( 5808 PWs) bands (ev): -10.3180 -10.3180 -10.3047 -10.3047 -10.2956 -10.2956 -10.2923 -10.2923 -7.7778 -7.7778 -7.7773 -7.7773 -7.7736 -7.7736 -7.7290 -7.7290 -7.7235 -7.7235 -7.7207 -7.7207 -6.7271 -6.7271 -6.1556 -6.1556 -3.7418 -3.7418 -3.7171 -3.7171 -0.8784 -0.8784 -0.6314 -0.6314 3.1121 3.1121 3.3246 3.3246 4.1054 4.1054 4.1481 4.1481 5.7021 5.7021 5.8880 5.8880 6.5731 6.5731 6.8617 6.8617 8.1470 8.1470 8.1988 8.1988 8.8481 8.8481 9.1526 9.1526 9.8717 9.8717 10.3648 10.3648 10.7541 10.7541 k = 0.4878 0.5756-0.0000 ( 5812 PWs) bands (ev): -10.3181 -10.3181 -10.3047 -10.3047 -10.2956 -10.2956 -10.2923 -10.2923 -7.7779 -7.7779 -7.7767 -7.7767 -7.7745 -7.7745 -7.7288 -7.7288 -7.7234 -7.7234 -7.7205 -7.7205 -6.7249 -6.7249 -6.1560 -6.1560 -3.7431 -3.7431 -3.7184 -3.7184 -0.8825 -0.8825 -0.6343 -0.6343 3.1110 3.1110 3.3257 3.3257 4.1110 4.1110 4.1524 4.1524 5.6980 5.6980 5.8947 5.8947 6.5677 6.5677 6.8612 6.8612 8.1475 8.1475 8.2431 8.2431 8.8956 8.8956 9.1026 9.1026 9.8883 9.8883 10.3550 10.3550 10.7378 10.7378 k = 0.5000 0.5900-0.0000 ( 5804 PWs) bands (ev): -10.3181 -10.3181 -10.3046 -10.3046 -10.2956 -10.2956 -10.2923 -10.2923 -7.7780 -7.7780 -7.7764 -7.7764 -7.7750 -7.7750 -7.7287 -7.7287 -7.7234 -7.7234 -7.7204 -7.7204 -6.7242 -6.7242 -6.1562 -6.1562 -3.7435 -3.7435 -3.7189 -3.7189 -0.8838 -0.8838 -0.6353 -0.6353 3.1107 3.1107 3.3261 3.3261 4.1129 4.1129 4.1539 4.1539 5.6967 5.6967 5.8969 5.8969 6.5658 6.5658 6.8609 6.8609 8.1477 8.1477 8.2584 8.2584 8.9179 8.9179 9.0792 9.0792 9.8940 9.8940 10.3516 10.3516 10.7324 10.7324 k = 0.5000 0.5900-0.0000 ( 5804 PWs) bands (ev): -10.3181 -10.3181 -10.3046 -10.3046 -10.2956 -10.2956 -10.2923 -10.2923 -7.7780 -7.7780 -7.7764 -7.7764 -7.7750 -7.7750 -7.7287 -7.7287 -7.7234 -7.7234 -7.7204 -7.7204 -6.7242 -6.7242 -6.1562 -6.1562 -3.7435 -3.7435 -3.7189 -3.7189 -0.8838 -0.8838 -0.6353 -0.6353 3.1107 3.1107 3.3261 3.3261 4.1129 4.1129 4.1539 4.1539 5.6967 5.6967 5.8969 5.8969 6.5658 6.5658 6.8609 6.8609 8.1477 8.1477 8.2584 8.2584 8.9179 8.9179 9.0792 9.0792 9.8940 9.8940 10.3516 10.3516 10.7324 10.7324 k = 0.4905 0.5981 0.0124 ( 5816 PWs) bands (ev): -10.3181 -10.3181 -10.3047 -10.3047 -10.2956 -10.2956 -10.2923 -10.2923 -7.7780 -7.7780 -7.7767 -7.7767 -7.7747 -7.7747 -7.7288 -7.7288 -7.7234 -7.7234 -7.7204 -7.7204 -6.7235 -6.7235 -6.1572 -6.1572 -3.7437 -3.7437 -3.7191 -3.7191 -0.8816 -0.8816 -0.6343 -0.6343 3.1041 3.1041 3.3206 3.3206 4.1213 4.1213 4.1621 4.1621 5.6875 5.6875 5.8959 5.8959 6.5703 6.5703 6.8634 6.8634 8.1442 8.1442 8.2501 8.2501 8.9022 8.9022 9.0930 9.0930 9.8941 9.8941 10.3496 10.3496 10.7347 10.7347 k = 0.4810 0.6061 0.0249 ( 5824 PWs) bands (ev): -10.3181 -10.3181 -10.3047 -10.3047 -10.2956 -10.2956 -10.2923 -10.2923 -7.7780 -7.7780 -7.7774 -7.7774 -7.7741 -7.7741 -7.7289 -7.7289 -7.7234 -7.7234 -7.7205 -7.7205 -6.7211 -6.7211 -6.1602 -6.1602 -3.7441 -3.7441 -3.7195 -3.7195 -0.8750 -0.8750 -0.6316 -0.6316 3.0850 3.0850 3.3050 3.3050 4.1458 4.1458 4.1862 4.1862 5.6609 5.6609 5.8928 5.8928 6.5819 6.5819 6.8715 6.8715 8.1331 8.1331 8.2260 8.2260 8.8652 8.8652 9.1245 9.1245 9.8943 9.8943 10.3436 10.3436 10.7413 10.7413 k = 0.4715 0.6141 0.0373 ( 5832 PWs) bands (ev): -10.3181 -10.3181 -10.3048 -10.3048 -10.2956 -10.2956 -10.2923 -10.2923 -7.7783 -7.7783 -7.7780 -7.7780 -7.7735 -7.7735 -7.7291 -7.7291 -7.7234 -7.7234 -7.7205 -7.7205 -6.7172 -6.7172 -6.1652 -6.1652 -3.7450 -3.7450 -3.7201 -3.7201 -0.8642 -0.8642 -0.6270 -0.6270 3.0552 3.0552 3.2813 3.2813 4.1845 4.1845 4.2243 4.2243 5.6196 5.6196 5.8878 5.8878 6.5955 6.5955 6.8876 6.8876 8.1132 8.1132 8.1881 8.1881 8.8190 8.8190 9.1618 9.1618 9.8946 9.8946 10.3342 10.3342 10.7520 10.7520 k = 0.4620 0.6222 0.0498 ( 5832 PWs) bands (ev): -10.3181 -10.3181 -10.3049 -10.3049 -10.2956 -10.2956 -10.2923 -10.2923 -7.7793 -7.7793 -7.7780 -7.7780 -7.7729 -7.7729 -7.7295 -7.7295 -7.7234 -7.7234 -7.7206 -7.7206 -6.7118 -6.7118 -6.1721 -6.1721 -3.7465 -3.7465 -3.7206 -3.7206 -0.8494 -0.8494 -0.6205 -0.6205 3.0170 3.0170 3.2519 3.2519 4.2347 4.2347 4.2741 4.2741 5.5670 5.5670 5.8808 5.8808 6.6054 6.6054 6.9141 6.9141 8.0812 8.0812 8.1405 8.1405 8.7696 8.7696 9.1997 9.1997 9.8950 9.8950 10.3220 10.3220 10.7662 10.7662 k = 0.4525 0.6302 0.0622 ( 5828 PWs) bands (ev): -10.3181 -10.3181 -10.3050 -10.3050 -10.2956 -10.2956 -10.2922 -10.2922 -7.7805 -7.7805 -7.7781 -7.7781 -7.7722 -7.7722 -7.7298 -7.7298 -7.7235 -7.7235 -7.7207 -7.7207 -6.7049 -6.7049 -6.1810 -6.1810 -3.7487 -3.7487 -3.7207 -3.7207 -0.8307 -0.8307 -0.6123 -0.6123 2.9726 2.9726 3.2193 3.2193 4.2938 4.2938 4.3333 4.3333 5.5060 5.5060 5.8718 5.8718 6.6074 6.6074 6.9518 6.9518 8.0318 8.0318 8.0893 8.0893 8.7206 8.7206 9.2359 9.2359 9.8955 9.8955 10.3080 10.3080 10.7832 10.7832 k = 0.4430 0.6383 0.0747 ( 5828 PWs) bands (ev): -10.3181 -10.3181 -10.3052 -10.3052 -10.2956 -10.2956 -10.2922 -10.2922 -7.7818 -7.7818 -7.7781 -7.7781 -7.7715 -7.7715 -7.7303 -7.7303 -7.7235 -7.7235 -7.7208 -7.7208 -6.6965 -6.6965 -6.1918 -6.1918 -3.7515 -3.7515 -3.7204 -3.7204 -0.8085 -0.8085 -0.6022 -0.6022 2.9241 2.9241 3.1855 3.1855 4.3598 4.3598 4.3999 4.3999 5.4392 5.4392 5.8610 5.8610 6.6003 6.6003 6.9992 6.9992 7.9641 7.9641 8.0364 8.0364 8.6743 8.6743 9.2691 9.2691 9.8960 9.8960 10.2933 10.2933 10.8025 10.8025 k = 0.4335 0.6463 0.0871 ( 5840 PWs) bands (ev): -10.3181 -10.3181 -10.3054 -10.3054 -10.2956 -10.2956 -10.2921 -10.2921 -7.7833 -7.7833 -7.7781 -7.7781 -7.7707 -7.7707 -7.7308 -7.7308 -7.7235 -7.7235 -7.7209 -7.7209 -6.6868 -6.6868 -6.2044 -6.2044 -3.7549 -3.7549 -3.7195 -3.7195 -0.7833 -0.7833 -0.5903 -0.5903 2.8731 2.8731 3.1521 3.1521 4.4305 4.4305 4.4723 4.4723 5.3686 5.3686 5.8483 5.8483 6.5852 6.5852 7.0529 7.0529 7.8832 7.8832 7.9778 7.9778 8.6327 8.6327 9.2987 9.2987 9.8965 9.8965 10.2789 10.2789 10.8236 10.8236 k = 0.4241 0.6544 0.0996 ( 5838 PWs) bands (ev): -10.3181 -10.3181 -10.3056 -10.3056 -10.2956 -10.2956 -10.2921 -10.2921 -7.7849 -7.7849 -7.7782 -7.7782 -7.7698 -7.7698 -7.7313 -7.7313 -7.7235 -7.7235 -7.7211 -7.7211 -6.6757 -6.6757 -6.2189 -6.2189 -3.7587 -3.7587 -3.7180 -3.7180 -0.7554 -0.7554 -0.5767 -0.5767 2.8209 2.8209 3.1206 3.1206 4.5042 4.5042 4.5492 4.5492 5.2956 5.2956 5.8338 5.8338 6.5633 6.5633 7.1096 7.1096 7.7937 7.7937 7.9111 7.9111 8.5970 8.5970 9.3243 9.3243 9.8971 9.8971 10.2657 10.2657 10.8461 10.8461 k = 0.4241 0.6544 0.0996 ( 5838 PWs) bands (ev): -10.3181 -10.3181 -10.3056 -10.3056 -10.2956 -10.2956 -10.2921 -10.2921 -7.7849 -7.7849 -7.7782 -7.7782 -7.7698 -7.7698 -7.7313 -7.7313 -7.7235 -7.7235 -7.7211 -7.7211 -6.6757 -6.6757 -6.2189 -6.2189 -3.7587 -3.7587 -3.7180 -3.7180 -0.7554 -0.7554 -0.5767 -0.5767 2.8209 2.8209 3.1206 3.1206 4.5042 4.5042 4.5492 4.5492 5.2956 5.2956 5.8338 5.8338 6.5633 6.5633 7.1096 7.1096 7.7937 7.7937 7.9111 7.9111 8.5970 8.5970 9.3243 9.3243 9.8971 9.8971 10.2657 10.2657 10.8461 10.8461 k = 0.4083 0.6489 0.1080 ( 5826 PWs) bands (ev): -10.3181 -10.3181 -10.3058 -10.3058 -10.2956 -10.2956 -10.2920 -10.2920 -7.7861 -7.7861 -7.7782 -7.7782 -7.7692 -7.7692 -7.7316 -7.7316 -7.7236 -7.7236 -7.7212 -7.7212 -6.6679 -6.6679 -6.2296 -6.2296 -3.7612 -3.7612 -3.7166 -3.7166 -0.7345 -0.7345 -0.5660 -0.5660 2.7857 2.7857 3.1003 3.1003 4.5543 4.5543 4.6028 4.6028 5.2466 5.2466 5.8216 5.8216 6.5452 6.5452 7.1464 7.1464 7.7261 7.7261 7.8603 7.8603 8.5781 8.5781 9.3363 9.3363 9.8976 9.8976 10.2593 10.2593 10.8627 10.8627 k = 0.3926 0.6434 0.1165 ( 5831 PWs) bands (ev): -10.3180 -10.3180 -10.3060 -10.3060 -10.2956 -10.2956 -10.2920 -10.2920 -7.7872 -7.7872 -7.7782 -7.7782 -7.7685 -7.7685 -7.7321 -7.7321 -7.7237 -7.7237 -7.7214 -7.7214 -6.6603 -6.6603 -6.2408 -6.2408 -3.7631 -3.7631 -3.7145 -3.7145 -0.7115 -0.7115 -0.5535 -0.5535 2.7513 2.7513 3.0811 3.0811 4.6024 4.6024 4.6562 4.6562 5.2000 5.2000 5.8060 5.8060 6.5241 6.5241 7.1772 7.1772 7.6519 7.6519 7.8059 7.8059 8.5661 8.5661 9.3400 9.3400 9.8976 9.8976 10.2575 10.2575 10.8807 10.8807 k = 0.3769 0.6380 0.1249 ( 5834 PWs) bands (ev): -10.3180 -10.3180 -10.3062 -10.3062 -10.2956 -10.2956 -10.2919 -10.2919 -7.7884 -7.7884 -7.7781 -7.7781 -7.7676 -7.7676 -7.7327 -7.7327 -7.7240 -7.7240 -7.7216 -7.7216 -6.6529 -6.6529 -6.2524 -6.2524 -3.7646 -3.7646 -3.7119 -3.7119 -0.6866 -0.6866 -0.5396 -0.5396 2.7181 2.7181 3.0630 3.0630 4.6481 4.6481 4.7091 4.7091 5.1566 5.1566 5.7869 5.7869 6.4994 6.4994 7.1974 7.1974 7.5751 7.5751 7.7517 7.7517 8.5610 8.5610 9.3360 9.3360 9.8960 9.8960 10.2609 10.2609 10.8994 10.8994 k = 0.3612 0.6325 0.1333 ( 5831 PWs) bands (ev): -10.3180 -10.3180 -10.3064 -10.3064 -10.2956 -10.2956 -10.2919 -10.2919 -7.7895 -7.7895 -7.7780 -7.7780 -7.7668 -7.7668 -7.7333 -7.7333 -7.7243 -7.7243 -7.7218 -7.7218 -6.6458 -6.6458 -6.2644 -6.2644 -3.7655 -3.7655 -3.7088 -3.7088 -0.6601 -0.6601 -0.5242 -0.5242 2.6867 2.6867 3.0464 3.0464 4.6904 4.6904 4.7613 4.7613 5.1171 5.1171 5.7639 5.7639 6.4704 6.4704 7.2012 7.2012 7.5009 7.5009 7.7019 7.7019 8.5622 8.5622 9.3251 9.3251 9.8927 9.8927 10.2695 10.2695 10.9182 10.9182 k = 0.3455 0.6271 0.1418 ( 5829 PWs) bands (ev): -10.3179 -10.3179 -10.3067 -10.3067 -10.2956 -10.2956 -10.2919 -10.2919 -7.7905 -7.7905 -7.7778 -7.7778 -7.7659 -7.7659 -7.7340 -7.7340 -7.7248 -7.7248 -7.7220 -7.7220 -6.6390 -6.6390 -6.2768 -6.2768 -3.7658 -3.7658 -3.7054 -3.7054 -0.6324 -0.6324 -0.5075 -0.5075 2.6574 2.6574 3.0315 3.0315 4.7282 4.7282 4.8124 4.8124 5.0826 5.0826 5.7368 5.7368 6.4365 6.4365 7.1825 7.1825 7.4339 7.4339 7.6609 7.6609 8.5690 8.5690 9.3086 9.3086 9.8883 9.8883 10.2825 10.2825 10.9368 10.9368 k = 0.3298 0.6216 0.1502 ( 5828 PWs) bands (ev): -10.3178 -10.3178 -10.3069 -10.3069 -10.2956 -10.2956 -10.2918 -10.2918 -7.7915 -7.7915 -7.7776 -7.7776 -7.7650 -7.7650 -7.7347 -7.7347 -7.7255 -7.7255 -7.7221 -7.7221 -6.6325 -6.6325 -6.2894 -6.2894 -3.7655 -3.7655 -3.7016 -3.7016 -0.6036 -0.6036 -0.4897 -0.4897 2.6306 2.6306 3.0184 3.0184 4.7593 4.7593 4.8624 4.8624 5.0551 5.0551 5.7050 5.7050 6.3976 6.3976 7.1396 7.1396 7.3758 7.3758 7.6319 7.6319 8.5804 8.5804 9.2873 9.2873 9.8840 9.8840 10.2987 10.2987 10.9548 10.9548 k = 0.3141 0.6161 0.1587 ( 5829 PWs) bands (ev): -10.3178 -10.3178 -10.3072 -10.3072 -10.2956 -10.2956 -10.2918 -10.2918 -7.7923 -7.7923 -7.7774 -7.7774 -7.7641 -7.7641 -7.7355 -7.7355 -7.7263 -7.7263 -7.7223 -7.7223 -6.6262 -6.6262 -6.3022 -6.3022 -3.7647 -3.7647 -3.6976 -3.6976 -0.5742 -0.5742 -0.4711 -0.4711 2.6068 2.6068 3.0074 3.0074 4.7807 4.7807 4.9108 4.9108 5.0372 5.0372 5.6679 5.6679 6.3540 6.3540 7.0780 7.0780 7.3241 7.3241 7.6142 7.6142 8.5951 8.5951 9.2623 9.2623 9.8814 9.8814 10.3171 10.3171 10.9720 10.9720 k = 0.2984 0.6107 0.1671 ( 5829 PWs) bands (ev): -10.3177 -10.3177 -10.3075 -10.3075 -10.2956 -10.2956 -10.2918 -10.2918 -7.7931 -7.7931 -7.7772 -7.7772 -7.7632 -7.7632 -7.7363 -7.7363 -7.7272 -7.7272 -7.7224 -7.7224 -6.6201 -6.6201 -6.3151 -6.3151 -3.7632 -3.7632 -3.6934 -3.6934 -0.5444 -0.5444 -0.4517 -0.4517 2.5863 2.5863 2.9987 2.9987 4.7893 4.7893 4.9575 4.9575 5.0315 5.0315 5.6246 5.6246 6.3070 6.3070 7.0057 7.0057 7.2769 7.2769 7.6041 7.6041 8.6117 8.6117 9.2345 9.2345 9.8820 9.8820 10.3367 10.3367 10.9886 10.9886 k = 0.2827 0.6052 0.1756 ( 5829 PWs) bands (ev): -10.3176 -10.3176 -10.3078 -10.3078 -10.2955 -10.2955 -10.2918 -10.2918 -7.7938 -7.7938 -7.7769 -7.7769 -7.7623 -7.7623 -7.7371 -7.7371 -7.7281 -7.7281 -7.7225 -7.7225 -6.6143 -6.6143 -6.3281 -6.3281 -3.7610 -3.7610 -3.6892 -3.6892 -0.5146 -0.5146 -0.4319 -0.4319 2.5696 2.5696 2.9925 2.9925 4.7845 4.7845 5.0020 5.0020 5.0383 5.0383 5.5748 5.5748 6.2583 6.2583 6.9279 6.9279 7.2342 7.2342 7.5972 7.5972 8.6285 8.6285 9.2044 9.2044 9.8869 9.8869 10.3570 10.3570 11.0047 11.0047 k = 0.2670 0.5997 0.1840 ( 5831 PWs) bands (ev): -10.3174 -10.3174 -10.3082 -10.3082 -10.2955 -10.2955 -10.2918 -10.2918 -7.7943 -7.7943 -7.7766 -7.7766 -7.7616 -7.7616 -7.7379 -7.7379 -7.7292 -7.7292 -7.7226 -7.7226 -6.6086 -6.6086 -6.3410 -6.3410 -3.7584 -3.7584 -3.6849 -3.6849 -0.4850 -0.4850 -0.4119 -0.4119 2.5570 2.5570 2.9889 2.9889 4.7689 4.7689 5.0412 5.0412 5.0565 5.0565 5.5186 5.5186 6.2100 6.2100 6.8477 6.8477 7.1970 7.1970 7.5905 7.5905 8.6442 8.6442 9.1727 9.1727 9.8969 9.8969 10.3773 10.3773 11.0207 11.0207 k = 0.2513 0.5943 0.1925 ( 5835 PWs) bands (ev): -10.3173 -10.3173 -10.3085 -10.3085 -10.2955 -10.2955 -10.2918 -10.2918 -7.7947 -7.7947 -7.7763 -7.7763 -7.7610 -7.7610 -7.7388 -7.7388 -7.7302 -7.7302 -7.7227 -7.7227 -6.6032 -6.6032 -6.3539 -6.3539 -3.7551 -3.7551 -3.6807 -3.6807 -0.4560 -0.4560 -0.3918 -0.3918 2.5489 2.5489 2.9880 2.9880 4.7461 4.7461 5.0645 5.0645 5.0903 5.0903 5.4580 5.4580 6.1642 6.1642 6.7666 6.7666 7.1660 7.1660 7.5825 7.5825 8.6573 8.6573 9.1399 9.1399 9.9122 9.9122 10.3973 10.3973 11.0372 11.0372 k = 0.2356 0.5888 0.2009 ( 5839 PWs) bands (ev): -10.3172 -10.3172 -10.3088 -10.3088 -10.2954 -10.2954 -10.2918 -10.2918 -7.7950 -7.7950 -7.7759 -7.7759 -7.7604 -7.7604 -7.7397 -7.7397 -7.7312 -7.7312 -7.7229 -7.7229 -6.5980 -6.5980 -6.3666 -6.3666 -3.7513 -3.7513 -3.6767 -3.6767 -0.4277 -0.4277 -0.3720 -0.3720 2.5455 2.5455 2.9898 2.9898 4.7189 4.7189 5.0761 5.0761 5.1279 5.1279 5.3979 5.3979 6.1223 6.1223 6.6859 6.6859 7.1411 7.1411 7.5723 7.5723 8.6671 8.6671 9.1064 9.1064 9.9325 9.9325 10.4165 10.4165 11.0545 11.0545 k = 0.2199 0.5833 0.2094 ( 5835 PWs) bands (ev): -10.3170 -10.3170 -10.3092 -10.3092 -10.2953 -10.2953 -10.2919 -10.2919 -7.7951 -7.7951 -7.7756 -7.7756 -7.7601 -7.7601 -7.7406 -7.7406 -7.7321 -7.7321 -7.7230 -7.7230 -6.5928 -6.5928 -6.3792 -6.3792 -3.7471 -3.7471 -3.6729 -3.6729 -0.4006 -0.4006 -0.3526 -0.3526 2.5472 2.5472 2.9944 2.9944 4.6888 4.6888 5.0703 5.0703 5.1637 5.1637 5.3487 5.3487 6.0848 6.0848 6.6066 6.6066 7.1220 7.1220 7.5595 7.5595 8.6734 8.6734 9.0724 9.0724 9.9571 9.9571 10.4343 10.4343 11.0731 11.0731 k = 0.2042 0.5779 0.2178 ( 5832 PWs) bands (ev): -10.3169 -10.3169 -10.3095 -10.3095 -10.2953 -10.2953 -10.2919 -10.2919 -7.7951 -7.7951 -7.7752 -7.7752 -7.7600 -7.7600 -7.7415 -7.7415 -7.7329 -7.7329 -7.7232 -7.7232 -6.5878 -6.5878 -6.3915 -6.3915 -3.7424 -3.7424 -3.6694 -3.6694 -0.3748 -0.3748 -0.3339 -0.3339 2.5542 2.5542 3.0016 3.0016 4.6563 4.6563 5.0355 5.0355 5.1974 5.1974 5.3232 5.3232 6.0519 6.0519 6.5295 6.5295 7.1080 7.1080 7.5444 7.5444 8.6761 8.6761 9.0384 9.0384 9.9848 9.9848 10.4501 10.4501 11.0929 11.0929 k = 0.1885 0.5724 0.2263 ( 5834 PWs) bands (ev): -10.3167 -10.3167 -10.3099 -10.3099 -10.2952 -10.2952 -10.2920 -10.2920 -7.7949 -7.7949 -7.7748 -7.7748 -7.7600 -7.7600 -7.7426 -7.7426 -7.7335 -7.7335 -7.7234 -7.7234 -6.5829 -6.5829 -6.4035 -6.4035 -3.7373 -3.7373 -3.6662 -3.6662 -0.3504 -0.3504 -0.3160 -0.3160 2.5665 2.5665 3.0113 3.0113 4.6219 4.6219 4.9714 4.9714 5.2290 5.2290 5.3224 5.3224 6.0231 6.0231 6.4555 6.4555 7.0987 7.0987 7.5270 7.5270 8.6759 8.6759 9.0044 9.0044 10.0146 10.0146 10.4632 10.4632 11.1137 11.1137 k = 0.1728 0.5670 0.2347 ( 5846 PWs) bands (ev): -10.3165 -10.3165 -10.3102 -10.3102 -10.2951 -10.2951 -10.2921 -10.2921 -7.7945 -7.7945 -7.7745 -7.7745 -7.7602 -7.7602 -7.7438 -7.7438 -7.7338 -7.7338 -7.7236 -7.7236 -6.5780 -6.5780 -6.4151 -6.4151 -3.7319 -3.7319 -3.6635 -3.6635 -0.3278 -0.3278 -0.2991 -0.2991 2.5842 2.5842 3.0230 3.0230 4.5857 4.5857 4.8894 4.8894 5.2589 5.2589 5.3365 5.3365 5.9980 5.9980 6.3852 6.3852 7.0936 7.0936 7.5075 7.5075 8.6734 8.6734 8.9707 8.9707 10.0454 10.0454 10.4730 10.4730 11.1349 11.1349 k = 0.1571 0.5615 0.2432 ( 5844 PWs) bands (ev): -10.3163 -10.3163 -10.3106 -10.3106 -10.2950 -10.2950 -10.2922 -10.2922 -7.7940 -7.7940 -7.7742 -7.7742 -7.7606 -7.7606 -7.7451 -7.7451 -7.7339 -7.7339 -7.7239 -7.7239 -6.5731 -6.5731 -6.4265 -6.4265 -3.7263 -3.7263 -3.6613 -3.6613 -0.3070 -0.3070 -0.2834 -0.2834 2.6073 2.6073 3.0363 3.0363 4.5479 4.5479 4.7991 4.7991 5.2874 5.2874 5.3570 5.3570 5.9761 5.9761 6.3191 6.3191 7.0924 7.0924 7.4863 7.4863 8.6695 8.6695 8.9376 8.9376 10.0765 10.0765 10.4789 10.4789 11.1561 11.1561 k = 0.1414 0.5560 0.2516 ( 5850 PWs) bands (ev): -10.3161 -10.3161 -10.3109 -10.3109 -10.2949 -10.2949 -10.2923 -10.2923 -7.7934 -7.7934 -7.7740 -7.7740 -7.7610 -7.7610 -7.7465 -7.7465 -7.7338 -7.7338 -7.7242 -7.7242 -6.5682 -6.5682 -6.4374 -6.4374 -3.7205 -3.7205 -3.6596 -3.6596 -0.2881 -0.2881 -0.2690 -0.2690 2.6355 2.6355 3.0505 3.0505 4.5086 4.5086 4.7067 4.7067 5.3145 5.3145 5.3795 5.3795 5.9570 5.9570 6.2576 6.2576 7.0947 7.0947 7.4636 7.4636 8.6648 8.6648 8.9052 8.9052 10.1072 10.1072 10.4807 10.4807 11.1768 11.1768 k = 0.1256 0.5506 0.2601 ( 5852 PWs) bands (ev): -10.3159 -10.3159 -10.3113 -10.3113 -10.2947 -10.2947 -10.2924 -10.2924 -7.7926 -7.7926 -7.7739 -7.7739 -7.7615 -7.7615 -7.7479 -7.7479 -7.7335 -7.7335 -7.7245 -7.7245 -6.5632 -6.5632 -6.4479 -6.4479 -3.7146 -3.7146 -3.6585 -3.6585 -0.2712 -0.2712 -0.2559 -0.2559 2.6686 2.6686 3.0646 3.0646 4.4683 4.4683 4.6157 4.6157 5.3402 5.3402 5.4019 5.4019 5.9404 5.9404 6.2010 6.2010 7.1003 7.1003 7.4397 7.4397 8.6603 8.6603 8.8739 8.8739 10.1372 10.1372 10.4784 10.4784 11.1968 11.1968 k = 0.1099 0.5451 0.2685 ( 5858 PWs) bands (ev): -10.3157 -10.3157 -10.3116 -10.3116 -10.2946 -10.2946 -10.2925 -10.2925 -7.7916 -7.7916 -7.7741 -7.7741 -7.7618 -7.7618 -7.7494 -7.7494 -7.7330 -7.7330 -7.7249 -7.7249 -6.5581 -6.5581 -6.4581 -6.4581 -3.7086 -3.7086 -3.6580 -3.6580 -0.2563 -0.2563 -0.2443 -0.2443 2.7061 2.7061 3.0775 3.0775 4.4274 4.4274 4.5292 4.5292 5.3645 5.3645 5.4229 5.4229 5.9264 5.9264 6.1493 6.1493 7.1090 7.1090 7.4148 7.4148 8.6566 8.6566 8.8438 8.8438 10.1665 10.1665 10.4722 10.4722 11.2162 11.2162 k = 0.0942 0.5396 0.2770 ( 5848 PWs) bands (ev): -10.3154 -10.3154 -10.3119 -10.3119 -10.2945 -10.2945 -10.2926 -10.2926 -7.7905 -7.7905 -7.7745 -7.7745 -7.7620 -7.7620 -7.7508 -7.7508 -7.7325 -7.7325 -7.7253 -7.7253 -6.5529 -6.5529 -6.4677 -6.4677 -3.7027 -3.7027 -3.6581 -3.6581 -0.2435 -0.2435 -0.2342 -0.2342 2.7475 2.7475 3.0878 3.0878 4.3868 4.3868 4.4496 4.4496 5.3873 5.3873 5.4418 5.4418 5.9151 5.9151 6.1027 6.1027 7.1204 7.1204 7.3893 7.3893 8.6542 8.6542 8.8152 8.8152 10.1950 10.1950 10.4624 10.4624 11.2351 11.2351 k = 0.0785 0.5342 0.2854 ( 5848 PWs) bands (ev): -10.3152 -10.3152 -10.3123 -10.3123 -10.2943 -10.2943 -10.2928 -10.2928 -7.7893 -7.7893 -7.7752 -7.7752 -7.7620 -7.7620 -7.7523 -7.7523 -7.7319 -7.7319 -7.7258 -7.7258 -6.5475 -6.5475 -6.4770 -6.4770 -3.6968 -3.6968 -3.6589 -3.6589 -0.2327 -0.2327 -0.2256 -0.2256 2.7918 2.7918 3.0938 3.0938 4.3472 4.3472 4.3794 4.3794 5.4084 5.4084 5.4577 5.4577 5.9067 5.9067 6.0610 6.0610 7.1345 7.1345 7.3633 7.3633 8.6537 8.6537 8.7884 8.7884 10.2227 10.2227 10.4494 10.4494 11.2536 11.2536 k = 0.0628 0.5287 0.2939 ( 5852 PWs) bands (ev): -10.3149 -10.3149 -10.3126 -10.3126 -10.2942 -10.2942 -10.2929 -10.2929 -7.7879 -7.7879 -7.7762 -7.7762 -7.7617 -7.7617 -7.7537 -7.7537 -7.7312 -7.7312 -7.7263 -7.7263 -6.5419 -6.5419 -6.4858 -6.4858 -3.6912 -3.6912 -3.6603 -3.6603 -0.2238 -0.2238 -0.2186 -0.2186 2.8382 2.8382 3.0938 3.0938 4.3097 4.3097 4.3211 4.3211 5.4276 5.4276 5.4702 5.4702 5.9017 5.9017 6.0242 6.0242 7.1509 7.1509 7.3371 7.3371 8.6553 8.6553 8.7636 8.7636 10.2497 10.2497 10.4336 10.4336 11.2718 11.2718 k = 0.0471 0.5233 0.3023 ( 5857 PWs) bands (ev): -10.3147 -10.3147 -10.3129 -10.3129 -10.2940 -10.2940 -10.2931 -10.2931 -7.7865 -7.7865 -7.7774 -7.7774 -7.7612 -7.7612 -7.7550 -7.7550 -7.7305 -7.7305 -7.7268 -7.7268 -6.5361 -6.5361 -6.4941 -6.4941 -3.6858 -3.6858 -3.6623 -3.6623 -0.2169 -0.2169 -0.2133 -0.2133 2.8852 2.8852 3.0863 3.0863 4.2730 4.2730 4.2793 4.2793 5.4446 5.4446 5.4787 5.4787 5.9007 5.9007 5.9923 5.9923 7.1694 7.1694 7.3109 7.3109 8.6594 8.6594 8.7409 8.7409 10.2760 10.2760 10.4154 10.4154 11.2900 11.2900 k = 0.0314 0.5178 0.3108 ( 5853 PWs) bands (ev): -10.3144 -10.3144 -10.3132 -10.3132 -10.2939 -10.2939 -10.2932 -10.2932 -7.7850 -7.7850 -7.7788 -7.7788 -7.7605 -7.7605 -7.7563 -7.7563 -7.7299 -7.7299 -7.7273 -7.7273 -6.5300 -6.5300 -6.5021 -6.5021 -3.6807 -3.6807 -3.6649 -3.6649 -0.2119 -0.2119 -0.2096 -0.2096 2.9313 2.9313 3.0704 3.0704 4.2425 4.2425 4.2513 4.2513 5.4591 5.4591 5.4830 5.4830 5.9040 5.9040 5.9650 5.9650 7.1899 7.1899 7.2850 7.2850 8.6662 8.6662 8.7207 8.7207 10.3017 10.3017 10.3953 10.3953 11.3083 11.3083 k = 0.0157 0.5123 0.3192 ( 5856 PWs) bands (ev): -10.3141 -10.3141 -10.3135 -10.3135 -10.2937 -10.2937 -10.2934 -10.2934 -7.7834 -7.7834 -7.7803 -7.7803 -7.7596 -7.7596 -7.7575 -7.7575 -7.7292 -7.7292 -7.7279 -7.7279 -6.5235 -6.5235 -6.5096 -6.5096 -3.6761 -3.6761 -3.6681 -3.6681 -0.2087 -0.2087 -0.2076 -0.2076 2.9747 2.9747 3.0459 3.0459 4.2259 4.2259 4.2320 4.2320 5.4706 5.4706 5.4830 5.4830 5.9120 5.9120 5.9425 5.9425 7.2119 7.2119 7.2597 7.2597 8.6757 8.6757 8.7030 8.7030 10.3266 10.3266 10.3736 10.3736 11.3266 11.3266 k = 0.0000 0.5069 0.3277 ( 5854 PWs) bands (ev): -10.3138 -10.3138 -10.3138 -10.3138 -10.2936 -10.2936 -10.2936 -10.2936 -7.7818 -7.7818 -7.7818 -7.7818 -7.7586 -7.7586 -7.7586 -7.7586 -7.7285 -7.7285 -7.7285 -7.7285 -6.5168 -6.5168 -6.5166 -6.5166 -3.6719 -3.6719 -3.6717 -3.6717 -0.2073 -0.2073 -0.2073 -0.2073 3.0135 3.0135 3.0136 3.0136 4.2228 4.2228 4.2229 4.2229 5.4787 5.4787 5.4788 5.4788 5.9248 5.9248 5.9249 5.9249 7.2352 7.2352 7.2353 7.2353 8.6879 8.6879 8.6880 8.6880 10.3506 10.3506 10.3506 10.3506 11.3449 11.3450 k = 0.0000 0.5069 0.3277 ( 5854 PWs) bands (ev): -10.3138 -10.3138 -10.3138 -10.3138 -10.2936 -10.2936 -10.2936 -10.2936 -7.7818 -7.7818 -7.7818 -7.7818 -7.7586 -7.7586 -7.7586 -7.7586 -7.7285 -7.7285 -7.7285 -7.7285 -6.5168 -6.5168 -6.5166 -6.5166 -3.6719 -3.6719 -3.6717 -3.6717 -0.2073 -0.2073 -0.2073 -0.2073 3.0135 3.0135 3.0136 3.0136 4.2228 4.2228 4.2229 4.2229 5.4787 5.4787 5.4788 5.4788 5.9248 5.9248 5.9249 5.9249 7.2352 7.2352 7.2353 7.2353 8.6879 8.6879 8.6880 8.6880 10.3506 10.3506 10.3506 10.3506 11.3449 11.3450 k = 0.0100 0.4984 0.3408 ( 5852 PWs) bands (ev): -10.3138 -10.3138 -10.3138 -10.3138 -10.2936 -10.2936 -10.2936 -10.2936 -7.7825 -7.7825 -7.7813 -7.7813 -7.7589 -7.7589 -7.7582 -7.7582 -7.7286 -7.7286 -7.7285 -7.7285 -6.5167 -6.5167 -6.5161 -6.5161 -3.6731 -3.6731 -3.6729 -3.6729 -0.2059 -0.2059 -0.2053 -0.2053 3.0129 3.0129 3.0156 3.0156 4.2173 4.2173 4.2287 4.2287 5.4743 5.4743 5.4774 5.4774 5.9122 5.9122 5.9330 5.9330 7.2332 7.2332 7.2415 7.2415 8.6924 8.6924 8.6942 8.6942 10.3437 10.3437 10.3530 10.3530 11.3390 11.3390 k = 0.0200 0.4899 0.3539 ( 5848 PWs) bands (ev): -10.3139 -10.3139 -10.3138 -10.3138 -10.2936 -10.2936 -10.2935 -10.2935 -7.7834 -7.7834 -7.7810 -7.7810 -7.7590 -7.7590 -7.7578 -7.7578 -7.7287 -7.7287 -7.7284 -7.7284 -6.5161 -6.5161 -6.5148 -6.5148 -3.6766 -3.6766 -3.6762 -3.6762 -0.2014 -0.2014 -0.2002 -0.2002 3.0136 3.0136 3.0190 3.0190 4.2119 4.2119 4.2346 4.2346 5.4641 5.4641 5.4705 5.4705 5.8953 5.8953 5.9365 5.9365 7.2351 7.2351 7.2516 7.2516 8.7076 8.7076 8.7110 8.7110 10.3327 10.3327 10.3505 10.3505 11.3307 11.3307 k = 0.0300 0.4814 0.3670 ( 5852 PWs) bands (ev): -10.3139 -10.3139 -10.3138 -10.3138 -10.2936 -10.2936 -10.2935 -10.2935 -7.7843 -7.7843 -7.7809 -7.7809 -7.7590 -7.7590 -7.7573 -7.7573 -7.7287 -7.7287 -7.7283 -7.7283 -6.5147 -6.5147 -6.5128 -6.5128 -3.6823 -3.6823 -3.6817 -3.6817 -0.1938 -0.1938 -0.1919 -0.1919 3.0157 3.0157 3.0237 3.0237 4.2068 4.2068 4.2405 4.2405 5.4484 5.4484 5.4583 5.4583 5.8743 5.8743 5.9357 5.9357 7.2409 7.2409 7.2654 7.2654 8.7329 8.7329 8.7378 8.7378 10.3180 10.3180 10.3431 10.3431 11.3209 11.3209 k = 0.0400 0.4730 0.3801 ( 5856 PWs) bands (ev): -10.3139 -10.3139 -10.3138 -10.3138 -10.2936 -10.2936 -10.2935 -10.2935 -7.7854 -7.7854 -7.7810 -7.7810 -7.7589 -7.7589 -7.7567 -7.7567 -7.7288 -7.7288 -7.7282 -7.7282 -6.5128 -6.5128 -6.5103 -6.5103 -3.6901 -3.6901 -3.6894 -3.6894 -0.1831 -0.1831 -0.1806 -0.1806 3.0191 3.0191 3.0297 3.0297 4.2020 4.2020 4.2464 4.2464 5.4276 5.4276 5.4414 5.4414 5.8500 5.8500 5.9309 5.9309 7.2502 7.2502 7.2823 7.2823 8.7678 8.7678 8.7739 8.7739 10.3004 10.3004 10.3308 10.3308 11.3105 11.3105 k = 0.0500 0.4645 0.3932 ( 5858 PWs) bands (ev): -10.3140 -10.3140 -10.3138 -10.3138 -10.2936 -10.2936 -10.2935 -10.2935 -7.7865 -7.7865 -7.7813 -7.7813 -7.7586 -7.7586 -7.7561 -7.7561 -7.7288 -7.7288 -7.7282 -7.7282 -6.5102 -6.5102 -6.5071 -6.5071 -3.6998 -3.6998 -3.6990 -3.6990 -0.1695 -0.1695 -0.1666 -0.1666 3.0238 3.0238 3.0368 3.0368 4.1975 4.1975 4.2519 4.2519 5.4022 5.4022 5.4202 5.4202 5.8230 5.8230 5.9227 5.9227 7.2623 7.2623 7.3017 7.3017 8.8113 8.8113 8.8184 8.8184 10.2806 10.2806 10.3140 10.3140 11.3005 11.3005 k = 0.0600 0.4560 0.4063 ( 5854 PWs) bands (ev): -10.3140 -10.3140 -10.3138 -10.3138 -10.2936 -10.2936 -10.2935 -10.2935 -7.7877 -7.7877 -7.7819 -7.7819 -7.7582 -7.7582 -7.7555 -7.7555 -7.7288 -7.7288 -7.7281 -7.7281 -6.5070 -6.5070 -6.5035 -6.5035 -3.7113 -3.7113 -3.7103 -3.7103 -0.1534 -0.1534 -0.1499 -0.1499 3.0297 3.0297 3.0450 3.0450 4.1932 4.1932 4.2570 4.2570 5.3727 5.3727 5.3953 5.3953 5.7944 5.7944 5.9119 5.9119 7.2764 7.2764 7.3227 7.3227 8.8623 8.8623 8.8701 8.8701 10.2596 10.2596 10.2935 10.2935 11.2915 11.2915 k = 0.0700 0.4475 0.4195 ( 5856 PWs) bands (ev): -10.3140 -10.3140 -10.3139 -10.3139 -10.2936 -10.2936 -10.2935 -10.2935 -7.7889 -7.7889 -7.7826 -7.7826 -7.7577 -7.7577 -7.7549 -7.7549 -7.7288 -7.7288 -7.7280 -7.7280 -6.5033 -6.5033 -6.4993 -6.4993 -3.7244 -3.7244 -3.7233 -3.7233 -0.1349 -0.1349 -0.1310 -0.1310 3.0367 3.0367 3.0542 3.0542 4.1891 4.1891 4.2616 4.2616 5.3396 5.3396 5.3670 5.3670 5.7655 5.7655 5.8994 5.8994 7.2915 7.2915 7.3444 7.3444 8.9198 8.9198 8.9278 8.9278 10.2382 10.2382 10.2701 10.2701 11.2840 11.2840 k = 0.0800 0.4391 0.4326 ( 5846 PWs) bands (ev): -10.3141 -10.3141 -10.3139 -10.3139 -10.2936 -10.2936 -10.2935 -10.2935 -7.7900 -7.7900 -7.7834 -7.7834 -7.7571 -7.7571 -7.7543 -7.7543 -7.7288 -7.7288 -7.7279 -7.7279 -6.4991 -6.4991 -6.4948 -6.4948 -3.7389 -3.7389 -3.7376 -3.7376 -0.1144 -0.1144 -0.1100 -0.1100 3.0447 3.0447 3.0641 3.0641 4.1854 4.1854 4.2653 4.2653 5.3032 5.3032 5.3353 5.3353 5.7378 5.7378 5.8865 5.8865 7.3065 7.3065 7.3656 7.3656 8.9826 8.9826 8.9905 8.9905 10.2178 10.2178 10.2454 10.2454 11.2779 11.2779 k = 0.0900 0.4306 0.4457 ( 5850 PWs) bands (ev): -10.3141 -10.3141 -10.3139 -10.3139 -10.2936 -10.2936 -10.2935 -10.2935 -7.7912 -7.7912 -7.7843 -7.7843 -7.7565 -7.7565 -7.7538 -7.7538 -7.7288 -7.7288 -7.7278 -7.7278 -6.4945 -6.4945 -6.4898 -6.4898 -3.7544 -3.7544 -3.7531 -3.7531 -0.0921 -0.0921 -0.0874 -0.0874 3.0536 3.0536 3.0747 3.0747 4.1821 4.1821 4.2683 4.2683 5.2639 5.2639 5.3002 5.3002 5.7130 5.7130 5.8742 5.8742 7.3203 7.3203 7.3852 7.3852 9.0494 9.0494 9.0568 9.0568 10.1993 10.1993 10.2206 10.2206 11.2584 11.2584 k = 0.1000 0.4221 0.4588 ( 5846 PWs) bands (ev): -10.3142 -10.3142 -10.3140 -10.3140 -10.2936 -10.2936 -10.2935 -10.2935 -7.7923 -7.7923 -7.7853 -7.7853 -7.7559 -7.7559 -7.7532 -7.7532 -7.7288 -7.7288 -7.7277 -7.7277 -6.4896 -6.4896 -6.4846 -6.4846 -3.7708 -3.7708 -3.7693 -3.7693 -0.0684 -0.0684 -0.0634 -0.0634 3.0631 3.0631 3.0857 3.0857 4.1793 4.1793 4.2704 4.2704 5.2220 5.2220 5.2615 5.2615 5.6925 5.6925 5.8634 5.8634 7.3317 7.3317 7.4020 7.4020 9.1192 9.1192 9.1257 9.1257 10.1841 10.1841 10.1976 10.1976 11.2377 11.2377 k = 0.1100 0.4136 0.4719 ( 5850 PWs) bands (ev): -10.3142 -10.3142 -10.3140 -10.3140 -10.2936 -10.2936 -10.2935 -10.2935 -7.7934 -7.7934 -7.7864 -7.7864 -7.7553 -7.7553 -7.7528 -7.7528 -7.7287 -7.7287 -7.7277 -7.7277 -6.4843 -6.4843 -6.4792 -6.4792 -3.7877 -3.7877 -3.7862 -3.7862 -0.0437 -0.0437 -0.0385 -0.0385 3.0732 3.0732 3.0969 3.0969 4.1773 4.1773 4.2718 4.2718 5.1778 5.1778 5.2192 5.2192 5.6775 5.6775 5.8552 5.8552 7.3397 7.3397 7.4150 7.4150 9.1909 9.1909 9.1959 9.1959 10.1732 10.1732 10.1779 10.1779 11.2159 11.2159 k = 0.1200 0.4052 0.4850 ( 5850 PWs) bands (ev): -10.3143 -10.3143 -10.3140 -10.3140 -10.2936 -10.2936 -10.2935 -10.2935 -7.7944 -7.7944 -7.7875 -7.7875 -7.7547 -7.7547 -7.7523 -7.7523 -7.7287 -7.7287 -7.7276 -7.7276 -6.4789 -6.4789 -6.4737 -6.4737 -3.8049 -3.8049 -3.8034 -3.8034 -0.0184 -0.0184 -0.0130 -0.0130 3.0837 3.0837 3.1082 3.1082 4.1762 4.1762 4.2727 4.2727 5.1317 5.1317 5.1735 5.1735 5.6689 5.6689 5.8500 5.8500 7.3435 7.3435 7.4232 7.4232 9.2634 9.2634 9.2665 9.2665 10.1630 10.1630 10.1673 10.1673 11.1932 11.1932 k = 0.1300 0.3967 0.4981 ( 5846 PWs) bands (ev): -10.3143 -10.3143 -10.3141 -10.3141 -10.2936 -10.2936 -10.2935 -10.2935 -7.7954 -7.7954 -7.7887 -7.7887 -7.7541 -7.7541 -7.7519 -7.7519 -7.7286 -7.7286 -7.7275 -7.7275 -6.4733 -6.4733 -6.4681 -6.4681 -3.8222 -3.8222 -3.8206 -3.8206 0.0072 0.0072 0.0126 0.0126 3.0943 3.0943 3.1192 3.1192 4.1764 4.1764 4.2732 4.2732 5.0841 5.0841 5.1249 5.1249 5.6670 5.6670 5.8483 5.8483 7.3427 7.3427 7.4258 7.4258 9.3357 9.3357 9.3365 9.3365 10.1539 10.1539 10.1672 10.1672 11.1699 11.1699 k = 0.1400 0.3882 0.5112 ( 5854 PWs) bands (ev): -10.3144 -10.3144 -10.3141 -10.3141 -10.2936 -10.2936 -10.2935 -10.2935 -7.7963 -7.7963 -7.7898 -7.7898 -7.7535 -7.7535 -7.7515 -7.7515 -7.7285 -7.7285 -7.7275 -7.7275 -6.4677 -6.4677 -6.4626 -6.4626 -3.8392 -3.8392 -3.8376 -3.8376 0.0327 0.0327 0.0380 0.0380 3.1049 3.1049 3.1297 3.1297 4.1782 4.1782 4.2738 4.2738 5.0354 5.0354 5.0738 5.0738 5.6717 5.6717 5.8501 5.8501 7.3369 7.3369 7.4226 7.4226 9.4050 9.4050 9.4072 9.4072 10.1512 10.1512 10.1729 10.1729 11.1460 11.1460 k = 0.1500 0.3797 0.5243 ( 5844 PWs) bands (ev): -10.3144 -10.3144 -10.3142 -10.3142 -10.2936 -10.2936 -10.2935 -10.2935 -7.7970 -7.7970 -7.7910 -7.7910 -7.7530 -7.7530 -7.7512 -7.7512 -7.7284 -7.7284 -7.7274 -7.7274 -6.4622 -6.4622 -6.4572 -6.4572 -3.8557 -3.8557 -3.8542 -3.8542 0.0576 0.0576 0.0628 0.0628 3.1152 3.1152 3.1396 3.1396 4.1819 4.1819 4.2749 4.2749 4.9861 4.9861 5.0212 5.0212 5.6824 5.6824 5.8552 5.8552 7.3263 7.3263 7.4133 7.4133 9.4714 9.4714 9.4769 9.4769 10.1552 10.1552 10.1841 10.1841 11.1220 11.1220 k = 0.1600 0.3713 0.5374 ( 5844 PWs) bands (ev): -10.3144 -10.3144 -10.3142 -10.3142 -10.2936 -10.2936 -10.2935 -10.2935 -7.7977 -7.7977 -7.7921 -7.7921 -7.7525 -7.7525 -7.7509 -7.7509 -7.7283 -7.7283 -7.7274 -7.7274 -6.4568 -6.4568 -6.4520 -6.4520 -3.8715 -3.8715 -3.8700 -3.8700 0.0815 0.0815 0.0865 0.0865 3.1252 3.1252 3.1486 3.1486 4.1878 4.1878 4.2768 4.2768 4.9368 4.9368 4.9678 4.9678 5.6985 5.6985 5.8632 5.8632 7.3115 7.3115 7.3984 7.3984 9.5352 9.5352 9.5442 9.5442 10.1653 10.1653 10.2001 10.2001 11.0981 11.0981 k = 0.1700 0.3628 0.5505 ( 5842 PWs) bands (ev): -10.3145 -10.3145 -10.3143 -10.3143 -10.2936 -10.2936 -10.2935 -10.2935 -7.7983 -7.7983 -7.7931 -7.7931 -7.7521 -7.7521 -7.7507 -7.7507 -7.7282 -7.7282 -7.7273 -7.7273 -6.4516 -6.4516 -6.4471 -6.4471 -3.8862 -3.8862 -3.8848 -3.8848 0.1042 0.1042 0.1089 0.1089 3.1345 3.1345 3.1566 3.1566 4.1962 4.1962 4.2800 4.2800 4.8880 4.8880 4.9145 4.9145 5.7191 5.7191 5.8734 5.8734 7.2933 7.2933 7.3785 7.3785 9.5960 9.5960 9.6083 9.6083 10.1805 10.1805 10.2195 10.2195 11.0751 11.0751 k = 0.1800 0.3543 0.5636 ( 5838 PWs) bands (ev): -10.3145 -10.3145 -10.3143 -10.3143 -10.2936 -10.2936 -10.2935 -10.2935 -7.7988 -7.7988 -7.7941 -7.7941 -7.7517 -7.7517 -7.7505 -7.7505 -7.7281 -7.7281 -7.7273 -7.7273 -6.4467 -6.4467 -6.4426 -6.4426 -3.8998 -3.8998 -3.8985 -3.8985 0.1252 0.1252 0.1295 0.1295 3.1432 3.1432 3.1634 3.1634 4.2072 4.2072 4.2846 4.2846 4.8405 4.8405 4.8621 4.8621 5.7431 5.7431 5.8850 5.8850 7.2729 7.2729 7.3545 7.3545 9.6533 9.6533 9.6687 9.6687 10.1995 10.1995 10.2407 10.2407 11.0538 11.0538 k = 0.1900 0.3458 0.5767 ( 5840 PWs) bands (ev): -10.3145 -10.3145 -10.3143 -10.3143 -10.2936 -10.2936 -10.2935 -10.2935 -7.7992 -7.7992 -7.7951 -7.7951 -7.7513 -7.7513 -7.7503 -7.7503 -7.7280 -7.7280 -7.7273 -7.7273 -6.4423 -6.4423 -6.4386 -6.4386 -3.9120 -3.9120 -3.9108 -3.9108 0.1442 0.1442 0.1481 0.1481 3.1510 3.1510 3.1690 3.1690 4.2207 4.2207 4.2907 4.2907 4.7950 4.7950 4.8115 4.8115 5.7696 5.7696 5.8968 5.8968 7.2518 7.2518 7.3277 7.3277 9.7069 9.7069 9.7245 9.7245 10.2204 10.2204 10.2619 10.2619 11.0351 11.0351 k = 0.2000 0.3374 0.5899 ( 5840 PWs) bands (ev): -10.3145 -10.3145 -10.3144 -10.3144 -10.2935 -10.2935 -10.2935 -10.2935 -7.7994 -7.7994 -7.7959 -7.7959 -7.7510 -7.7510 -7.7502 -7.7502 -7.7279 -7.7279 -7.7273 -7.7273 -6.4383 -6.4383 -6.4352 -6.4352 -3.9225 -3.9225 -3.9215 -3.9215 0.1610 0.1610 0.1643 0.1643 3.1579 3.1579 3.1734 3.1734 4.2366 4.2366 4.2981 4.2981 4.7522 4.7522 4.7640 4.7640 5.7972 5.7972 5.9077 5.9077 7.2315 7.2315 7.2996 7.2996 9.7560 9.7560 9.7747 9.7747 10.2417 10.2417 10.2813 10.2813 11.0204 11.0204 k = 0.2100 0.3289 0.6030 ( 5844 PWs) bands (ev): -10.3145 -10.3145 -10.3144 -10.3144 -10.2935 -10.2935 -10.2935 -10.2935 -7.7996 -7.7996 -7.7967 -7.7967 -7.7508 -7.7508 -7.7501 -7.7501 -7.7278 -7.7278 -7.7273 -7.7273 -6.4349 -6.4349 -6.4323 -6.4323 -3.9314 -3.9314 -3.9305 -3.9305 0.1751 0.1751 0.1779 0.1779 3.1639 3.1639 3.1766 3.1766 4.2543 4.2543 4.3063 4.3063 4.7133 4.7133 4.7206 4.7206 5.8247 5.8247 5.9164 5.9164 7.2138 7.2138 7.2718 7.2718 9.7999 9.7999 9.8180 9.8180 10.2619 10.2619 10.2972 10.2972 11.0108 11.0108 k = 0.2200 0.3204 0.6161 ( 5844 PWs) bands (ev): -10.3145 -10.3145 -10.3144 -10.3144 -10.2935 -10.2935 -10.2935 -10.2935 -7.7996 -7.7996 -7.7975 -7.7975 -7.7506 -7.7506 -7.7500 -7.7500 -7.7277 -7.7277 -7.7273 -7.7273 -6.4321 -6.4321 -6.4301 -6.4301 -3.9384 -3.9384 -3.9377 -3.9377 0.1865 0.1865 0.1886 0.1886 3.1689 3.1689 3.1786 3.1786 4.2729 4.2729 4.3141 4.3141 4.6796 4.6796 4.6832 4.6832 5.8508 5.8508 5.9218 5.9218 7.2000 7.2000 7.2459 7.2459 9.8373 9.8373 9.8531 9.8531 10.2796 10.2796 10.3085 10.3085 11.0074 11.0074 k = 0.2300 0.3120 0.6292 ( 5834 PWs) bands (ev): -10.3145 -10.3145 -10.3145 -10.3145 -10.2935 -10.2935 -10.2935 -10.2935 -7.7995 -7.7995 -7.7981 -7.7981 -7.7504 -7.7504 -7.7500 -7.7500 -7.7276 -7.7276 -7.7273 -7.7273 -6.4299 -6.4299 -6.4286 -6.4286 -3.9434 -3.9434 -3.9430 -3.9430 0.1948 0.1948 0.1963 0.1963 3.1729 3.1729 3.1794 3.1794 4.2908 4.2908 4.3198 4.3198 4.6528 4.6528 4.6539 4.6539 5.8743 5.8743 5.9227 5.9227 7.1917 7.1917 7.2235 7.2235 9.8667 9.8667 9.8785 9.8785 10.2942 10.2942 10.3147 10.3147 11.0107 11.0107 k = 0.2400 0.3035 0.6423 ( 5834 PWs) bands (ev): -10.3145 -10.3145 -10.3145 -10.3145 -10.2935 -10.2935 -10.2935 -10.2935 -7.7993 -7.7993 -7.7986 -7.7986 -7.7502 -7.7502 -7.7501 -7.7501 -7.7275 -7.7275 -7.7274 -7.7274 -6.4285 -6.4285 -6.4278 -6.4278 -3.9464 -3.9464 -3.9462 -3.9462 0.2000 0.2000 0.2008 0.2008 3.1760 3.1760 3.1793 3.1793 4.3062 4.3062 4.3212 4.3212 4.6350 4.6350 4.6351 4.6351 5.8939 5.8939 5.9185 5.9185 7.1897 7.1897 7.2060 7.2060 9.8866 9.8866 9.8929 9.8929 10.3053 10.3053 10.3159 10.3159 11.0208 11.0208 k = 0.2500 0.2950 0.6554 ( 5836 PWs) bands (ev): -10.3145 -10.3145 -10.3145 -10.3145 -10.2935 -10.2935 -10.2935 -10.2935 -7.7990 -7.7990 -7.7990 -7.7990 -7.7501 -7.7501 -7.7501 -7.7501 -7.7274 -7.7274 -7.7274 -7.7274 -6.4279 -6.4279 -6.4277 -6.4277 -3.9474 -3.9474 -3.9473 -3.9473 0.2020 0.2020 0.2021 0.2021 3.1780 3.1780 3.1782 3.1782 4.3167 4.3167 4.3169 4.3169 4.6286 4.6286 4.6288 4.6288 5.9088 5.9088 5.9089 5.9089 7.1945 7.1945 7.1946 7.1946 9.8956 9.8956 9.8957 9.8957 10.3126 10.3126 10.3127 10.3127 11.0371 11.0371 k = 0.2500 0.2950 0.6554 ( 5836 PWs) bands (ev): -10.3145 -10.3145 -10.3145 -10.3145 -10.2935 -10.2935 -10.2935 -10.2935 -7.7990 -7.7990 -7.7990 -7.7990 -7.7501 -7.7501 -7.7501 -7.7501 -7.7274 -7.7274 -7.7274 -7.7274 -6.4279 -6.4279 -6.4277 -6.4277 -3.9474 -3.9474 -3.9473 -3.9473 0.2020 0.2020 0.2021 0.2021 3.1780 3.1780 3.1782 3.1782 4.3167 4.3167 4.3169 4.3169 4.6286 4.6286 4.6288 4.6288 5.9088 5.9088 5.9089 5.9089 7.1945 7.1945 7.1946 7.1946 9.8956 9.8956 9.8957 9.8957 10.3126 10.3126 10.3127 10.3127 11.0371 11.0371 k = 0.2578 0.3042 0.6411 ( 5836 PWs) bands (ev): -10.3147 -10.3147 -10.3144 -10.3144 -10.2936 -10.2936 -10.2934 -10.2934 -7.8011 -7.8011 -7.7969 -7.7969 -7.7505 -7.7505 -7.7497 -7.7497 -7.7279 -7.7279 -7.7269 -7.7269 -6.4371 -6.4371 -6.4189 -6.4189 -3.9608 -3.9608 -3.9325 -3.9325 0.1952 0.1952 0.2068 0.2068 3.1680 3.1680 3.1872 3.1872 4.2659 4.2659 4.3635 4.3635 4.5900 4.5900 4.6772 4.6772 5.8709 5.8709 5.9447 5.9447 7.1801 7.1801 7.2134 7.2134 9.8679 9.8679 9.9130 9.9130 10.3054 10.3054 10.3173 10.3173 11.0218 11.0218 k = 0.2656 0.3134 0.6269 ( 5833 PWs) bands (ev): -10.3148 -10.3148 -10.3142 -10.3142 -10.2937 -10.2937 -10.2933 -10.2933 -7.8031 -7.8031 -7.7948 -7.7948 -7.7509 -7.7509 -7.7492 -7.7492 -7.7285 -7.7285 -7.7264 -7.7264 -6.4457 -6.4457 -6.4116 -6.4116 -3.9735 -3.9735 -3.9159 -3.9159 0.1857 0.1857 0.2101 0.2101 3.1521 3.1521 3.1995 3.1995 4.2109 4.2109 4.4053 4.4053 4.5727 4.5727 4.7257 4.7257 5.8258 5.8258 5.9842 5.9842 7.1747 7.1747 7.2314 7.2314 9.8321 9.8321 9.9184 9.9184 10.2965 10.2965 10.3194 10.3194 11.0147 11.0147 k = 0.2734 0.3227 0.6126 ( 5838 PWs) bands (ev): -10.3149 -10.3149 -10.3141 -10.3141 -10.2938 -10.2938 -10.2932 -10.2932 -7.8050 -7.8050 -7.7927 -7.7927 -7.7512 -7.7512 -7.7487 -7.7487 -7.7290 -7.7290 -7.7259 -7.7259 -6.4535 -6.4535 -6.4057 -6.4057 -3.9851 -3.9851 -3.8979 -3.8979 0.1735 0.1735 0.2117 0.2117 3.1296 3.1296 3.2148 3.2148 4.1551 4.1551 4.4371 4.4371 4.5799 4.5799 4.7734 4.7734 5.7756 5.7756 6.0274 6.0274 7.1771 7.1771 7.2486 7.2486 9.7899 9.7899 9.9109 9.9109 10.2856 10.2856 10.3207 10.3207 11.0142 11.0142 k = 0.2812 0.3319 0.5984 ( 5845 PWs) bands (ev): -10.3151 -10.3151 -10.3139 -10.3139 -10.2939 -10.2939 -10.2932 -10.2932 -7.8068 -7.8068 -7.7907 -7.7907 -7.7514 -7.7514 -7.7481 -7.7481 -7.7296 -7.7296 -7.7254 -7.7254 -6.4606 -6.4606 -6.4012 -6.4012 -3.9958 -3.9958 -3.8787 -3.8787 0.1587 0.1587 0.2114 0.2114 3.1002 3.1002 3.2330 3.2330 4.1015 4.1015 4.4587 4.4587 4.6100 4.6100 4.8198 4.8198 5.7225 5.7225 6.0740 6.0740 7.1856 7.1856 7.2649 7.2649 9.7424 9.7424 9.8909 9.8909 10.2733 10.2733 10.3226 10.3226 11.0166 11.0166 k = 0.2891 0.3411 0.5841 ( 5845 PWs) bands (ev): -10.3152 -10.3152 -10.3138 -10.3138 -10.2939 -10.2939 -10.2931 -10.2931 -7.8085 -7.8085 -7.7888 -7.7888 -7.7516 -7.7516 -7.7476 -7.7476 -7.7302 -7.7302 -7.7249 -7.7249 -6.4669 -6.4669 -6.3981 -6.3981 -4.0054 -4.0054 -3.8584 -3.8584 0.1417 0.1417 0.2089 0.2089 3.0639 3.0639 3.2537 3.2537 4.0520 4.0520 4.4769 4.4769 4.6544 4.6544 4.8642 4.8642 5.6693 5.6693 6.1239 6.1239 7.1984 7.1984 7.2804 7.2804 9.6902 9.6902 9.8596 9.8596 10.2606 10.2606 10.3257 10.3257 11.0155 11.0155 k = 0.2969 0.3503 0.5698 ( 5851 PWs) bands (ev): -10.3154 -10.3154 -10.3136 -10.3136 -10.2940 -10.2940 -10.2930 -10.2930 -7.8101 -7.8101 -7.7870 -7.7870 -7.7516 -7.7516 -7.7470 -7.7470 -7.7308 -7.7308 -7.7244 -7.7244 -6.4723 -6.4723 -6.3963 -6.3963 -4.0139 -4.0139 -3.8375 -3.8375 0.1226 0.1226 0.2040 0.2040 3.0213 3.0213 3.2764 3.2764 4.0078 4.0078 4.4979 4.4979 4.7056 4.7056 4.9053 4.9053 5.6192 5.6192 6.1766 6.1766 7.2136 7.2136 7.2954 7.2954 9.6330 9.6330 9.8201 9.8201 10.2479 10.2479 10.3296 10.3296 11.0036 11.0036 k = 0.3047 0.3595 0.5556 ( 5861 PWs) bands (ev): -10.3156 -10.3156 -10.3134 -10.3134 -10.2941 -10.2941 -10.2929 -10.2929 -7.8115 -7.8115 -7.7853 -7.7853 -7.7515 -7.7515 -7.7464 -7.7464 -7.7314 -7.7314 -7.7239 -7.7239 -6.4768 -6.4768 -6.3957 -6.3957 -4.0212 -4.0212 -3.8161 -3.8161 0.1016 0.1016 0.1965 0.1965 2.9733 2.9733 3.3008 3.3008 3.9692 3.9692 4.5245 4.5245 4.7596 4.7596 4.9415 4.9415 5.5760 5.5760 6.2317 6.2317 7.2294 7.2294 7.3102 7.3102 9.5704 9.5704 9.7758 9.7758 10.2350 10.2350 10.3340 10.3340 10.9808 10.9808 k = 0.3125 0.3688 0.5413 ( 5861 PWs) bands (ev): -10.3157 -10.3157 -10.3132 -10.3132 -10.2942 -10.2942 -10.2928 -10.2928 -7.8127 -7.8127 -7.7839 -7.7839 -7.7513 -7.7513 -7.7458 -7.7458 -7.7321 -7.7321 -7.7235 -7.7235 -6.4804 -6.4804 -6.3962 -6.3962 -4.0274 -4.0274 -3.7945 -3.7945 0.0790 0.0790 0.1864 0.1864 2.9210 2.9210 3.3261 3.3261 3.9365 3.9365 4.5576 4.5576 4.8133 4.8133 4.9706 4.9706 5.5441 5.5441 6.2888 6.2888 7.2439 7.2439 7.3252 7.3252 9.5018 9.5018 9.7302 9.7302 10.2215 10.2215 10.3384 10.3384 10.9513 10.9513 k = 0.3203 0.3780 0.5271 ( 5853 PWs) bands (ev): -10.3159 -10.3159 -10.3130 -10.3130 -10.2943 -10.2943 -10.2927 -10.2927 -7.8137 -7.8137 -7.7826 -7.7826 -7.7509 -7.7509 -7.7452 -7.7452 -7.7327 -7.7327 -7.7231 -7.7231 -6.4830 -6.4830 -6.3978 -6.3978 -4.0324 -4.0324 -3.7731 -3.7731 0.0550 0.0550 0.1735 0.1735 2.8660 2.8660 3.3519 3.3519 3.9095 3.9095 4.5972 4.5972 4.8631 4.8631 4.9923 4.9923 5.5281 5.5281 6.3475 6.3475 7.2556 7.2556 7.3409 7.3409 9.4267 9.4267 9.6862 9.6862 10.2068 10.2068 10.3425 10.3425 10.9186 10.9186 k = 0.3281 0.3872 0.5128 ( 5846 PWs) bands (ev): -10.3160 -10.3160 -10.3128 -10.3128 -10.2944 -10.2944 -10.2926 -10.2926 -7.8146 -7.8146 -7.7815 -7.7815 -7.7504 -7.7504 -7.7446 -7.7446 -7.7333 -7.7333 -7.7227 -7.7227 -6.4847 -6.4847 -6.4004 -6.4004 -4.0363 -4.0363 -3.7520 -3.7520 0.0299 0.0299 0.1577 0.1577 2.8094 2.8094 3.3773 3.3773 3.8884 3.8884 4.6430 4.6430 4.9001 4.9001 5.0127 5.0127 5.5309 5.5309 6.4071 6.4071 7.2635 7.2635 7.3575 7.3575 9.3455 9.3455 9.6456 9.6456 10.1905 10.1905 10.3458 10.3458 10.8857 10.8857 k = 0.3359 0.3964 0.4985 ( 5851 PWs) bands (ev): -10.3162 -10.3162 -10.3126 -10.3126 -10.2945 -10.2945 -10.2925 -10.2925 -7.8153 -7.8153 -7.7806 -7.7806 -7.7499 -7.7499 -7.7440 -7.7440 -7.7339 -7.7339 -7.7224 -7.7224 -6.4855 -6.4855 -6.4038 -6.4038 -4.0389 -4.0389 -3.7315 -3.7315 0.0038 0.0038 0.1390 0.1390 2.7525 2.7525 3.4014 3.4014 3.8735 3.8735 4.6942 4.6942 4.9106 4.9106 5.0454 5.0454 5.5529 5.5529 6.4672 6.4672 7.2673 7.2673 7.3746 7.3746 9.2587 9.2587 9.6093 9.6093 10.1725 10.1725 10.3481 10.3481 10.8547 10.8547 k = 0.3438 0.4056 0.4843 ( 5849 PWs) bands (ev): -10.3163 -10.3163 -10.3124 -10.3124 -10.2945 -10.2945 -10.2924 -10.2924 -7.8158 -7.8158 -7.7799 -7.7799 -7.7493 -7.7493 -7.7434 -7.7434 -7.7344 -7.7344 -7.7220 -7.7220 -6.4854 -6.4854 -6.4079 -6.4079 -4.0403 -4.0403 -3.7119 -3.7119 -0.0230 -0.0230 0.1175 0.1175 2.6966 2.6966 3.4231 3.4231 3.8653 3.8653 4.7497 4.7497 4.8963 4.8963 5.0923 5.0923 5.5915 5.5915 6.5272 6.5272 7.2672 7.2672 7.3918 7.3918 9.1674 9.1674 9.5777 9.5777 10.1526 10.1526 10.3493 10.3493 10.8270 10.8270 k = 0.3516 0.4148 0.4700 ( 5847 PWs) bands (ev): -10.3165 -10.3165 -10.3121 -10.3121 -10.2946 -10.2946 -10.2923 -10.2923 -7.8161 -7.8161 -7.7793 -7.7793 -7.7488 -7.7488 -7.7428 -7.7428 -7.7348 -7.7348 -7.7217 -7.7217 -6.4845 -6.4845 -6.4125 -6.4125 -4.0405 -4.0405 -3.6934 -3.6934 -0.0503 -0.0503 0.0932 0.0932 2.6426 2.6426 3.4414 3.4414 3.8645 3.8645 4.8050 4.8050 4.8720 4.8720 5.1454 5.1454 5.6431 5.6431 6.5865 6.5865 7.2635 7.2635 7.4084 7.4084 9.0727 9.0727 9.5508 9.5508 10.1310 10.1310 10.3496 10.3496 10.8039 10.8039 k = 0.3594 0.4241 0.4558 ( 5845 PWs) bands (ev): -10.3166 -10.3166 -10.3119 -10.3119 -10.2947 -10.2947 -10.2922 -10.2922 -7.8162 -7.8162 -7.7789 -7.7789 -7.7485 -7.7485 -7.7422 -7.7422 -7.7350 -7.7350 -7.7215 -7.7215 -6.4831 -6.4831 -6.4174 -6.4174 -4.0395 -4.0395 -3.6763 -3.6763 -0.0780 -0.0780 0.0661 0.0661 2.5913 2.5913 3.4554 3.4554 3.8717 3.8717 4.8167 4.8167 4.8876 4.8876 5.2005 5.2005 5.7046 5.7046 6.6446 6.6446 7.2567 7.2567 7.4244 7.4244 8.9757 8.9757 9.5282 9.5282 10.1080 10.1080 10.3490 10.3490 10.7856 10.7856 k = 0.3672 0.4333 0.4415 ( 5846 PWs) bands (ev): -10.3168 -10.3168 -10.3116 -10.3116 -10.2948 -10.2948 -10.2921 -10.2921 -7.8161 -7.8161 -7.7786 -7.7786 -7.7483 -7.7483 -7.7416 -7.7416 -7.7350 -7.7350 -7.7213 -7.7213 -6.4814 -6.4814 -6.4222 -6.4222 -4.0373 -4.0373 -3.6606 -3.6606 -0.1059 -0.1059 0.0364 0.0364 2.5435 2.5435 3.4645 3.4645 3.8872 3.8872 4.7820 4.7820 4.9485 4.9485 5.2560 5.2560 5.7736 5.7736 6.7008 6.7008 7.2476 7.2476 7.4396 7.4396 8.8772 8.8772 9.5099 9.5099 10.0842 10.0842 10.3479 10.3479 10.7723 10.7723 k = 0.3750 0.4425 0.4272 ( 5851 PWs) bands (ev): -10.3169 -10.3169 -10.3113 -10.3113 -10.2949 -10.2949 -10.2920 -10.2920 -7.8158 -7.8158 -7.7785 -7.7785 -7.7484 -7.7484 -7.7411 -7.7411 -7.7348 -7.7348 -7.7211 -7.7211 -6.4802 -6.4802 -6.4261 -6.4261 -4.0339 -4.0339 -3.6466 -3.6466 -0.1339 -0.1339 0.0044 0.0044 2.4999 2.4999 3.4687 3.4687 3.9109 3.9109 4.7423 4.7423 5.0144 5.0144 5.3111 5.3111 5.8483 5.8483 6.7543 6.7543 7.2368 7.2368 7.4541 7.4541 8.7781 8.7781 9.4953 9.4953 10.0601 10.0601 10.3464 10.3464 10.7640 10.7640 k = 0.3828 0.4517 0.4130 ( 5861 PWs) bands (ev): -10.3171 -10.3171 -10.3110 -10.3110 -10.2949 -10.2949 -10.2920 -10.2920 -7.8154 -7.8154 -7.7784 -7.7784 -7.7488 -7.7488 -7.7405 -7.7405 -7.7342 -7.7342 -7.7209 -7.7209 -6.4801 -6.4801 -6.4284 -6.4284 -4.0293 -4.0293 -3.6344 -3.6344 -0.1619 -0.1619 -0.0300 -0.0300 2.4609 2.4609 3.4687 3.4687 3.9422 3.9422 4.7023 4.7023 5.0805 5.0805 5.3655 5.3655 5.9276 5.9276 6.8043 6.8043 7.2251 7.2251 7.4686 7.4686 8.6795 8.6795 9.4843 9.4843 10.0364 10.0364 10.3448 10.3448 10.7604 10.7604 k = 0.3906 0.4609 0.3987 ( 5859 PWs) bands (ev): -10.3172 -10.3172 -10.3107 -10.3107 -10.2950 -10.2950 -10.2919 -10.2919 -7.8147 -7.8147 -7.7783 -7.7783 -7.7495 -7.7495 -7.7400 -7.7400 -7.7335 -7.7335 -7.7208 -7.7208 -6.4823 -6.4823 -6.4281 -6.4281 -4.0236 -4.0236 -3.6241 -3.6241 -0.1898 -0.1898 -0.0663 -0.0663 2.4269 2.4269 3.4651 3.4651 3.9801 3.9801 4.6631 4.6631 5.1445 5.1445 5.4189 5.4189 6.0102 6.0102 6.8501 6.8501 7.2138 7.2138 7.4835 7.4835 8.5821 8.5821 9.4766 9.4766 10.0137 10.0137 10.3432 10.3432 10.7612 10.7612 k = 0.3984 0.4702 0.3845 ( 5862 PWs) bands (ev): -10.3173 -10.3173 -10.3104 -10.3104 -10.2951 -10.2951 -10.2919 -10.2919 -7.8139 -7.8139 -7.7783 -7.7783 -7.7503 -7.7503 -7.7395 -7.7395 -7.7326 -7.7326 -7.7207 -7.7207 -6.4870 -6.4870 -6.4247 -6.4247 -4.0169 -4.0169 -3.6158 -3.6158 -0.2175 -0.2175 -0.1044 -0.1044 2.3984 2.3984 3.4589 3.4589 4.0239 4.0239 4.6254 4.6254 5.2046 5.2046 5.4714 5.4714 6.0952 6.0952 6.8908 6.8908 7.2039 7.2039 7.4996 7.4996 8.4868 8.4868 9.4717 9.4717 9.9923 9.9923 10.3416 10.3416 10.7662 10.7662 k = 0.4062 0.4794 0.3702 ( 5856 PWs) bands (ev): -10.3174 -10.3174 -10.3101 -10.3101 -10.2951 -10.2951 -10.2918 -10.2918 -7.8129 -7.8129 -7.7783 -7.7783 -7.7513 -7.7513 -7.7389 -7.7389 -7.7317 -7.7317 -7.7206 -7.7206 -6.4938 -6.4938 -6.4188 -6.4188 -4.0090 -4.0090 -3.6093 -3.6093 -0.2449 -0.2449 -0.1440 -0.1440 2.3754 2.3754 3.4507 3.4507 4.0727 4.0727 4.5895 4.5895 5.2586 5.2586 5.5229 5.5229 6.1816 6.1816 6.9259 6.9259 7.1969 7.1969 7.5176 7.5176 8.3945 8.3945 9.4695 9.4695 9.9725 9.9725 10.3400 10.3400 10.7752 10.7752 k = 0.4141 0.4886 0.3560 ( 5850 PWs) bands (ev): -10.3175 -10.3175 -10.3098 -10.3098 -10.2952 -10.2952 -10.2918 -10.2918 -7.8117 -7.8117 -7.7783 -7.7783 -7.7525 -7.7525 -7.7384 -7.7384 -7.7307 -7.7307 -7.7206 -7.7206 -6.5022 -6.5022 -6.4108 -6.4108 -4.0001 -4.0001 -3.6049 -3.6049 -0.2720 -0.2720 -0.1848 -0.1848 2.3583 2.3583 3.4411 3.4411 4.1258 4.1258 4.5555 4.5555 5.3048 5.3048 5.5728 5.5728 6.2682 6.2682 6.9555 6.9555 7.1939 7.1939 7.5383 7.5383 8.3064 8.3064 9.4698 9.4698 9.9544 9.9544 10.3384 10.3384 10.7879 10.7879 k = 0.4219 0.4978 0.3417 ( 5844 PWs) bands (ev): -10.3176 -10.3176 -10.3095 -10.3095 -10.2952 -10.2952 -10.2918 -10.2918 -7.8104 -7.8104 -7.7783 -7.7783 -7.7537 -7.7537 -7.7379 -7.7379 -7.7297 -7.7297 -7.7206 -7.7206 -6.5117 -6.5117 -6.4012 -6.4012 -3.9903 -3.9903 -3.6023 -3.6023 -0.2987 -0.2987 -0.2265 -0.2265 2.3471 2.3471 3.4307 3.4307 4.1828 4.1828 4.5236 4.5236 5.3417 5.3417 5.6206 5.6206 6.3534 6.3534 6.9804 6.9804 7.1958 7.1958 7.5620 7.5620 8.2234 8.2234 9.4723 9.4723 9.9381 9.9381 10.3366 10.3366 10.8039 10.8039 k = 0.4297 0.5070 0.3274 ( 5839 PWs) bands (ev): -10.3177 -10.3177 -10.3092 -10.3092 -10.2953 -10.2953 -10.2917 -10.2917 -7.8089 -7.8089 -7.7784 -7.7784 -7.7550 -7.7550 -7.7374 -7.7374 -7.7288 -7.7288 -7.7206 -7.7206 -6.5221 -6.5221 -6.3904 -6.3904 -3.9795 -3.9795 -3.6015 -3.6015 -0.3248 -0.3248 -0.2689 -0.2689 2.3419 2.3419 3.4197 3.4197 4.2432 4.2432 4.4937 4.4937 5.3680 5.3680 5.6653 5.6653 6.4353 6.4353 7.0027 7.0027 7.2028 7.2028 7.5888 7.5888 8.1471 8.1471 9.4770 9.4770 9.9233 9.9233 10.3345 10.3345 10.8227 10.8227 k = 0.4375 0.5163 0.3132 ( 5841 PWs) bands (ev): -10.3178 -10.3178 -10.3088 -10.3088 -10.2953 -10.2953 -10.2917 -10.2917 -7.8074 -7.8074 -7.7784 -7.7784 -7.7563 -7.7563 -7.7369 -7.7369 -7.7279 -7.7279 -7.7206 -7.7206 -6.5330 -6.5330 -6.3787 -6.3787 -3.9680 -3.9680 -3.6025 -3.6025 -0.3504 -0.3504 -0.3116 -0.3116 2.3426 2.3426 3.4084 3.4084 4.3063 4.3063 4.4661 4.4661 5.3830 5.3830 5.7058 5.7058 6.5114 6.5114 7.0257 7.0257 7.2146 7.2146 7.6183 7.6183 8.0791 8.0791 9.4837 9.4837 9.9099 9.9099 10.3320 10.3320 10.8436 10.8436 k = 0.4453 0.5255 0.2989 ( 5842 PWs) bands (ev): -10.3178 -10.3178 -10.3085 -10.3085 -10.2954 -10.2954 -10.2917 -10.2917 -7.8057 -7.8057 -7.7784 -7.7784 -7.7576 -7.7576 -7.7364 -7.7364 -7.7271 -7.7271 -7.7206 -7.7206 -6.5444 -6.5444 -6.3662 -6.3662 -3.9556 -3.9556 -3.6050 -3.6050 -0.3753 -0.3753 -0.3543 -0.3543 2.3492 2.3492 3.3970 3.3970 4.3694 4.3694 4.4431 4.4431 5.3862 5.3862 5.7412 5.7412 6.5783 6.5783 7.0530 7.0530 7.2299 7.2299 7.6501 7.6501 8.0217 8.0217 9.4922 9.4922 9.8976 9.8976 10.3290 10.3290 10.8655 10.8655 k = 0.4531 0.5347 0.2847 ( 5834 PWs) bands (ev): -10.3179 -10.3179 -10.3082 -10.3082 -10.2954 -10.2954 -10.2917 -10.2917 -7.8039 -7.8039 -7.7784 -7.7784 -7.7590 -7.7590 -7.7359 -7.7359 -7.7263 -7.7263 -7.7207 -7.7207 -6.5562 -6.5562 -6.3530 -6.3530 -3.9425 -3.9425 -3.6090 -3.6090 -0.4000 -0.4000 -0.3961 -0.3961 2.3614 2.3614 3.3856 3.3856 4.4004 4.4004 4.4564 4.4564 5.3772 5.3772 5.7713 5.7713 6.6329 6.6329 7.0875 7.0875 7.2476 7.2476 7.6837 7.6837 7.9774 7.9774 9.5022 9.5022 9.8860 9.8860 10.3256 10.3256 10.8869 10.8869 k = 0.4609 0.5439 0.2704 ( 5833 PWs) bands (ev): -10.3180 -10.3180 -10.3079 -10.3079 -10.2954 -10.2954 -10.2917 -10.2917 -7.8021 -7.8021 -7.7785 -7.7785 -7.7603 -7.7603 -7.7354 -7.7354 -7.7256 -7.7256 -7.7208 -7.7208 -6.5682 -6.5682 -6.3393 -6.3393 -3.9289 -3.9289 -3.6142 -3.6142 -0.4388 -0.4388 -0.4223 -0.4223 2.3791 2.3791 3.3744 3.3744 4.3828 4.3828 4.5222 4.5222 5.3559 5.3559 5.7960 5.7960 6.6729 6.6729 7.1285 7.1285 7.2670 7.2670 7.7189 7.7189 7.9490 7.9490 9.5133 9.5133 9.8748 9.8748 10.3216 10.3216 10.9059 10.9059 k = 0.4688 0.5531 0.2561 ( 5841 PWs) bands (ev): -10.3180 -10.3180 -10.3076 -10.3076 -10.2955 -10.2955 -10.2918 -10.2918 -7.8002 -7.8002 -7.7785 -7.7785 -7.7616 -7.7616 -7.7349 -7.7349 -7.7250 -7.7250 -7.7208 -7.7208 -6.5805 -6.5805 -6.3253 -6.3253 -3.9147 -3.9147 -3.6204 -3.6204 -0.4796 -0.4796 -0.4445 -0.4445 2.4022 2.4022 3.3634 3.3634 4.3609 4.3609 4.5956 4.5956 5.3229 5.3229 5.8157 5.8157 6.6989 6.6989 7.1683 7.1683 7.2919 7.2919 7.7563 7.7563 7.9385 7.9385 9.5248 9.5248 9.8639 9.8639 10.3173 10.3173 10.9199 10.9199 k = 0.4766 0.5623 0.2419 ( 5848 PWs) bands (ev): -10.3180 -10.3180 -10.3073 -10.3073 -10.2955 -10.2955 -10.2918 -10.2918 -7.7982 -7.7982 -7.7785 -7.7785 -7.7628 -7.7628 -7.7344 -7.7344 -7.7246 -7.7246 -7.7209 -7.7209 -6.5929 -6.5929 -6.3111 -6.3111 -3.9001 -3.9001 -3.6275 -3.6275 -0.5192 -0.5192 -0.4655 -0.4655 2.4302 2.4302 3.3526 3.3526 4.3391 4.3391 4.6718 4.6718 5.2787 5.2787 5.8310 5.8310 6.7133 6.7133 7.1910 7.1910 7.3325 7.3325 7.7969 7.7969 7.9460 7.9460 9.5355 9.5355 9.8534 9.8534 10.3128 10.3128 10.9263 10.9263 k = 0.4844 0.5716 0.2276 ( 5854 PWs) bands (ev): -10.3180 -10.3180 -10.3070 -10.3070 -10.2955 -10.2955 -10.2918 -10.2918 -7.7963 -7.7963 -7.7784 -7.7784 -7.7640 -7.7640 -7.7339 -7.7339 -7.7242 -7.7242 -7.7210 -7.7210 -6.6054 -6.6054 -6.2968 -6.2968 -3.8852 -3.8852 -3.6352 -3.6352 -0.5574 -0.5574 -0.4852 -0.4852 2.4629 2.4629 3.3422 3.3422 4.3178 4.3178 4.7498 4.7498 5.2245 5.2245 5.8425 5.8425 6.7192 6.7192 7.1903 7.1903 7.3908 7.3908 7.8405 7.8405 7.9707 7.9707 9.5436 9.5436 9.8440 9.8440 10.3082 10.3082 10.9244 10.9244 k = 0.4922 0.5808 0.2134 ( 5856 PWs) bands (ev): -10.3181 -10.3181 -10.3067 -10.3067 -10.2955 -10.2955 -10.2919 -10.2919 -7.7943 -7.7943 -7.7784 -7.7784 -7.7651 -7.7651 -7.7335 -7.7335 -7.7239 -7.7239 -7.7210 -7.7210 -6.6179 -6.6179 -6.2825 -6.2825 -3.8701 -3.8701 -3.6433 -3.6433 -0.5938 -0.5938 -0.5035 -0.5035 2.5000 2.5000 3.3322 3.3322 4.2969 4.2969 4.8288 4.8288 5.1620 5.1620 5.8507 5.8507 6.7195 6.7195 7.1732 7.1732 7.4575 7.4575 7.8844 7.8844 8.0121 8.0121 9.5462 9.5462 9.8375 9.8375 10.3039 10.3039 10.9159 10.9159 k = 0.5000 0.5900 0.1991 ( 5850 PWs) bands (ev): -10.3181 -10.3181 -10.3065 -10.3065 -10.2955 -10.2955 -10.2919 -10.2919 -7.7924 -7.7924 -7.7784 -7.7784 -7.7661 -7.7661 -7.7331 -7.7331 -7.7237 -7.7237 -7.7211 -7.7211 -6.6304 -6.6304 -6.2683 -6.2683 -3.8550 -3.8550 -3.6516 -3.6516 -0.6281 -0.6281 -0.5203 -0.5203 2.5411 2.5411 3.3228 3.3228 4.2764 4.2764 4.9065 4.9065 5.0942 5.0942 5.8560 5.8560 6.7160 6.7160 7.1465 7.1465 7.5253 7.5253 7.9242 7.9242 8.0703 8.0703 9.5398 9.5398 9.8362 9.8362 10.2998 10.2998 10.9030 10.9030 k = 0.5000 0.5900 0.1991 ( 5850 PWs) bands (ev): -10.3181 -10.3181 -10.3065 -10.3065 -10.2955 -10.2955 -10.2919 -10.2919 -7.7924 -7.7924 -7.7784 -7.7784 -7.7661 -7.7661 -7.7331 -7.7331 -7.7237 -7.7237 -7.7211 -7.7211 -6.6304 -6.6304 -6.2683 -6.2683 -3.8550 -3.8550 -3.6516 -3.6516 -0.6281 -0.6281 -0.5203 -0.5203 2.5411 2.5411 3.3228 3.3228 4.2764 4.2764 4.9065 4.9065 5.0942 5.0942 5.8560 5.8560 6.7160 6.7160 7.1465 7.1465 7.5253 7.5253 7.9242 7.9242 8.0703 8.0703 9.5398 9.5398 9.8362 9.8362 10.2998 10.2998 10.9030 10.9030 k = 0.5000 0.5900 0.1810 ( 5844 PWs) bands (ev): -10.3181 -10.3181 -10.3062 -10.3062 -10.2955 -10.2955 -10.2920 -10.2920 -7.7900 -7.7900 -7.7783 -7.7783 -7.7673 -7.7673 -7.7326 -7.7326 -7.7236 -7.7236 -7.7211 -7.7211 -6.6458 -6.6458 -6.2509 -6.2509 -3.8362 -3.8362 -3.6622 -3.6622 -0.6690 -0.6690 -0.5398 -0.5398 2.5981 2.5981 3.3116 3.3116 4.2517 4.2517 4.9614 4.9614 5.0432 5.0432 5.8609 5.8609 6.7093 6.7093 7.1080 7.1080 7.6105 7.6105 7.9683 7.9683 8.1590 8.1590 9.5185 9.5185 9.8412 9.8412 10.2958 10.2958 10.8844 10.8844 k = 0.5000 0.5900 0.1629 ( 5844 PWs) bands (ev): -10.3181 -10.3181 -10.3059 -10.3059 -10.2956 -10.2956 -10.2920 -10.2920 -7.7878 -7.7878 -7.7782 -7.7782 -7.7684 -7.7684 -7.7320 -7.7320 -7.7235 -7.7235 -7.7211 -7.7211 -6.6600 -6.6600 -6.2345 -6.2345 -3.8185 -3.8185 -3.6728 -3.6728 -0.7071 -0.7071 -0.5576 -0.5576 2.6598 2.6598 3.3018 3.3018 4.2292 4.2292 4.8765 4.8765 5.1237 5.1237 5.8656 5.8656 6.7010 6.7010 7.0689 7.0689 7.6956 7.6956 8.0077 8.0077 8.2548 8.2548 9.4859 9.4859 9.8500 9.8500 10.2939 10.2939 10.8649 10.8649 k = 0.5000 0.5900 0.1448 ( 5846 PWs) bands (ev): -10.3181 -10.3181 -10.3057 -10.3057 -10.2956 -10.2956 -10.2921 -10.2921 -7.7857 -7.7857 -7.7782 -7.7782 -7.7694 -7.7694 -7.7315 -7.7315 -7.7234 -7.7234 -7.7210 -7.7210 -6.6730 -6.6730 -6.2192 -6.2192 -3.8020 -3.8020 -3.6829 -3.6829 -0.7423 -0.7423 -0.5736 -0.5736 2.7252 2.7252 3.2936 3.2936 4.2090 4.2090 4.7708 4.7708 5.2185 5.2185 5.8701 5.8701 6.6908 6.6908 7.0302 7.0302 7.7795 7.7795 8.0433 8.0433 8.3541 8.3541 9.4439 9.4439 9.8605 9.8605 10.2947 10.2947 10.8449 10.8449 k = 0.5000 0.5900 0.1267 ( 5836 PWs) bands (ev): -10.3181 -10.3181 -10.3054 -10.3054 -10.2956 -10.2956 -10.2921 -10.2921 -7.7839 -7.7839 -7.7781 -7.7781 -7.7704 -7.7704 -7.7309 -7.7309 -7.7234 -7.7234 -7.7209 -7.7209 -6.6846 -6.6846 -6.2052 -6.2052 -3.7870 -3.7870 -3.6925 -3.6925 -0.7741 -0.7741 -0.5879 -0.5879 2.7931 2.7931 3.2873 3.2873 4.1910 4.1910 4.6622 4.6622 5.3110 5.3110 5.8743 5.8743 6.6783 6.6783 6.9929 6.9929 7.8608 7.8608 8.0757 8.0757 8.4536 8.4536 9.3950 9.3950 9.8710 9.8710 10.2983 10.2983 10.8247 10.8247 k = 0.5000 0.5900 0.1086 ( 5830 PWs) bands (ev): -10.3181 -10.3181 -10.3052 -10.3052 -10.2956 -10.2956 -10.2922 -10.2922 -7.7822 -7.7822 -7.7781 -7.7781 -7.7712 -7.7712 -7.7304 -7.7304 -7.7234 -7.7234 -7.7208 -7.7208 -6.6949 -6.6949 -6.1927 -6.1927 -3.7737 -3.7737 -3.7011 -3.7011 -0.8023 -0.8023 -0.6004 -0.6004 2.8619 2.8619 3.2834 3.2834 4.1754 4.1754 4.5544 4.5544 5.3987 5.3987 5.8783 5.8783 6.6630 6.6630 6.9585 6.9585 7.9376 7.9376 8.1053 8.1053 8.5505 8.5505 9.3415 9.3415 9.8801 9.8801 10.3048 10.3048 10.8048 10.8048 k = 0.5000 0.5900 0.0905 ( 5828 PWs) bands (ev): -10.3181 -10.3181 -10.3051 -10.3051 -10.2956 -10.2956 -10.2922 -10.2922 -7.7808 -7.7808 -7.7781 -7.7781 -7.7720 -7.7720 -7.7299 -7.7299 -7.7234 -7.7234 -7.7207 -7.7207 -6.7038 -6.7038 -6.1819 -6.1819 -3.7625 -3.7625 -3.7085 -3.7085 -0.8267 -0.8267 -0.6110 -0.6110 2.9289 2.9289 3.2827 3.2827 4.1619 4.1619 4.4504 4.4504 5.4796 5.4796 5.8822 5.8822 6.6448 6.6448 6.9283 6.9283 8.0073 8.0073 8.1334 8.1334 8.6419 8.6419 9.2858 9.2858 9.8868 9.8868 10.3137 10.3137 10.7856 10.7856 k = 0.5000 0.5900 0.0724 ( 5828 PWs) bands (ev): -10.3181 -10.3181 -10.3049 -10.3049 -10.2956 -10.2956 -10.2923 -10.2923 -7.7795 -7.7795 -7.7780 -7.7780 -7.7728 -7.7728 -7.7295 -7.7295 -7.7234 -7.7234 -7.7206 -7.7206 -6.7111 -6.7111 -6.1728 -6.1728 -3.7537 -3.7537 -3.7141 -3.7141 -0.8470 -0.8470 -0.6197 -0.6197 2.9909 2.9909 3.2861 3.2861 4.1506 4.1506 4.3537 4.3537 5.5517 5.5517 5.8860 5.8860 6.6242 6.6242 6.9033 6.9033 8.0655 8.0655 8.1622 8.1622 8.7254 8.7254 9.2302 9.2302 9.8911 9.8911 10.3240 10.3240 10.7681 10.7681 k = 0.5000 0.5900 0.0543 ( 5832 PWs) bands (ev): -10.3181 -10.3181 -10.3048 -10.3048 -10.2956 -10.2956 -10.2923 -10.2923 -7.7784 -7.7784 -7.7780 -7.7780 -7.7735 -7.7735 -7.7292 -7.7292 -7.7234 -7.7234 -7.7205 -7.7205 -6.7168 -6.7168 -6.1656 -6.1656 -3.7478 -3.7478 -3.7177 -3.7177 -0.8630 -0.8630 -0.6265 -0.6265 3.0431 3.0431 3.2947 3.2947 4.1409 4.1409 4.2687 4.2687 5.6121 5.6121 5.8897 5.8897 6.6030 6.6030 6.8843 6.8843 8.1071 8.1071 8.1941 8.1941 8.7983 8.7983 9.1772 9.1772 9.8933 9.8933 10.3344 10.3344 10.7532 10.7532 k = 0.5000 0.5900 0.0362 ( 5832 PWs) bands (ev): -10.3181 -10.3181 -10.3047 -10.3047 -10.2956 -10.2956 -10.2923 -10.2923 -7.7780 -7.7780 -7.7775 -7.7775 -7.7741 -7.7741 -7.7289 -7.7289 -7.7234 -7.7234 -7.7205 -7.7205 -6.7209 -6.7209 -6.1604 -6.1604 -3.7447 -3.7447 -3.7190 -3.7190 -0.8745 -0.8745 -0.6314 -0.6314 3.0814 3.0814 3.3078 3.3078 4.1318 4.1318 4.2023 4.2023 5.6581 5.6581 5.8932 5.8932 6.5840 6.5840 6.8711 6.8711 8.1316 8.1316 8.2261 8.2261 8.8581 8.8581 9.1302 9.1302 9.8940 9.8940 10.3434 10.3434 10.7419 10.7419 k = 0.5000 0.5900 0.0181 ( 5820 PWs) bands (ev): -10.3181 -10.3181 -10.3047 -10.3047 -10.2956 -10.2956 -10.2923 -10.2923 -7.7780 -7.7780 -7.7767 -7.7767 -7.7747 -7.7747 -7.7288 -7.7288 -7.7234 -7.7234 -7.7204 -7.7204 -6.7234 -6.7234 -6.1573 -6.1573 -3.7437 -3.7437 -3.7190 -3.7190 -0.8815 -0.8815 -0.6343 -0.6343 3.1036 3.1036 3.3206 3.3206 4.1204 4.1204 4.1639 4.1639 5.6869 5.6869 5.8959 5.8959 6.5706 6.5706 6.8634 6.8634 8.1439 8.1439 8.2498 8.2498 8.9010 8.9010 9.0941 9.0941 9.8941 9.8941 10.3495 10.3495 10.7348 10.7348 k = 0.5000 0.5900-0.0000 ( 5804 PWs) bands (ev): -10.3181 -10.3181 -10.3046 -10.3046 -10.2956 -10.2956 -10.2923 -10.2923 -7.7780 -7.7780 -7.7764 -7.7764 -7.7750 -7.7750 -7.7287 -7.7287 -7.7234 -7.7234 -7.7204 -7.7204 -6.7242 -6.7242 -6.1562 -6.1562 -3.7435 -3.7435 -3.7189 -3.7189 -0.8838 -0.8838 -0.6353 -0.6353 3.1107 3.1107 3.3261 3.3261 4.1129 4.1129 4.1539 4.1539 5.6967 5.6967 5.8969 5.8969 6.5658 6.5658 6.8609 6.8609 8.1477 8.1477 8.2584 8.2584 8.9179 8.9179 9.0792 9.0792 9.8940 9.8940 10.3516 10.3516 10.7324 10.7324 k = 0.0000 0.0000 0.6554 ( 5834 PWs) bands (ev): -10.3181 -10.3181 -10.3127 -10.3127 -10.2949 -10.2949 -10.2916 -10.2916 -7.8422 -7.8422 -7.7799 -7.7799 -7.7380 -7.7380 -7.7357 -7.7357 -7.7275 -7.7275 -7.7163 -7.7163 -6.6248 -6.6248 -6.2329 -6.2329 -4.2100 -4.2100 -3.6317 -3.6317 0.0732 0.0732 0.2989 0.2989 3.0489 3.0489 3.0695 3.0695 3.6474 3.6474 3.6705 3.6705 5.2890 5.2890 5.6604 5.6604 5.9020 5.9020 6.7920 6.7920 6.9030 6.9030 7.7780 7.7780 8.8526 8.8526 9.2498 9.2498 10.0765 10.0765 10.1962 10.1962 10.4336 10.4336 k = 0.0119 0.0140 0.6554 ( 5830 PWs) bands (ev): -10.3180 -10.3180 -10.3127 -10.3127 -10.2949 -10.2949 -10.2916 -10.2916 -7.8421 -7.8421 -7.7799 -7.7799 -7.7380 -7.7380 -7.7357 -7.7357 -7.7277 -7.7277 -7.7163 -7.7163 -6.6242 -6.6242 -6.2335 -6.2335 -4.2093 -4.2093 -3.6327 -3.6327 0.0736 0.0736 0.2987 0.2987 3.0468 3.0468 3.0734 3.0734 3.6499 3.6499 3.6708 3.6708 5.2900 5.2900 5.6559 5.6559 5.8973 5.8973 6.7907 6.7907 6.9015 6.9015 7.7750 7.7750 8.8577 8.8577 9.2551 9.2551 10.0807 10.0807 10.1973 10.1973 10.4334 10.4334 k = 0.0238 0.0281 0.6554 ( 5838 PWs) bands (ev): -10.3180 -10.3180 -10.3127 -10.3127 -10.2949 -10.2949 -10.2916 -10.2916 -7.8418 -7.8418 -7.7798 -7.7798 -7.7379 -7.7379 -7.7358 -7.7358 -7.7281 -7.7281 -7.7164 -7.7164 -6.6226 -6.6226 -6.2351 -6.2351 -4.2073 -4.2073 -3.6356 -3.6356 0.0749 0.0749 0.2979 0.2979 3.0432 3.0432 3.0826 3.0826 3.6575 3.6575 3.6719 3.6719 5.2930 5.2930 5.6422 5.6422 5.8833 5.8833 6.7861 6.7861 6.8979 6.8979 7.7662 7.7662 8.8728 8.8728 9.2708 9.2708 10.0928 10.0928 10.2010 10.2010 10.4332 10.4332 k = 0.0357 0.0421 0.6554 ( 5832 PWs) bands (ev): -10.3179 -10.3179 -10.3127 -10.3127 -10.2949 -10.2949 -10.2916 -10.2916 -7.8412 -7.8412 -7.7797 -7.7797 -7.7378 -7.7378 -7.7361 -7.7361 -7.7289 -7.7289 -7.7166 -7.7166 -6.6198 -6.6198 -6.2378 -6.2378 -4.2039 -4.2039 -3.6405 -3.6405 0.0770 0.0770 0.2967 0.2967 3.0403 3.0403 3.0945 3.0945 3.6695 3.6695 3.6745 3.6745 5.2979 5.2979 5.6197 5.6197 5.8608 5.8608 6.7762 6.7762 6.8944 6.8944 7.7519 7.7519 8.8973 8.8973 9.2964 9.2964 10.1117 10.1117 10.2082 10.2082 10.4328 10.4328 k = 0.0476 0.0562 0.6554 ( 5840 PWs) bands (ev): -10.3179 -10.3179 -10.3127 -10.3127 -10.2948 -10.2948 -10.2917 -10.2917 -7.8404 -7.8404 -7.7796 -7.7796 -7.7376 -7.7376 -7.7364 -7.7364 -7.7299 -7.7299 -7.7168 -7.7168 -6.6159 -6.6159 -6.2416 -6.2416 -4.1992 -4.1992 -3.6472 -3.6472 0.0800 0.0800 0.2950 0.2950 3.0387 3.0387 3.1082 3.1082 3.6761 3.6761 3.6887 3.6887 5.3043 5.3043 5.5887 5.5887 5.8306 5.8306 6.7587 6.7587 6.8935 6.8935 7.7328 7.7328 8.9304 8.9304 9.3312 9.3312 10.1343 10.1343 10.2209 10.2209 10.4325 10.4325 k = 0.0595 0.0702 0.6554 ( 5840 PWs) bands (ev): -10.3178 -10.3178 -10.3128 -10.3128 -10.2948 -10.2948 -10.2917 -10.2917 -7.8394 -7.8394 -7.7795 -7.7795 -7.7374 -7.7374 -7.7368 -7.7368 -7.7312 -7.7312 -7.7171 -7.7171 -6.6109 -6.6109 -6.2465 -6.2465 -4.1932 -4.1932 -3.6558 -3.6558 0.0837 0.0837 0.2929 0.2929 3.0387 3.0387 3.1233 3.1233 3.6806 3.6806 3.7112 3.7112 5.3117 5.3117 5.5499 5.5499 5.7939 5.7939 6.7328 6.7328 6.8964 6.8964 7.7096 7.7096 8.9711 8.9711 9.3739 9.3739 10.1561 10.1561 10.2429 10.2429 10.4328 10.4328 k = 0.0714 0.0843 0.6554 ( 5848 PWs) bands (ev): -10.3176 -10.3176 -10.3128 -10.3128 -10.2948 -10.2948 -10.2918 -10.2918 -7.8381 -7.8381 -7.7793 -7.7793 -7.7374 -7.7374 -7.7372 -7.7372 -7.7327 -7.7327 -7.7174 -7.7174 -6.6049 -6.6049 -6.2523 -6.2523 -4.1858 -4.1858 -3.6661 -3.6661 0.0881 0.0881 0.2902 0.2902 3.0402 3.0402 3.1392 3.1392 3.6870 3.6870 3.7388 3.7388 5.3186 5.3186 5.5044 5.5044 5.7523 5.7523 6.6992 6.6992 6.9032 6.9032 7.6829 7.6829 9.0183 9.0183 9.4235 9.4235 10.1732 10.1732 10.2761 10.2761 10.4348 10.4348 k = 0.0833 0.0983 0.6554 ( 5848 PWs) bands (ev): -10.3175 -10.3175 -10.3128 -10.3128 -10.2947 -10.2947 -10.2919 -10.2919 -7.8366 -7.8366 -7.7792 -7.7792 -7.7380 -7.7380 -7.7372 -7.7372 -7.7342 -7.7342 -7.7178 -7.7178 -6.5980 -6.5980 -6.2592 -6.2592 -4.1772 -4.1772 -3.6780 -3.6780 0.0933 0.0933 0.2871 0.2871 3.0431 3.0431 3.1554 3.1554 3.6958 3.6958 3.7712 3.7712 5.3221 5.3221 5.4552 5.4552 5.7075 5.7075 6.6592 6.6592 6.9129 6.9129 7.6535 7.6535 9.0710 9.0710 9.4786 9.4786 10.1859 10.1859 10.3163 10.3163 10.4416 10.4416 k = 0.0952 0.1124 0.6554 ( 5852 PWs) bands (ev): -10.3173 -10.3173 -10.3129 -10.3129 -10.2947 -10.2947 -10.2919 -10.2919 -7.8349 -7.8349 -7.7792 -7.7792 -7.7387 -7.7387 -7.7378 -7.7378 -7.7351 -7.7351 -7.7183 -7.7183 -6.5900 -6.5900 -6.2669 -6.2669 -4.1674 -4.1674 -3.6914 -3.6914 0.0990 0.0990 0.2836 0.2836 3.0474 3.0474 3.1712 3.1712 3.7078 3.7078 3.8082 3.8082 5.3132 5.3132 5.4100 5.4100 5.6623 5.6623 6.6142 6.6142 6.9249 6.9249 7.6220 7.6220 9.1282 9.1282 9.5375 9.5375 10.1962 10.1962 10.3527 10.3527 10.4608 10.4608 k = 0.1071 0.1264 0.6554 ( 5840 PWs) bands (ev): -10.3171 -10.3171 -10.3129 -10.3129 -10.2946 -10.2946 -10.2920 -10.2920 -7.8331 -7.8331 -7.7792 -7.7792 -7.7397 -7.7397 -7.7391 -7.7391 -7.7352 -7.7352 -7.7188 -7.7188 -6.5812 -6.5812 -6.2756 -6.2756 -4.1563 -4.1563 -3.7063 -3.7063 0.1053 0.1053 0.2796 0.2796 3.0530 3.0530 3.1859 3.1859 3.7237 3.7237 3.8496 3.8496 5.2765 5.2765 5.3813 5.3813 5.6210 5.6210 6.5652 6.5652 6.9387 6.9387 7.5889 7.5889 9.1888 9.1888 9.5987 9.5987 10.2055 10.2055 10.3732 10.3732 10.5021 10.5021 k = 0.1190 0.1405 0.6554 ( 5840 PWs) bands (ev): -10.3170 -10.3170 -10.3130 -10.3130 -10.2946 -10.2946 -10.2921 -10.2921 -7.8310 -7.8310 -7.7793 -7.7793 -7.7414 -7.7414 -7.7400 -7.7400 -7.7348 -7.7348 -7.7194 -7.7194 -6.5715 -6.5715 -6.2851 -6.2851 -4.1440 -4.1440 -3.7225 -3.7225 0.1122 0.1122 0.2751 0.2751 3.0598 3.0598 3.1989 3.1989 3.7442 3.7442 3.8954 3.8954 5.2157 5.2157 5.3603 5.3603 5.5902 5.5902 6.5134 6.5134 6.9540 6.9540 7.5548 7.5548 9.2521 9.2521 9.6604 9.6604 10.2145 10.2145 10.3799 10.3799 10.5615 10.5615 k = 0.1310 0.1545 0.6554 ( 5840 PWs) bands (ev): -10.3167 -10.3167 -10.3131 -10.3131 -10.2945 -10.2945 -10.2922 -10.2922 -7.8287 -7.8287 -7.7796 -7.7796 -7.7434 -7.7434 -7.7409 -7.7409 -7.7344 -7.7344 -7.7200 -7.7200 -6.5610 -6.5610 -6.2955 -6.2955 -4.1306 -4.1306 -3.7399 -3.7399 0.1194 0.1194 0.2703 0.2703 3.0676 3.0676 3.2096 3.2096 3.7700 3.7700 3.9452 3.9452 5.1437 5.1437 5.3289 5.3289 5.5763 5.5763 6.4593 6.4593 6.9705 6.9705 7.5201 7.5201 9.3172 9.3172 9.7211 9.7211 10.2234 10.2234 10.3800 10.3800 10.6297 10.6297 k = 0.1429 0.1686 0.6554 ( 5850 PWs) bands (ev): -10.3165 -10.3165 -10.3132 -10.3132 -10.2945 -10.2945 -10.2924 -10.2924 -7.8263 -7.8263 -7.7800 -7.7800 -7.7453 -7.7453 -7.7418 -7.7418 -7.7338 -7.7338 -7.7206 -7.7206 -6.5498 -6.5498 -6.3065 -6.3065 -4.1161 -4.1161 -3.7583 -3.7583 0.1270 0.1270 0.2650 0.2650 3.0764 3.0764 3.2176 3.2176 3.8014 3.8014 3.9990 3.9990 5.0663 5.0663 5.2821 5.2821 5.5799 5.5799 6.4037 6.4037 6.9881 6.9881 7.4851 7.4851 9.3833 9.3833 9.7786 9.7786 10.2323 10.2323 10.3771 10.3771 10.7009 10.7009 k = 0.1548 0.1826 0.6554 ( 5840 PWs) bands (ev): -10.3163 -10.3163 -10.3133 -10.3133 -10.2944 -10.2944 -10.2925 -10.2925 -7.8236 -7.8236 -7.7808 -7.7808 -7.7471 -7.7471 -7.7428 -7.7428 -7.7333 -7.7333 -7.7213 -7.7213 -6.5380 -6.5380 -6.3182 -6.3182 -4.1006 -4.1006 -3.7776 -3.7776 0.1350 0.1350 0.2593 0.2593 3.0861 3.0861 3.2226 3.2226 3.8386 3.8386 4.0563 4.0563 4.9856 4.9856 5.2234 5.2234 5.5965 5.5965 6.3473 6.3473 7.0067 7.0067 7.4501 7.4501 9.4497 9.4497 9.8312 9.8312 10.2413 10.2413 10.3724 10.3724 10.7707 10.7707 k = 0.1667 0.1967 0.6554 ( 5856 PWs) bands (ev): -10.3161 -10.3161 -10.3134 -10.3134 -10.2943 -10.2943 -10.2926 -10.2926 -7.8209 -7.8209 -7.7819 -7.7819 -7.7486 -7.7486 -7.7438 -7.7438 -7.7326 -7.7326 -7.7220 -7.7220 -6.5255 -6.5255 -6.3306 -6.3306 -4.0841 -4.0841 -3.7976 -3.7976 0.1431 0.1431 0.2533 0.2533 3.0965 3.0965 3.2246 3.2246 3.8817 3.8817 4.1170 4.1170 4.9030 4.9030 5.1572 5.1572 5.6217 5.6217 6.2903 6.2903 7.0264 7.0264 7.4154 7.4154 9.5157 9.5157 9.8767 9.8767 10.2505 10.2505 10.3665 10.3665 10.8343 10.8343 k = 0.1786 0.2107 0.6554 ( 5840 PWs) bands (ev): -10.3159 -10.3159 -10.3135 -10.3135 -10.2942 -10.2942 -10.2927 -10.2927 -7.8180 -7.8180 -7.7834 -7.7834 -7.7498 -7.7498 -7.7448 -7.7448 -7.7319 -7.7319 -7.7227 -7.7227 -6.5125 -6.5125 -6.3434 -6.3434 -4.0667 -4.0667 -3.8182 -3.8182 0.1515 0.1515 0.2468 0.2468 3.1075 3.1075 3.2238 3.2238 3.9305 3.9305 4.1806 4.1806 4.8196 4.8196 5.0862 5.0862 5.6527 5.6527 6.2334 6.2334 7.0472 7.0472 7.3813 7.3813 9.5804 9.5804 9.9134 9.9134 10.2597 10.2597 10.3598 10.3598 10.8866 10.8866 k = 0.1905 0.2248 0.6554 ( 5840 PWs) bands (ev): -10.3156 -10.3156 -10.3136 -10.3136 -10.2941 -10.2941 -10.2929 -10.2929 -7.8150 -7.8150 -7.7853 -7.7853 -7.7506 -7.7506 -7.7458 -7.7458 -7.7312 -7.7312 -7.7235 -7.7235 -6.4991 -6.4991 -6.3568 -6.3568 -4.0484 -4.0484 -3.8393 -3.8393 0.1599 0.1599 0.2401 0.2401 3.1190 3.1190 3.2205 3.2205 3.9846 3.9846 4.2468 4.2468 4.7363 4.7363 5.0120 5.0120 5.6880 5.6880 6.1768 6.1768 7.0690 7.0690 7.3478 7.3478 9.6432 9.6432 9.9395 9.9395 10.2689 10.2689 10.3524 10.3524 10.9247 10.9247 k = 0.2024 0.2388 0.6554 ( 5840 PWs) bands (ev): -10.3154 -10.3154 -10.3138 -10.3138 -10.2940 -10.2940 -10.2930 -10.2930 -7.8119 -7.8119 -7.7875 -7.7875 -7.7511 -7.7511 -7.7468 -7.7468 -7.7305 -7.7305 -7.7242 -7.7242 -6.4853 -6.4853 -6.3705 -6.3705 -4.0294 -4.0294 -3.8608 -3.8608 0.1684 0.1684 0.2330 0.2330 3.1308 3.1308 3.2150 3.2150 4.0436 4.0436 4.3145 4.3145 4.6544 4.6544 4.9359 4.9359 5.7269 5.7269 6.1208 6.1208 7.0918 7.0918 7.3152 7.3152 9.7032 9.7032 9.9539 9.9539 10.2781 10.2781 10.3447 10.3447 10.9519 10.9519 k = 0.2143 0.2529 0.6554 ( 5840 PWs) bands (ev): -10.3152 -10.3152 -10.3140 -10.3140 -10.2939 -10.2939 -10.2931 -10.2931 -7.8087 -7.8087 -7.7901 -7.7901 -7.7512 -7.7512 -7.7477 -7.7477 -7.7298 -7.7298 -7.7250 -7.7250 -6.4711 -6.4711 -6.3845 -6.3845 -4.0097 -4.0097 -3.8824 -3.8824 0.1769 0.1769 0.2256 0.2256 3.1428 3.1428 3.2077 3.2077 4.1069 4.1069 4.3809 4.3809 4.5769 4.5769 4.8587 4.8587 5.7688 5.7688 6.0658 6.0658 7.1158 7.1158 7.2835 7.2835 9.7595 9.7595 9.9562 9.9562 10.2871 10.2871 10.3368 10.3368 10.9741 10.9741 k = 0.2262 0.2669 0.6554 ( 5830 PWs) bands (ev): -10.3149 -10.3149 -10.3141 -10.3141 -10.2938 -10.2938 -10.2933 -10.2933 -7.8055 -7.8055 -7.7929 -7.7929 -7.7511 -7.7511 -7.7486 -7.7486 -7.7290 -7.7290 -7.7258 -7.7258 -6.4568 -6.4568 -6.3988 -6.3988 -3.9894 -3.9894 -3.9041 -3.9041 0.1854 0.1854 0.2180 0.2180 3.1549 3.1549 3.1989 3.1989 4.1741 4.1741 4.4260 4.4260 4.5241 4.5241 4.7812 4.7812 5.8132 5.8132 6.0120 6.0120 7.1409 7.1409 7.2528 7.2528 9.8111 9.8111 9.9466 9.9466 10.2959 10.2959 10.3288 10.3288 10.9953 10.9953 k = 0.2381 0.2810 0.6554 ( 5830 PWs) bands (ev): -10.3147 -10.3147 -10.3143 -10.3143 -10.2936 -10.2936 -10.2934 -10.2934 -7.8022 -7.8022 -7.7959 -7.7959 -7.7507 -7.7507 -7.7494 -7.7494 -7.7282 -7.7282 -7.7266 -7.7266 -6.4423 -6.4423 -6.4133 -6.4133 -3.9686 -3.9686 -3.9258 -3.9258 0.1938 0.1938 0.2101 0.2101 3.1667 3.1667 3.1889 3.1889 4.2445 4.2445 4.3872 4.3872 4.5588 4.5588 4.7041 4.7041 5.8600 5.8600 5.9596 5.9596 7.1671 7.1671 7.2231 7.2231 9.8569 9.8569 9.9260 9.9260 10.3043 10.3043 10.3208 10.3208 11.0165 11.0165 k = 0.2500 0.2950 0.6554 ( 5836 PWs) bands (ev): -10.3145 -10.3145 -10.3145 -10.3145 -10.2935 -10.2935 -10.2935 -10.2935 -7.7990 -7.7990 -7.7990 -7.7990 -7.7501 -7.7501 -7.7501 -7.7501 -7.7274 -7.7274 -7.7274 -7.7274 -6.4279 -6.4279 -6.4277 -6.4277 -3.9474 -3.9474 -3.9473 -3.9473 0.2020 0.2020 0.2021 0.2021 3.1780 3.1780 3.1782 3.1782 4.3167 4.3167 4.3169 4.3169 4.6286 4.6286 4.6288 4.6288 5.9088 5.9088 5.9089 5.9089 7.1945 7.1945 7.1946 7.1946 9.8956 9.8956 9.8957 9.8957 10.3126 10.3126 10.3127 10.3127 11.0371 11.0371 Writing output data file PbSe2.save init_run : 0.20s CPU 0.32s WALL ( 1 calls) electrons : 185.14s CPU 187.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 185.14s CPU 187.53s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 286 calls) cegterg : 169.38s CPU 171.26s WALL ( 317 calls) Called by sum_band: Called by *egterg: h_psi : 110.08s CPU 111.31s WALL ( 5844 calls) s_psi : 4.02s CPU 4.06s WALL ( 5844 calls) g_psi : 0.32s CPU 0.29s WALL ( 5241 calls) cdiaghg : 47.83s CPU 48.40s WALL ( 5527 calls) cegterg:over : 7.75s CPU 7.79s WALL ( 5241 calls) cegterg:upda : 6.58s CPU 6.72s WALL ( 5241 calls) cegterg:last : 3.46s CPU 3.53s WALL ( 889 calls) cdiaghg:chol : 2.60s CPU 2.76s WALL ( 5527 calls) cdiaghg:inve : 2.04s CPU 1.93s WALL ( 5527 calls) cdiaghg:para : 2.89s CPU 3.08s WALL ( 11054 calls) Called by h_psi: h_psi:vloc : 100.03s CPU 101.40s WALL ( 5844 calls) h_psi:vnl : 9.74s CPU 9.61s WALL ( 5844 calls) add_vuspsi : 4.61s CPU 4.70s WALL ( 5844 calls) General routines calbec : 5.10s CPU 4.90s WALL ( 5844 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 95.05s CPU 96.38s WALL ( 710000 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.27s WALL ( 572 calls) Parallel routines fft_scatter : 31.96s CPU 32.61s WALL ( 710023 calls) PWSCF : 3m24.99s CPU 3m45.08s WALL This run was terminated on: 21: 9: 0 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=