Program PWSCF v.5.1.1 starts on 19Jul2015 at 11:31:29 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./GaAs.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 14 4 398 246 41 Max 20 15 5 403 258 44 Sum 955 685 211 19195 12039 1989 bravais-lattice index = 14 lattice parameter (alat) = 7.5524 a.u. unit-cell volume = 304.6092 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.552418 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Ga 13.00 69.72300 Ga( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 372 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0089286 -0.0051549 0.0072901), wk = 0.0026882 k( 3) = ( 0.0178571 -0.0103098 0.0145803), wk = 0.0026882 k( 4) = ( 0.0267857 -0.0154647 0.0218704), wk = 0.0026882 k( 5) = ( 0.0357143 -0.0206197 0.0291606), wk = 0.0026882 k( 6) = ( 0.0446429 -0.0257746 0.0364507), wk = 0.0026882 k( 7) = ( 0.0535714 -0.0309295 0.0437409), wk = 0.0026882 k( 8) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0026882 k( 9) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0026882 k( 10) = ( 0.0803571 -0.0463942 0.0656113), wk = 0.0026882 k( 11) = ( 0.0892857 -0.0515491 0.0729015), wk = 0.0026882 k( 12) = ( 0.0982143 -0.0567040 0.0801916), wk = 0.0026882 k( 13) = ( 0.1071429 -0.0618590 0.0874818), wk = 0.0026882 k( 14) = ( 0.1160714 -0.0670139 0.0947719), wk = 0.0026882 k( 15) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0026882 k( 16) = ( 0.1339286 -0.0773237 0.1093522), wk = 0.0026882 k( 17) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0026882 k( 18) = ( 0.1517857 -0.0876335 0.1239325), wk = 0.0026882 k( 19) = ( 0.1607143 -0.0927884 0.1312227), wk = 0.0026882 k( 20) = ( 0.1696429 -0.0979434 0.1385128), wk = 0.0026882 k( 21) = ( 0.1785714 -0.1030983 0.1458030), wk = 0.0026882 k( 22) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0026882 k( 23) = ( 0.1964286 -0.1134081 0.1603833), wk = 0.0026882 k( 24) = ( 0.2053571 -0.1185630 0.1676734), wk = 0.0026882 k( 25) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0026882 k( 26) = ( 0.2232143 -0.1288728 0.1822537), wk = 0.0026882 k( 27) = ( 0.2321429 -0.1340277 0.1895439), wk = 0.0026882 k( 28) = ( 0.2410714 -0.1391827 0.1968340), wk = 0.0026882 k( 29) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0026882 k( 30) = ( 0.2589286 -0.1494925 0.2114143), wk = 0.0026882 k( 31) = ( 0.2678571 -0.1546474 0.2187044), wk = 0.0026882 k( 32) = ( 0.2767857 -0.1598023 0.2259946), wk = 0.0026882 k( 33) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0026882 k( 34) = ( 0.2946429 -0.1701121 0.2405749), wk = 0.0026882 k( 35) = ( 0.3035714 -0.1752670 0.2478650), wk = 0.0026882 k( 36) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0026882 k( 37) = ( 0.3214286 -0.1855769 0.2624453), wk = 0.0026882 k( 38) = ( 0.3303571 -0.1907318 0.2697355), wk = 0.0026882 k( 39) = ( 0.3392857 -0.1958867 0.2770256), wk = 0.0026882 k( 40) = ( 0.3482143 -0.2010416 0.2843158), wk = 0.0026882 k( 41) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0026882 k( 42) = ( 0.3660714 -0.2113514 0.2988961), wk = 0.0026882 k( 43) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0026882 k( 44) = ( 0.3839286 -0.2216613 0.3134764), wk = 0.0026882 k( 45) = ( 0.3928571 -0.2268162 0.3207665), wk = 0.0026882 k( 46) = ( 0.4017857 -0.2319711 0.3280567), wk = 0.0026882 k( 47) = ( 0.4107143 -0.2371260 0.3353468), wk = 0.0026882 k( 48) = ( 0.4196429 -0.2422809 0.3426370), wk = 0.0026882 k( 49) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0026882 k( 50) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0026882 k( 51) = ( 0.4464286 -0.2577457 0.3645074), wk = 0.0026882 k( 52) = ( 0.4553571 -0.2629006 0.3717975), wk = 0.0026882 k( 53) = ( 0.4642857 -0.2680555 0.3790877), wk = 0.0026882 k( 54) = ( 0.4732143 -0.2732104 0.3863778), wk = 0.0026882 k( 55) = ( 0.4821429 -0.2783653 0.3936680), wk = 0.0026882 k( 56) = ( 0.4910714 -0.2835202 0.4009581), wk = 0.0026882 k( 57) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 k( 58) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 k( 59) = ( 0.5000000 -0.2783653 0.4155384), wk = 0.0026882 k( 60) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0026882 k( 61) = ( 0.5000000 -0.2577457 0.4301187), wk = 0.0026882 k( 62) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0026882 k( 63) = ( 0.5000000 -0.2371260 0.4446990), wk = 0.0026882 k( 64) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0026882 k( 65) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0026882 k( 66) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0026882 k( 67) = ( 0.5000000 -0.1958867 0.4738596), wk = 0.0026882 k( 68) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0026882 k( 69) = ( 0.5000000 -0.1752670 0.4884399), wk = 0.0026882 k( 70) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0026882 k( 71) = ( 0.5000000 -0.1546474 0.5030202), wk = 0.0026882 k( 72) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0026882 k( 73) = ( 0.5000000 -0.1340277 0.5176005), wk = 0.0026882 k( 74) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0026882 k( 75) = ( 0.5000000 -0.1134081 0.5321808), wk = 0.0026882 k( 76) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0026882 k( 77) = ( 0.5000000 -0.0927884 0.5467611), wk = 0.0026882 k( 78) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0026882 k( 79) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0026882 k( 80) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0026882 k( 81) = ( 0.5000000 -0.0515491 0.5759217), wk = 0.0026882 k( 82) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0026882 k( 83) = ( 0.5000000 -0.0309295 0.5905020), wk = 0.0026882 k( 84) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0026882 k( 85) = ( 0.5000000 -0.0103098 0.6050823), wk = 0.0026882 k( 86) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026882 k( 87) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026882 k( 88) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0026882 k( 89) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0026882 k( 90) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0026882 k( 91) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0026882 k( 92) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0026882 k( 93) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0026882 k( 94) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0026882 k( 95) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0026882 k( 96) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0026882 k( 97) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0026882 k( 98) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0026882 k( 99) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0026882 k( 100) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0026882 k( 101) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0026882 k( 102) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0026882 k( 103) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0026882 k( 104) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0026882 k( 105) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0026882 k( 106) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0026882 k( 107) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 108) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 109) = ( 0.3686441 0.2128368 0.6019932), wk = 0.0026882 k( 110) = ( 0.3622881 0.2091672 0.5916140), wk = 0.0026882 k( 111) = ( 0.3559322 0.2054976 0.5812349), wk = 0.0026882 k( 112) = ( 0.3495763 0.2018280 0.5708557), wk = 0.0026882 k( 113) = ( 0.3432203 0.1981584 0.5604765), wk = 0.0026882 k( 114) = ( 0.3368644 0.1944888 0.5500973), wk = 0.0026882 k( 115) = ( 0.3305085 0.1908192 0.5397181), wk = 0.0026882 k( 116) = ( 0.3241525 0.1871496 0.5293389), wk = 0.0026882 k( 117) = ( 0.3177966 0.1834800 0.5189597), wk = 0.0026882 k( 118) = ( 0.3114407 0.1798104 0.5085805), wk = 0.0026882 k( 119) = ( 0.3050848 0.1761408 0.4982013), wk = 0.0026882 k( 120) = ( 0.2987288 0.1724712 0.4878221), wk = 0.0026882 k( 121) = ( 0.2923729 0.1688016 0.4774429), wk = 0.0026882 k( 122) = ( 0.2860169 0.1651320 0.4670637), wk = 0.0026882 k( 123) = ( 0.2796610 0.1614624 0.4566845), wk = 0.0026882 k( 124) = ( 0.2733051 0.1577928 0.4463053), wk = 0.0026882 k( 125) = ( 0.2669492 0.1541232 0.4359261), wk = 0.0026882 k( 126) = ( 0.2605932 0.1504536 0.4255469), wk = 0.0026882 k( 127) = ( 0.2542373 0.1467840 0.4151678), wk = 0.0026882 k( 128) = ( 0.2478814 0.1431144 0.4047886), wk = 0.0026882 k( 129) = ( 0.2415254 0.1394448 0.3944094), wk = 0.0026882 k( 130) = ( 0.2351695 0.1357752 0.3840302), wk = 0.0026882 k( 131) = ( 0.2288136 0.1321056 0.3736510), wk = 0.0026882 k( 132) = ( 0.2224576 0.1284360 0.3632718), wk = 0.0026882 k( 133) = ( 0.2161017 0.1247664 0.3528926), wk = 0.0026882 k( 134) = ( 0.2097458 0.1210968 0.3425134), wk = 0.0026882 k( 135) = ( 0.2033898 0.1174272 0.3321342), wk = 0.0026882 k( 136) = ( 0.1970339 0.1137576 0.3217550), wk = 0.0026882 k( 137) = ( 0.1906780 0.1100880 0.3113758), wk = 0.0026882 k( 138) = ( 0.1843220 0.1064184 0.3009966), wk = 0.0026882 k( 139) = ( 0.1779661 0.1027488 0.2906174), wk = 0.0026882 k( 140) = ( 0.1716102 0.0990792 0.2802382), wk = 0.0026882 k( 141) = ( 0.1652542 0.0954096 0.2698590), wk = 0.0026882 k( 142) = ( 0.1588983 0.0917400 0.2594798), wk = 0.0026882 k( 143) = ( 0.1525424 0.0880704 0.2491007), wk = 0.0026882 k( 144) = ( 0.1461864 0.0844008 0.2387215), wk = 0.0026882 k( 145) = ( 0.1398305 0.0807312 0.2283423), wk = 0.0026882 k( 146) = ( 0.1334746 0.0770616 0.2179631), wk = 0.0026882 k( 147) = ( 0.1271186 0.0733920 0.2075839), wk = 0.0026882 k( 148) = ( 0.1207627 0.0697224 0.1972047), wk = 0.0026882 k( 149) = ( 0.1144068 0.0660528 0.1868255), wk = 0.0026882 k( 150) = ( 0.1080509 0.0623832 0.1764463), wk = 0.0026882 k( 151) = ( 0.1016949 0.0587136 0.1660671), wk = 0.0026882 k( 152) = ( 0.0953390 0.0550440 0.1556879), wk = 0.0026882 k( 153) = ( 0.0889830 0.0513744 0.1453087), wk = 0.0026882 k( 154) = ( 0.0826271 0.0477048 0.1349295), wk = 0.0026882 k( 155) = ( 0.0762712 0.0440352 0.1245503), wk = 0.0026882 k( 156) = ( 0.0699152 0.0403656 0.1141711), wk = 0.0026882 k( 157) = ( 0.0635593 0.0366960 0.1037919), wk = 0.0026882 k( 158) = ( 0.0572034 0.0330264 0.0934127), wk = 0.0026882 k( 159) = ( 0.0508475 0.0293568 0.0830336), wk = 0.0026882 k( 160) = ( 0.0444915 0.0256872 0.0726544), wk = 0.0026882 k( 161) = ( 0.0381356 0.0220176 0.0622752), wk = 0.0026882 k( 162) = ( 0.0317797 0.0183480 0.0518960), wk = 0.0026882 k( 163) = ( 0.0254237 0.0146784 0.0415168), wk = 0.0026882 k( 164) = ( 0.0190678 0.0110088 0.0311376), wk = 0.0026882 k( 165) = ( 0.0127119 0.0073392 0.0207584), wk = 0.0026882 k( 166) = ( 0.0063559 0.0036696 0.0103792), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 169) = ( 0.0102041 0.0058913 0.0041658), wk = 0.0026882 k( 170) = ( 0.0204082 0.0117827 0.0083316), wk = 0.0026882 k( 171) = ( 0.0306122 0.0176740 0.0124974), wk = 0.0026882 k( 172) = ( 0.0408163 0.0235653 0.0166632), wk = 0.0026882 k( 173) = ( 0.0510204 0.0294566 0.0208290), wk = 0.0026882 k( 174) = ( 0.0612245 0.0353480 0.0249948), wk = 0.0026882 k( 175) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0026882 k( 176) = ( 0.0816327 0.0471306 0.0333264), wk = 0.0026882 k( 177) = ( 0.0918367 0.0530220 0.0374922), wk = 0.0026882 k( 178) = ( 0.1020408 0.0589133 0.0416580), wk = 0.0026882 k( 179) = ( 0.1122449 0.0648046 0.0458238), wk = 0.0026882 k( 180) = ( 0.1224490 0.0706960 0.0499896), wk = 0.0026882 k( 181) = ( 0.1326531 0.0765873 0.0541554), wk = 0.0026882 k( 182) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0026882 k( 183) = ( 0.1530612 0.0883699 0.0624870), wk = 0.0026882 k( 184) = ( 0.1632653 0.0942613 0.0666528), wk = 0.0026882 k( 185) = ( 0.1734694 0.1001526 0.0708186), wk = 0.0026882 k( 186) = ( 0.1836735 0.1060439 0.0749844), wk = 0.0026882 k( 187) = ( 0.1938776 0.1119353 0.0791502), wk = 0.0026882 k( 188) = ( 0.2040816 0.1178266 0.0833160), wk = 0.0026882 k( 189) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0026882 k( 190) = ( 0.2244898 0.1296092 0.0916476), wk = 0.0026882 k( 191) = ( 0.2346939 0.1355006 0.0958134), wk = 0.0026882 k( 192) = ( 0.2448980 0.1413919 0.0999792), wk = 0.0026882 k( 193) = ( 0.2551020 0.1472832 0.1041450), wk = 0.0026882 k( 194) = ( 0.2653061 0.1531746 0.1083108), wk = 0.0026882 k( 195) = ( 0.2755102 0.1590659 0.1124766), wk = 0.0026882 k( 196) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0026882 k( 197) = ( 0.2959184 0.1708486 0.1208082), wk = 0.0026882 k( 198) = ( 0.3061224 0.1767399 0.1249740), wk = 0.0026882 k( 199) = ( 0.3163265 0.1826312 0.1291398), wk = 0.0026882 k( 200) = ( 0.3265306 0.1885225 0.1333056), wk = 0.0026882 k( 201) = ( 0.3367347 0.1944139 0.1374714), wk = 0.0026882 k( 202) = ( 0.3469388 0.2003052 0.1416372), wk = 0.0026882 k( 203) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0026882 k( 204) = ( 0.3673469 0.2120879 0.1499688), wk = 0.0026882 k( 205) = ( 0.3775510 0.2179792 0.1541346), wk = 0.0026882 k( 206) = ( 0.3877551 0.2238705 0.1583004), wk = 0.0026882 k( 207) = ( 0.3979592 0.2297618 0.1624662), wk = 0.0026882 k( 208) = ( 0.4081633 0.2356532 0.1666320), wk = 0.0026882 k( 209) = ( 0.4183674 0.2415445 0.1707978), wk = 0.0026882 k( 210) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0026882 k( 211) = ( 0.4387755 0.2533272 0.1791294), wk = 0.0026882 k( 212) = ( 0.4489796 0.2592185 0.1832952), wk = 0.0026882 k( 213) = ( 0.4591837 0.2651098 0.1874609), wk = 0.0026882 k( 214) = ( 0.4693878 0.2710011 0.1916268), wk = 0.0026882 k( 215) = ( 0.4795918 0.2768925 0.1957925), wk = 0.0026882 k( 216) = ( 0.4897959 0.2827838 0.1999583), wk = 0.0026882 k( 217) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 218) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 219) = ( 0.5035714 0.2783653 0.2099563), wk = 0.0026882 k( 220) = ( 0.5071429 0.2680555 0.2157884), wk = 0.0026882 k( 221) = ( 0.5107143 0.2577457 0.2216205), wk = 0.0026882 k( 222) = ( 0.5142857 0.2474358 0.2274526), wk = 0.0026882 k( 223) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0026882 k( 224) = ( 0.5214286 0.2268162 0.2391169), wk = 0.0026882 k( 225) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0026882 k( 226) = ( 0.5285714 0.2061965 0.2507811), wk = 0.0026882 k( 227) = ( 0.5321429 0.1958867 0.2566132), wk = 0.0026882 k( 228) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0026882 k( 229) = ( 0.5392857 0.1752670 0.2682774), wk = 0.0026882 k( 230) = ( 0.5428571 0.1649572 0.2741096), wk = 0.0026882 k( 231) = ( 0.5464286 0.1546474 0.2799417), wk = 0.0026882 k( 232) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0026882 k( 233) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0026882 k( 234) = ( 0.5571429 0.1237179 0.2974380), wk = 0.0026882 k( 235) = ( 0.5607143 0.1134081 0.3032702), wk = 0.0026882 k( 236) = ( 0.5642857 0.1030983 0.3091023), wk = 0.0026882 k( 237) = ( 0.5678571 0.0927884 0.3149344), wk = 0.0026882 k( 238) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0026882 k( 239) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0026882 k( 240) = ( 0.5785714 0.0618590 0.3324308), wk = 0.0026882 k( 241) = ( 0.5821429 0.0515491 0.3382629), wk = 0.0026882 k( 242) = ( 0.5857143 0.0412393 0.3440950), wk = 0.0026882 k( 243) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0026882 k( 244) = ( 0.5928571 0.0206196 0.3557592), wk = 0.0026882 k( 245) = ( 0.5964286 0.0103098 0.3615913), wk = 0.0026882 k( 246) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0026882 k( 247) = ( 0.6035714 -0.0103098 0.3732556), wk = 0.0026882 k( 248) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0026882 k( 249) = ( 0.6107143 -0.0309295 0.3849198), wk = 0.0026882 k( 250) = ( 0.6142857 -0.0412393 0.3907519), wk = 0.0026882 k( 251) = ( 0.6178571 -0.0515491 0.3965841), wk = 0.0026882 k( 252) = ( 0.6214286 -0.0618590 0.4024162), wk = 0.0026882 k( 253) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 254) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 255) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0026882 k( 256) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0026882 k( 257) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0026882 k( 258) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0026882 k( 259) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0026882 k( 260) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0026882 k( 261) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0026882 k( 262) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0026882 k( 263) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0026882 k( 264) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0026882 k( 265) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0026882 k( 266) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0026882 k( 267) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0026882 k( 268) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0026882 k( 269) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0026882 k( 270) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0026882 k( 271) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0026882 k( 272) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0026882 k( 273) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0026882 k( 274) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026882 k( 275) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0026882 k( 276) = ( 0.5000000 0.0072169 0.6021662), wk = 0.0026882 k( 277) = ( 0.5000000 0.0144338 0.5919600), wk = 0.0026882 k( 278) = ( 0.5000000 0.0216506 0.5817538), wk = 0.0026882 k( 279) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0026882 k( 280) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0026882 k( 281) = ( 0.5000000 0.0433013 0.5511352), wk = 0.0026882 k( 282) = ( 0.5000000 0.0505181 0.5409290), wk = 0.0026882 k( 283) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0026882 k( 284) = ( 0.5000000 0.0649519 0.5205166), wk = 0.0026882 k( 285) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0026882 k( 286) = ( 0.5000000 0.0793857 0.5001042), wk = 0.0026882 k( 287) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0026882 k( 288) = ( 0.5000000 0.0938194 0.4796917), wk = 0.0026882 k( 289) = ( 0.5000000 0.1010363 0.4694855), wk = 0.0026882 k( 290) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0026882 k( 291) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0026882 k( 292) = ( 0.5000000 0.1226869 0.4388669), wk = 0.0026882 k( 293) = ( 0.5000000 0.1299038 0.4286607), wk = 0.0026882 k( 294) = ( 0.5000000 0.1371207 0.4184545), wk = 0.0026882 k( 295) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0026882 k( 296) = ( 0.5000000 0.1515544 0.3980421), wk = 0.0026882 k( 297) = ( 0.5000000 0.1587713 0.3878359), wk = 0.0026882 k( 298) = ( 0.5000000 0.1659882 0.3776297), wk = 0.0026882 k( 299) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0026882 k( 300) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0026882 k( 301) = ( 0.5000000 0.1876388 0.3470110), wk = 0.0026882 k( 302) = ( 0.5000000 0.1948557 0.3368048), wk = 0.0026882 k( 303) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0026882 k( 304) = ( 0.5000000 0.2092895 0.3163924), wk = 0.0026882 k( 305) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0026882 k( 306) = ( 0.5000000 0.2237232 0.2959800), wk = 0.0026882 k( 307) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0026882 k( 308) = ( 0.5000000 0.2381570 0.2755676), wk = 0.0026882 k( 309) = ( 0.5000000 0.2453739 0.2653614), wk = 0.0026882 k( 310) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0026882 k( 311) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0026882 k( 312) = ( 0.5000000 0.2670245 0.2347428), wk = 0.0026882 k( 313) = ( 0.5000000 0.2742414 0.2245366), wk = 0.0026882 k( 314) = ( 0.5000000 0.2814583 0.2143304), wk = 0.0026882 k( 315) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 316) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 317) = ( 0.4964286 0.2866132 0.2157884), wk = 0.0026882 k( 318) = ( 0.4928571 0.2845512 0.2274526), wk = 0.0026882 k( 319) = ( 0.4892857 0.2824892 0.2391169), wk = 0.0026882 k( 320) = ( 0.4857143 0.2804273 0.2507811), wk = 0.0026882 k( 321) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0026882 k( 322) = ( 0.4785714 0.2763033 0.2741096), wk = 0.0026882 k( 323) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0026882 k( 324) = ( 0.4714286 0.2721794 0.2974380), wk = 0.0026882 k( 325) = ( 0.4678571 0.2701174 0.3091023), wk = 0.0026882 k( 326) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0026882 k( 327) = ( 0.4607143 0.2659935 0.3324307), wk = 0.0026882 k( 328) = ( 0.4571429 0.2639316 0.3440950), wk = 0.0026882 k( 329) = ( 0.4535714 0.2618696 0.3557592), wk = 0.0026882 k( 330) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0026882 k( 331) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0026882 k( 332) = ( 0.4428571 0.2556837 0.3907519), wk = 0.0026882 k( 333) = ( 0.4392857 0.2536217 0.4024162), wk = 0.0026882 k( 334) = ( 0.4357143 0.2515598 0.4140804), wk = 0.0026882 k( 335) = ( 0.4321429 0.2494978 0.4257446), wk = 0.0026882 k( 336) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0026882 k( 337) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0026882 k( 338) = ( 0.4214286 0.2433119 0.4607374), wk = 0.0026882 k( 339) = ( 0.4178571 0.2412499 0.4724016), wk = 0.0026882 k( 340) = ( 0.4142857 0.2391880 0.4840658), wk = 0.0026882 k( 341) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0026882 k( 342) = ( 0.4071429 0.2350640 0.5073943), wk = 0.0026882 k( 343) = ( 0.4035714 0.2330021 0.5190585), wk = 0.0026882 k( 344) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0026882 k( 345) = ( 0.3964286 0.2288781 0.5423870), wk = 0.0026882 k( 346) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0026882 k( 347) = ( 0.3892857 0.2247542 0.5657155), wk = 0.0026882 k( 348) = ( 0.3857143 0.2226922 0.5773797), wk = 0.0026882 k( 349) = ( 0.3821429 0.2206303 0.5890440), wk = 0.0026882 k( 350) = ( 0.3785714 0.2185683 0.6007082), wk = 0.0026882 k( 351) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 352) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 353) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0026882 k( 354) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0026882 k( 355) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0026882 k( 356) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0026882 k( 357) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0026882 k( 358) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0026882 k( 359) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0026882 k( 360) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0026882 k( 361) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0026882 k( 362) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0026882 k( 363) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0026882 k( 364) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0026882 k( 365) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0026882 k( 366) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0026882 k( 367) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0026882 k( 368) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0026882 k( 369) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0026882 k( 370) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0026882 k( 371) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0026882 k( 372) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0089286 0.0000000 0.0089286), wk = 0.0026882 k( 3) = ( 0.0178571 0.0000000 0.0178571), wk = 0.0026882 k( 4) = ( 0.0267857 0.0000000 0.0267857), wk = 0.0026882 k( 5) = ( 0.0357143 0.0000000 0.0357143), wk = 0.0026882 k( 6) = ( 0.0446429 0.0000000 0.0446429), wk = 0.0026882 k( 7) = ( 0.0535714 0.0000000 0.0535714), wk = 0.0026882 k( 8) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0026882 k( 9) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0026882 k( 10) = ( 0.0803571 0.0000000 0.0803571), wk = 0.0026882 k( 11) = ( 0.0892857 0.0000000 0.0892857), wk = 0.0026882 k( 12) = ( 0.0982143 0.0000000 0.0982143), wk = 0.0026882 k( 13) = ( 0.1071429 0.0000000 0.1071429), wk = 0.0026882 k( 14) = ( 0.1160714 0.0000000 0.1160714), wk = 0.0026882 k( 15) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0026882 k( 16) = ( 0.1339286 0.0000000 0.1339286), wk = 0.0026882 k( 17) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0026882 k( 18) = ( 0.1517857 0.0000000 0.1517857), wk = 0.0026882 k( 19) = ( 0.1607143 0.0000000 0.1607143), wk = 0.0026882 k( 20) = ( 0.1696429 0.0000000 0.1696429), wk = 0.0026882 k( 21) = ( 0.1785714 0.0000000 0.1785714), wk = 0.0026882 k( 22) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0026882 k( 23) = ( 0.1964286 0.0000000 0.1964286), wk = 0.0026882 k( 24) = ( 0.2053571 0.0000000 0.2053571), wk = 0.0026882 k( 25) = ( 0.2142857 0.0000000 0.2142857), wk = 0.0026882 k( 26) = ( 0.2232143 0.0000000 0.2232143), wk = 0.0026882 k( 27) = ( 0.2321429 0.0000000 0.2321429), wk = 0.0026882 k( 28) = ( 0.2410714 0.0000000 0.2410714), wk = 0.0026882 k( 29) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0026882 k( 30) = ( 0.2589286 0.0000000 0.2589286), wk = 0.0026882 k( 31) = ( 0.2678571 0.0000000 0.2678571), wk = 0.0026882 k( 32) = ( 0.2767857 0.0000000 0.2767857), wk = 0.0026882 k( 33) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0026882 k( 34) = ( 0.2946429 0.0000000 0.2946429), wk = 0.0026882 k( 35) = ( 0.3035714 0.0000000 0.3035714), wk = 0.0026882 k( 36) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0026882 k( 37) = ( 0.3214286 0.0000000 0.3214286), wk = 0.0026882 k( 38) = ( 0.3303571 0.0000000 0.3303571), wk = 0.0026882 k( 39) = ( 0.3392857 0.0000000 0.3392857), wk = 0.0026882 k( 40) = ( 0.3482143 0.0000000 0.3482143), wk = 0.0026882 k( 41) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0026882 k( 42) = ( 0.3660714 0.0000000 0.3660714), wk = 0.0026882 k( 43) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0026882 k( 44) = ( 0.3839286 0.0000000 0.3839286), wk = 0.0026882 k( 45) = ( 0.3928571 0.0000000 0.3928571), wk = 0.0026882 k( 46) = ( 0.4017857 0.0000000 0.4017857), wk = 0.0026882 k( 47) = ( 0.4107143 0.0000000 0.4107143), wk = 0.0026882 k( 48) = ( 0.4196429 0.0000000 0.4196429), wk = 0.0026882 k( 49) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0026882 k( 50) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0026882 k( 51) = ( 0.4464286 0.0000000 0.4464286), wk = 0.0026882 k( 52) = ( 0.4553571 0.0000000 0.4553571), wk = 0.0026882 k( 53) = ( 0.4642857 0.0000000 0.4642857), wk = 0.0026882 k( 54) = ( 0.4732143 0.0000000 0.4732143), wk = 0.0026882 k( 55) = ( 0.4821429 0.0000000 0.4821429), wk = 0.0026882 k( 56) = ( 0.4910714 0.0000000 0.4910714), wk = 0.0026882 k( 57) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 58) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 59) = ( 0.5000000 0.0089286 0.5089286), wk = 0.0026882 k( 60) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0026882 k( 61) = ( 0.5000000 0.0267857 0.5267857), wk = 0.0026882 k( 62) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0026882 k( 63) = ( 0.5000000 0.0446429 0.5446429), wk = 0.0026882 k( 64) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0026882 k( 65) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0026882 k( 66) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0026882 k( 67) = ( 0.5000000 0.0803571 0.5803571), wk = 0.0026882 k( 68) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0026882 k( 69) = ( 0.5000000 0.0982143 0.5982143), wk = 0.0026882 k( 70) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0026882 k( 71) = ( 0.5000000 0.1160714 0.6160714), wk = 0.0026882 k( 72) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0026882 k( 73) = ( 0.5000000 0.1339286 0.6339286), wk = 0.0026882 k( 74) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0026882 k( 75) = ( 0.5000000 0.1517857 0.6517857), wk = 0.0026882 k( 76) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0026882 k( 77) = ( 0.5000000 0.1696429 0.6696429), wk = 0.0026882 k( 78) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0026882 k( 79) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0026882 k( 80) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0026882 k( 81) = ( 0.5000000 0.2053571 0.7053571), wk = 0.0026882 k( 82) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0026882 k( 83) = ( 0.5000000 0.2232143 0.7232143), wk = 0.0026882 k( 84) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0026882 k( 85) = ( 0.5000000 0.2410714 0.7410714), wk = 0.0026882 k( 86) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 87) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 88) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0026882 k( 89) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0026882 k( 90) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0026882 k( 91) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0026882 k( 92) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0026882 k( 93) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0026882 k( 94) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0026882 k( 95) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0026882 k( 96) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0026882 k( 97) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0026882 k( 98) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0026882 k( 99) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0026882 k( 100) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0026882 k( 101) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0026882 k( 102) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0026882 k( 103) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0026882 k( 104) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0026882 k( 105) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0026882 k( 106) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0026882 k( 107) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 108) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 109) = ( 0.3686441 0.3686441 0.7372881), wk = 0.0026882 k( 110) = ( 0.3622881 0.3622881 0.7245763), wk = 0.0026882 k( 111) = ( 0.3559322 0.3559322 0.7118644), wk = 0.0026882 k( 112) = ( 0.3495763 0.3495763 0.6991525), wk = 0.0026882 k( 113) = ( 0.3432203 0.3432203 0.6864407), wk = 0.0026882 k( 114) = ( 0.3368644 0.3368644 0.6737288), wk = 0.0026882 k( 115) = ( 0.3305085 0.3305085 0.6610170), wk = 0.0026882 k( 116) = ( 0.3241525 0.3241525 0.6483051), wk = 0.0026882 k( 117) = ( 0.3177966 0.3177966 0.6355932), wk = 0.0026882 k( 118) = ( 0.3114407 0.3114407 0.6228814), wk = 0.0026882 k( 119) = ( 0.3050848 0.3050848 0.6101695), wk = 0.0026882 k( 120) = ( 0.2987288 0.2987288 0.5974576), wk = 0.0026882 k( 121) = ( 0.2923729 0.2923729 0.5847458), wk = 0.0026882 k( 122) = ( 0.2860169 0.2860169 0.5720339), wk = 0.0026882 k( 123) = ( 0.2796610 0.2796610 0.5593220), wk = 0.0026882 k( 124) = ( 0.2733051 0.2733051 0.5466102), wk = 0.0026882 k( 125) = ( 0.2669492 0.2669492 0.5338983), wk = 0.0026882 k( 126) = ( 0.2605932 0.2605932 0.5211864), wk = 0.0026882 k( 127) = ( 0.2542373 0.2542373 0.5084746), wk = 0.0026882 k( 128) = ( 0.2478814 0.2478814 0.4957627), wk = 0.0026882 k( 129) = ( 0.2415254 0.2415254 0.4830509), wk = 0.0026882 k( 130) = ( 0.2351695 0.2351695 0.4703390), wk = 0.0026882 k( 131) = ( 0.2288136 0.2288136 0.4576271), wk = 0.0026882 k( 132) = ( 0.2224576 0.2224576 0.4449153), wk = 0.0026882 k( 133) = ( 0.2161017 0.2161017 0.4322034), wk = 0.0026882 k( 134) = ( 0.2097458 0.2097458 0.4194915), wk = 0.0026882 k( 135) = ( 0.2033898 0.2033898 0.4067797), wk = 0.0026882 k( 136) = ( 0.1970339 0.1970339 0.3940678), wk = 0.0026882 k( 137) = ( 0.1906780 0.1906780 0.3813559), wk = 0.0026882 k( 138) = ( 0.1843220 0.1843220 0.3686441), wk = 0.0026882 k( 139) = ( 0.1779661 0.1779661 0.3559322), wk = 0.0026882 k( 140) = ( 0.1716102 0.1716102 0.3432203), wk = 0.0026882 k( 141) = ( 0.1652542 0.1652542 0.3305085), wk = 0.0026882 k( 142) = ( 0.1588983 0.1588983 0.3177966), wk = 0.0026882 k( 143) = ( 0.1525424 0.1525424 0.3050848), wk = 0.0026882 k( 144) = ( 0.1461864 0.1461864 0.2923729), wk = 0.0026882 k( 145) = ( 0.1398305 0.1398305 0.2796610), wk = 0.0026882 k( 146) = ( 0.1334746 0.1334746 0.2669492), wk = 0.0026882 k( 147) = ( 0.1271186 0.1271186 0.2542373), wk = 0.0026882 k( 148) = ( 0.1207627 0.1207627 0.2415254), wk = 0.0026882 k( 149) = ( 0.1144068 0.1144068 0.2288136), wk = 0.0026882 k( 150) = ( 0.1080509 0.1080509 0.2161017), wk = 0.0026882 k( 151) = ( 0.1016949 0.1016949 0.2033898), wk = 0.0026882 k( 152) = ( 0.0953390 0.0953390 0.1906780), wk = 0.0026882 k( 153) = ( 0.0889830 0.0889830 0.1779661), wk = 0.0026882 k( 154) = ( 0.0826271 0.0826271 0.1652542), wk = 0.0026882 k( 155) = ( 0.0762712 0.0762712 0.1525424), wk = 0.0026882 k( 156) = ( 0.0699152 0.0699152 0.1398305), wk = 0.0026882 k( 157) = ( 0.0635593 0.0635593 0.1271186), wk = 0.0026882 k( 158) = ( 0.0572034 0.0572034 0.1144068), wk = 0.0026882 k( 159) = ( 0.0508475 0.0508475 0.1016949), wk = 0.0026882 k( 160) = ( 0.0444915 0.0444915 0.0889831), wk = 0.0026882 k( 161) = ( 0.0381356 0.0381356 0.0762712), wk = 0.0026882 k( 162) = ( 0.0317797 0.0317797 0.0635593), wk = 0.0026882 k( 163) = ( 0.0254237 0.0254237 0.0508475), wk = 0.0026882 k( 164) = ( 0.0190678 0.0190678 0.0381356), wk = 0.0026882 k( 165) = ( 0.0127119 0.0127119 0.0254237), wk = 0.0026882 k( 166) = ( 0.0063559 0.0063559 0.0127119), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 169) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0026882 k( 170) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0026882 k( 171) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0026882 k( 172) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0026882 k( 173) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0026882 k( 174) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0026882 k( 175) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0026882 k( 176) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0026882 k( 177) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0026882 k( 178) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0026882 k( 179) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0026882 k( 180) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0026882 k( 181) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0026882 k( 182) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0026882 k( 183) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0026882 k( 184) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0026882 k( 185) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0026882 k( 186) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0026882 k( 187) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0026882 k( 188) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0026882 k( 189) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0026882 k( 190) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0026882 k( 191) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0026882 k( 192) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0026882 k( 193) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0026882 k( 194) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0026882 k( 195) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0026882 k( 196) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0026882 k( 197) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0026882 k( 198) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0026882 k( 199) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0026882 k( 200) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0026882 k( 201) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0026882 k( 202) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0026882 k( 203) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0026882 k( 204) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0026882 k( 205) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0026882 k( 206) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0026882 k( 207) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0026882 k( 208) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0026882 k( 209) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0026882 k( 210) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0026882 k( 211) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0026882 k( 212) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0026882 k( 213) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0026882 k( 214) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0026882 k( 215) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0026882 k( 216) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0026882 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 219) = ( 0.5035714 0.4928571 0.5035714), wk = 0.0026882 k( 220) = ( 0.5071429 0.4857143 0.5071429), wk = 0.0026882 k( 221) = ( 0.5107143 0.4785714 0.5107143), wk = 0.0026882 k( 222) = ( 0.5142857 0.4714286 0.5142857), wk = 0.0026882 k( 223) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0026882 k( 224) = ( 0.5214286 0.4571429 0.5214286), wk = 0.0026882 k( 225) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0026882 k( 226) = ( 0.5285714 0.4428571 0.5285714), wk = 0.0026882 k( 227) = ( 0.5321429 0.4357143 0.5321429), wk = 0.0026882 k( 228) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0026882 k( 229) = ( 0.5392857 0.4214286 0.5392857), wk = 0.0026882 k( 230) = ( 0.5428571 0.4142857 0.5428571), wk = 0.0026882 k( 231) = ( 0.5464286 0.4071429 0.5464286), wk = 0.0026882 k( 232) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0026882 k( 233) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0026882 k( 234) = ( 0.5571429 0.3857143 0.5571429), wk = 0.0026882 k( 235) = ( 0.5607143 0.3785714 0.5607143), wk = 0.0026882 k( 236) = ( 0.5642857 0.3714286 0.5642857), wk = 0.0026882 k( 237) = ( 0.5678571 0.3642857 0.5678571), wk = 0.0026882 k( 238) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0026882 k( 239) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0026882 k( 240) = ( 0.5785714 0.3428571 0.5785714), wk = 0.0026882 k( 241) = ( 0.5821429 0.3357143 0.5821429), wk = 0.0026882 k( 242) = ( 0.5857143 0.3285714 0.5857143), wk = 0.0026882 k( 243) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0026882 k( 244) = ( 0.5928571 0.3142857 0.5928571), wk = 0.0026882 k( 245) = ( 0.5964286 0.3071429 0.5964286), wk = 0.0026882 k( 246) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0026882 k( 247) = ( 0.6035714 0.2928571 0.6035714), wk = 0.0026882 k( 248) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0026882 k( 249) = ( 0.6107143 0.2785714 0.6107143), wk = 0.0026882 k( 250) = ( 0.6142857 0.2714286 0.6142857), wk = 0.0026882 k( 251) = ( 0.6178571 0.2642857 0.6178571), wk = 0.0026882 k( 252) = ( 0.6214286 0.2571429 0.6214286), wk = 0.0026882 k( 253) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 254) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 255) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0026882 k( 256) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0026882 k( 257) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0026882 k( 258) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0026882 k( 259) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0026882 k( 260) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0026882 k( 261) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0026882 k( 262) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0026882 k( 263) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0026882 k( 264) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0026882 k( 265) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0026882 k( 266) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0026882 k( 267) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0026882 k( 268) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0026882 k( 269) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0026882 k( 270) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0026882 k( 271) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0026882 k( 272) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0026882 k( 273) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0026882 k( 274) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 275) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 276) = ( 0.5000000 0.2562500 0.7437500), wk = 0.0026882 k( 277) = ( 0.5000000 0.2625000 0.7375000), wk = 0.0026882 k( 278) = ( 0.5000000 0.2687500 0.7312500), wk = 0.0026882 k( 279) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0026882 k( 280) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0026882 k( 281) = ( 0.5000000 0.2875000 0.7125000), wk = 0.0026882 k( 282) = ( 0.5000000 0.2937500 0.7062500), wk = 0.0026882 k( 283) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0026882 k( 284) = ( 0.5000000 0.3062500 0.6937500), wk = 0.0026882 k( 285) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0026882 k( 286) = ( 0.5000000 0.3187500 0.6812500), wk = 0.0026882 k( 287) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0026882 k( 288) = ( 0.5000000 0.3312500 0.6687500), wk = 0.0026882 k( 289) = ( 0.5000000 0.3375000 0.6625000), wk = 0.0026882 k( 290) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0026882 k( 291) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0026882 k( 292) = ( 0.5000000 0.3562500 0.6437500), wk = 0.0026882 k( 293) = ( 0.5000000 0.3625000 0.6375000), wk = 0.0026882 k( 294) = ( 0.5000000 0.3687500 0.6312500), wk = 0.0026882 k( 295) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0026882 k( 296) = ( 0.5000000 0.3812500 0.6187500), wk = 0.0026882 k( 297) = ( 0.5000000 0.3875000 0.6125000), wk = 0.0026882 k( 298) = ( 0.5000000 0.3937500 0.6062500), wk = 0.0026882 k( 299) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0026882 k( 300) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0026882 k( 301) = ( 0.5000000 0.4125000 0.5875000), wk = 0.0026882 k( 302) = ( 0.5000000 0.4187500 0.5812500), wk = 0.0026882 k( 303) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0026882 k( 304) = ( 0.5000000 0.4312500 0.5687500), wk = 0.0026882 k( 305) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0026882 k( 306) = ( 0.5000000 0.4437500 0.5562500), wk = 0.0026882 k( 307) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0026882 k( 308) = ( 0.5000000 0.4562500 0.5437500), wk = 0.0026882 k( 309) = ( 0.5000000 0.4625000 0.5375000), wk = 0.0026882 k( 310) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0026882 k( 311) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0026882 k( 312) = ( 0.5000000 0.4812500 0.5187500), wk = 0.0026882 k( 313) = ( 0.5000000 0.4875000 0.5125000), wk = 0.0026882 k( 314) = ( 0.5000000 0.4937500 0.5062500), wk = 0.0026882 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 317) = ( 0.4964286 0.4964286 0.5071429), wk = 0.0026882 k( 318) = ( 0.4928571 0.4928571 0.5142857), wk = 0.0026882 k( 319) = ( 0.4892857 0.4892857 0.5214286), wk = 0.0026882 k( 320) = ( 0.4857143 0.4857143 0.5285714), wk = 0.0026882 k( 321) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0026882 k( 322) = ( 0.4785714 0.4785714 0.5428571), wk = 0.0026882 k( 323) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0026882 k( 324) = ( 0.4714286 0.4714286 0.5571429), wk = 0.0026882 k( 325) = ( 0.4678571 0.4678571 0.5642857), wk = 0.0026882 k( 326) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0026882 k( 327) = ( 0.4607143 0.4607143 0.5785714), wk = 0.0026882 k( 328) = ( 0.4571429 0.4571429 0.5857143), wk = 0.0026882 k( 329) = ( 0.4535714 0.4535714 0.5928571), wk = 0.0026882 k( 330) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0026882 k( 331) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0026882 k( 332) = ( 0.4428571 0.4428571 0.6142857), wk = 0.0026882 k( 333) = ( 0.4392857 0.4392857 0.6214286), wk = 0.0026882 k( 334) = ( 0.4357143 0.4357143 0.6285714), wk = 0.0026882 k( 335) = ( 0.4321429 0.4321429 0.6357143), wk = 0.0026882 k( 336) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0026882 k( 337) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0026882 k( 338) = ( 0.4214286 0.4214286 0.6571429), wk = 0.0026882 k( 339) = ( 0.4178571 0.4178571 0.6642857), wk = 0.0026882 k( 340) = ( 0.4142857 0.4142857 0.6714286), wk = 0.0026882 k( 341) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0026882 k( 342) = ( 0.4071429 0.4071429 0.6857143), wk = 0.0026882 k( 343) = ( 0.4035714 0.4035714 0.6928571), wk = 0.0026882 k( 344) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0026882 k( 345) = ( 0.3964286 0.3964286 0.7071429), wk = 0.0026882 k( 346) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0026882 k( 347) = ( 0.3892857 0.3892857 0.7214286), wk = 0.0026882 k( 348) = ( 0.3857143 0.3857143 0.7285714), wk = 0.0026882 k( 349) = ( 0.3821429 0.3821429 0.7357143), wk = 0.0026882 k( 350) = ( 0.3785714 0.3785714 0.7428571), wk = 0.0026882 k( 351) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 352) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 353) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0026882 k( 354) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0026882 k( 355) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0026882 k( 356) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0026882 k( 357) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0026882 k( 358) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0026882 k( 359) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0026882 k( 360) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0026882 k( 361) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0026882 k( 362) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0026882 k( 363) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0026882 k( 364) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0026882 k( 365) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0026882 k( 366) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0026882 k( 367) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0026882 k( 368) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0026882 k( 369) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0026882 k( 370) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0026882 k( 371) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0026882 k( 372) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 Dense grid: 19195 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 12039 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 70, 26) NL pseudopotentials 0.03 Mb ( 35, 48) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 398) G-vector shells 0.00 Mb ( 173) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 70, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./GaAs.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.5 secs Computing kpt #: 2 total cpu time spent up to now is 40.9 secs Computing kpt #: 3 total cpu time spent up to now is 41.1 secs Computing kpt #: 4 total cpu time spent up to now is 41.3 secs Computing kpt #: 5 total cpu time spent up to now is 41.5 secs Computing kpt #: 6 total cpu time spent up to now is 41.7 secs Computing kpt #: 7 total cpu time spent up to now is 42.0 secs Computing kpt #: 8 total cpu time spent up to now is 42.2 secs Computing kpt #: 9 total cpu time spent up to now is 42.4 secs Computing kpt #: 10 total cpu time spent up to now is 42.6 secs Computing kpt #: 11 total cpu time spent up to now is 42.8 secs Computing kpt #: 12 total cpu time spent up to now is 43.0 secs Computing kpt #: 13 total cpu time spent up to now is 43.2 secs Computing kpt #: 14 total cpu time spent up to now is 43.4 secs Computing kpt #: 15 total cpu time spent up to now is 43.6 secs Computing kpt #: 16 total cpu time spent up to now is 43.8 secs Computing kpt #: 17 total cpu time spent up to now is 44.0 secs Computing kpt #: 18 total cpu time spent up to now is 44.2 secs Computing kpt #: 19 total cpu time spent up to now is 44.5 secs Computing kpt #: 20 total cpu time spent up to now is 44.7 secs Computing kpt #: 21 total cpu time spent up to now is 44.9 secs Computing kpt #: 22 total cpu time spent up to now is 45.1 secs Computing kpt #: 23 total cpu time spent up to now is 45.3 secs Computing kpt #: 24 total cpu time spent up to now is 45.5 secs Computing kpt #: 25 total cpu time spent up to now is 45.7 secs Computing kpt #: 26 total cpu time spent up to now is 45.9 secs Computing kpt #: 27 total cpu time spent up to now is 46.1 secs Computing kpt #: 28 total cpu time spent up to now is 46.3 secs Computing kpt #: 29 total cpu time spent up to now is 46.5 secs Computing kpt #: 30 total cpu time spent up to now is 46.7 secs Computing kpt #: 31 total cpu time spent up to now is 46.9 secs Computing kpt #: 32 total cpu time spent up to now is 47.1 secs Computing kpt #: 33 total cpu time spent up to now is 47.4 secs Computing kpt #: 34 total cpu time spent up to now is 47.7 secs Computing kpt #: 35 total cpu time spent up to now is 47.9 secs Computing kpt #: 36 total cpu time spent up to now is 48.2 secs Computing kpt #: 37 total cpu time spent up to now is 48.4 secs Computing kpt #: 38 total cpu 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Computing kpt #: 54 total cpu time spent up to now is 52.6 secs Computing kpt #: 55 total cpu time spent up to now is 52.9 secs Computing kpt #: 56 total cpu time spent up to now is 53.1 secs Computing kpt #: 57 total cpu time spent up to now is 53.4 secs Computing kpt #: 58 total cpu time spent up to now is 53.6 secs Computing kpt #: 59 total cpu time spent up to now is 53.9 secs Computing kpt #: 60 total cpu time spent up to now is 54.1 secs Computing kpt #: 61 total cpu time spent up to now is 54.4 secs Computing kpt #: 62 total cpu time spent up to now is 54.7 secs Computing kpt #: 63 total cpu time spent up to now is 54.9 secs Computing kpt #: 64 total cpu time spent up to now is 55.2 secs Computing kpt #: 65 total cpu time spent up to now is 55.4 secs Computing kpt #: 66 total cpu time spent up to now is 55.6 secs Computing kpt #: 67 total cpu time spent up to now is 55.9 secs Computing kpt #: 68 total cpu time spent up to now is 56.1 secs Computing kpt #: 69 total cpu time spent up to now is 56.3 secs Computing kpt #: 70 total cpu time spent up to now is 56.5 secs Computing kpt #: 71 total cpu time spent up to now is 56.8 secs Computing kpt #: 72 total cpu time spent up to now is 57.0 secs Computing kpt #: 73 total cpu time spent up to now is 57.2 secs Computing kpt #: 74 total cpu time spent up to now is 57.4 secs Computing kpt #: 75 total cpu time spent up to now is 57.7 secs Computing kpt #: 76 total cpu time spent up to now is 57.9 secs Computing kpt #: 77 total cpu time spent up to now is 58.1 secs Computing kpt #: 78 total cpu time spent up to now is 58.3 secs Computing kpt #: 79 total cpu time spent up to now is 58.5 secs Computing kpt #: 80 total cpu time spent up to now is 58.7 secs Computing kpt #: 81 total cpu time spent up to now is 59.0 secs Computing kpt #: 82 total cpu time spent up to now is 59.2 secs Computing kpt #: 83 total cpu time spent up to now is 59.4 secs Computing kpt #: 84 total cpu time spent up to now is 59.6 secs Computing kpt #: 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63.3 secs Computing kpt #: 101 total cpu time spent up to now is 63.5 secs Computing kpt #: 102 total cpu time spent up to now is 63.7 secs Computing kpt #: 103 total cpu time spent up to now is 63.9 secs Computing kpt #: 104 total cpu time spent up to now is 64.2 secs Computing kpt #: 105 total cpu time spent up to now is 64.4 secs Computing kpt #: 106 total cpu time spent up to now is 64.6 secs Computing kpt #: 107 total cpu time spent up to now is 64.9 secs Computing kpt #: 108 total cpu time spent up to now is 65.1 secs Computing kpt #: 109 total cpu time spent up to now is 65.3 secs Computing kpt #: 110 total cpu time spent up to now is 65.6 secs Computing kpt #: 111 total cpu time spent up to now is 65.9 secs Computing kpt #: 112 total cpu time spent up to now is 66.2 secs Computing kpt #: 113 total cpu time spent up to now is 66.5 secs Computing kpt #: 114 total cpu time spent up to now is 66.8 secs Computing kpt #: 115 total cpu time spent up to now is 67.1 secs Computing kpt #: 116 total cpu time spent up to now is 67.4 secs Computing kpt #: 117 total cpu time spent up to now is 67.7 secs Computing kpt #: 118 total cpu time spent up to now is 67.9 secs Computing kpt #: 119 total cpu time spent up to now is 68.1 secs Computing kpt #: 120 total cpu time spent up to now is 68.3 secs Computing kpt #: 121 total cpu time spent up to now is 68.6 secs Computing kpt #: 122 total cpu time spent up to now is 68.8 secs Computing kpt #: 123 total cpu time spent up to now is 69.0 secs Computing kpt #: 124 total cpu time spent up to now is 69.2 secs Computing kpt #: 125 total cpu time spent up to now is 69.4 secs Computing kpt #: 126 total cpu time spent up to now is 69.6 secs Computing kpt #: 127 total cpu time spent up to now is 69.9 secs Computing kpt #: 128 total cpu time spent up to now is 70.1 secs Computing kpt #: 129 total cpu time spent up to now is 70.3 secs Computing kpt #: 130 total cpu time spent up to now is 70.6 secs Computing kpt #: 131 total cpu time spent up to now is 70.8 secs Computing kpt #: 132 total cpu time spent up to now is 71.0 secs Computing kpt #: 133 total cpu time spent up to now is 71.3 secs Computing kpt #: 134 total cpu time spent up to now is 71.6 secs Computing kpt #: 135 total cpu time spent up to now is 71.8 secs Computing kpt #: 136 total cpu time spent up to now is 72.0 secs Computing kpt #: 137 total cpu time spent up to now is 72.3 secs Computing kpt #: 138 total cpu time spent up to now is 72.5 secs Computing kpt #: 139 total cpu time spent up to now is 72.7 secs Computing kpt #: 140 total cpu time spent up to now is 72.9 secs Computing kpt #: 141 total cpu time spent up to now is 73.2 secs Computing kpt #: 142 total cpu time spent up to now is 73.4 secs Computing kpt #: 143 total cpu time spent up to now is 73.7 secs Computing kpt #: 144 total cpu time spent up to now is 73.9 secs Computing kpt #: 145 total cpu time spent up to now is 74.2 secs Computing kpt #: 146 total cpu time spent up to now is 74.4 secs Computing kpt #: 147 total cpu time spent up to now is 74.6 secs Computing kpt #: 148 total cpu time spent up to now is 74.8 secs Computing kpt #: 149 total cpu time spent up to now is 75.1 secs Computing kpt #: 150 total cpu time spent up to now is 75.3 secs Computing kpt #: 151 total cpu time spent up to now is 75.6 secs Computing kpt #: 152 total cpu time spent up to now is 75.8 secs Computing kpt #: 153 total cpu time spent up to now is 76.1 secs Computing kpt #: 154 total cpu time spent up to now is 76.3 secs Computing kpt #: 155 total cpu time spent up to now is 76.5 secs Computing kpt #: 156 total cpu time spent up to now is 76.7 secs Computing kpt #: 157 total cpu time spent up to now is 76.9 secs Computing kpt #: 158 total cpu time spent up to now is 77.2 secs Computing kpt #: 159 total cpu time spent up to now is 77.4 secs Computing kpt #: 160 total cpu time spent up to now is 77.7 secs Computing kpt #: 161 total cpu time spent up to now is 77.9 secs Computing kpt #: 162 total cpu time spent up to now is 78.2 secs Computing kpt #: 163 total cpu time spent up to now is 78.5 secs Computing kpt #: 164 total cpu time spent up to now is 78.7 secs Computing kpt #: 165 total cpu time spent up to now is 78.9 secs Computing kpt #: 166 total cpu time spent up to now is 79.1 secs Computing kpt #: 167 total cpu time spent up to now is 79.3 secs Computing kpt #: 168 total cpu time spent up to now is 79.5 secs Computing kpt #: 169 total cpu time spent up to now is 79.8 secs Computing kpt #: 170 total cpu time spent up to now is 80.0 secs Computing kpt #: 171 total cpu time spent up to now is 80.2 secs Computing kpt #: 172 total cpu time spent up to now is 80.4 secs Computing kpt #: 173 total cpu time spent up to now is 80.6 secs Computing kpt #: 174 total cpu time spent up to now is 80.9 secs Computing kpt #: 175 total cpu time spent up to now is 81.1 secs Computing kpt #: 176 total cpu time spent up to now is 81.3 secs Computing kpt #: 177 total cpu time spent up to now is 81.5 secs Computing kpt #: 178 total cpu time spent up to now is 81.7 secs Computing kpt #: 179 total cpu time spent up to now is 81.9 secs Computing kpt #: 180 total cpu time spent up to now is 82.1 secs Computing kpt #: 181 total cpu time spent up to now is 82.3 secs Computing kpt #: 182 total cpu time spent up to now is 82.5 secs Computing kpt #: 183 total cpu time spent up to now is 82.7 secs Computing kpt #: 184 total cpu time spent up to now is 82.9 secs Computing kpt #: 185 total cpu time spent up to now is 83.1 secs Computing kpt #: 186 total cpu time spent up to now is 83.3 secs Computing kpt #: 187 total cpu time spent up to now is 83.7 secs Computing kpt #: 188 total cpu time spent up to now is 83.9 secs Computing kpt #: 189 total cpu time spent up to now is 84.4 secs Computing kpt #: 190 total cpu time spent up to now is 84.7 secs Computing kpt #: 191 total cpu time spent up to now is 84.9 secs Computing kpt #: 192 total cpu time spent up to now is 85.1 secs Computing kpt #: 193 total cpu time spent up to now is 85.4 secs Computing kpt #: 194 total cpu time spent up to now is 85.7 secs Computing kpt #: 195 total cpu time spent up to now is 85.9 secs Computing kpt #: 196 total cpu time spent up to now is 86.1 secs Computing kpt #: 197 total cpu time spent up to now is 86.3 secs Computing kpt #: 198 total cpu time spent up to now is 86.5 secs Computing kpt #: 199 total cpu time spent up to now is 86.8 secs Computing kpt #: 200 total cpu time spent up to now is 87.0 secs Computing kpt #: 201 total cpu time spent up to now is 87.2 secs Computing kpt #: 202 total cpu time spent up to now is 87.5 secs Computing kpt #: 203 total cpu time spent up to now is 87.7 secs Computing kpt #: 204 total cpu time spent up to now is 88.0 secs Computing kpt #: 205 total cpu time spent up to now is 88.2 secs Computing kpt #: 206 total cpu time spent up to now is 88.4 secs Computing kpt #: 207 total cpu time spent up to now is 88.7 secs Computing kpt #: 208 total cpu time spent up to now is 88.9 secs Computing kpt #: 209 total cpu time spent up to now is 89.1 secs Computing kpt #: 210 total cpu time spent up to now is 89.4 secs Computing kpt #: 211 total cpu time spent up to now is 89.7 secs Computing kpt #: 212 total cpu time spent up to now is 89.9 secs Computing kpt #: 213 total cpu time spent up to now is 90.2 secs Computing kpt #: 214 total cpu time spent up to now is 90.5 secs Computing kpt #: 215 total cpu time spent up to now is 90.8 secs Computing kpt #: 216 total cpu time spent up to now is 91.0 secs Computing kpt #: 217 total cpu time spent up to now is 91.3 secs Computing kpt #: 218 total cpu time spent up to now is 91.6 secs Computing kpt #: 219 total cpu time spent up to now is 91.8 secs Computing kpt #: 220 total cpu time spent up to now is 92.0 secs Computing kpt #: 221 total cpu time spent up to now is 92.3 secs Computing kpt #: 222 total cpu time spent up to now is 92.5 secs Computing kpt #: 223 total cpu time spent up to now is 92.7 secs Computing kpt #: 224 total cpu time spent up to now is 93.0 secs Computing kpt #: 225 total cpu time spent up to now is 93.2 secs Computing kpt #: 226 total cpu time spent up to now is 93.4 secs Computing kpt #: 227 total cpu time spent up to now is 93.7 secs Computing kpt #: 228 total cpu time spent up to now is 93.9 secs Computing kpt #: 229 total cpu time spent up to now is 94.1 secs Computing kpt #: 230 total cpu time spent up to now is 94.4 secs Computing kpt #: 231 total cpu time spent up to now is 94.6 secs Computing kpt #: 232 total cpu time spent up to now is 94.8 secs Computing kpt #: 233 total cpu time spent up to now is 95.1 secs Computing kpt #: 234 total cpu time spent up to now is 95.3 secs Computing kpt #: 235 total cpu time spent up to now is 95.6 secs Computing kpt #: 236 total cpu time spent up to now is 95.8 secs Computing kpt #: 237 total cpu time spent up to now is 96.1 secs Computing kpt #: 238 total cpu time spent up to now is 96.3 secs Computing kpt #: 239 total cpu time spent up to now is 96.6 secs Computing kpt #: 240 total cpu time spent up to now is 96.8 secs Computing kpt #: 241 total cpu time spent up to now is 97.1 secs Computing kpt #: 242 total cpu time spent up to now is 97.3 secs Computing kpt #: 243 total cpu time spent up to now is 97.5 secs Computing kpt #: 244 total cpu time spent up to now is 97.8 secs Computing kpt #: 245 total cpu time spent up to now is 98.0 secs Computing kpt #: 246 total cpu time spent up to now is 98.2 secs Computing kpt #: 247 total cpu time spent up to now is 98.4 secs Computing kpt #: 248 total cpu time spent up to now is 98.7 secs Computing kpt #: 249 total cpu time spent up to now is 98.9 secs Computing kpt #: 250 total cpu time spent up to now is 99.1 secs Computing kpt #: 251 total cpu time spent up to now is 99.3 secs Computing kpt #: 252 total cpu time spent up to now is 99.6 secs Computing kpt #: 253 total cpu time spent up to now is 99.8 secs Computing kpt #: 254 total cpu time spent up to now is 100.0 secs Computing kpt #: 255 total cpu time spent up to now is 100.3 secs Computing kpt #: 256 total cpu time spent up to now is 100.5 secs Computing kpt #: 257 total cpu time spent up to now is 100.7 secs Computing kpt #: 258 total cpu time spent up to now is 100.9 secs Computing kpt #: 259 total cpu time spent up to now is 101.2 secs Computing kpt #: 260 total cpu time spent up to now is 101.5 secs Computing kpt #: 261 total cpu time spent up to now is 101.8 secs Computing kpt #: 262 total cpu time spent up to now is 102.0 secs Computing kpt #: 263 total cpu time spent up to now is 102.3 secs Computing kpt #: 264 total cpu time spent up to now is 102.5 secs Computing kpt #: 265 total cpu time spent up to now is 102.8 secs Computing kpt #: 266 total cpu time spent up to now is 103.0 secs Computing kpt #: 267 total cpu time spent up to now is 103.2 secs Computing kpt #: 268 total cpu time spent up to now is 103.4 secs Computing kpt #: 269 total cpu time spent up to now is 103.7 secs Computing kpt #: 270 total cpu time spent up to now is 103.9 secs Computing kpt #: 271 total cpu time spent up to now is 104.1 secs Computing kpt #: 272 total cpu time spent up to now is 104.3 secs Computing kpt #: 273 total cpu time spent up to now is 104.5 secs Computing kpt #: 274 total cpu time spent up to now is 104.7 secs Computing kpt #: 275 total cpu time spent up to now is 104.9 secs Computing kpt #: 276 total cpu time spent up to now is 105.1 secs Computing kpt #: 277 total cpu time spent up to now is 105.3 secs Computing kpt #: 278 total cpu time spent up to now is 105.5 secs Computing kpt #: 279 total cpu time spent up to now is 105.8 secs Computing kpt #: 280 total cpu time spent up to now is 106.0 secs Computing kpt #: 281 total cpu time spent up to now is 106.2 secs Computing kpt #: 282 total cpu time spent up to now is 106.4 secs Computing kpt #: 283 total cpu time spent up to now is 106.6 secs Computing kpt #: 284 total cpu time spent up to now is 106.9 secs Computing kpt #: 285 total cpu time spent up to now is 107.1 secs Computing kpt #: 286 total cpu time spent up to now is 107.3 secs Computing kpt #: 287 total cpu time spent up to now is 107.6 secs Computing kpt #: 288 total cpu time spent up to now is 107.9 secs Computing kpt #: 289 total cpu time spent up to now is 108.2 secs Computing kpt #: 290 total cpu time spent up to now is 108.6 secs Computing kpt #: 291 total cpu time spent up to now is 108.8 secs Computing kpt #: 292 total cpu time spent up to now is 109.1 secs Computing kpt #: 293 total cpu time spent up to now is 109.4 secs Computing kpt #: 294 total cpu time spent up to now is 109.7 secs Computing kpt #: 295 total cpu time spent up to now is 109.9 secs Computing kpt #: 296 total cpu time spent up to now is 110.1 secs Computing kpt #: 297 total cpu time spent up to now is 110.4 secs Computing kpt #: 298 total cpu time spent up to now is 110.6 secs Computing kpt #: 299 total cpu time spent up to now is 110.9 secs Computing kpt #: 300 total cpu time spent up to now is 111.1 secs Computing kpt #: 301 total cpu time spent up to now is 111.3 secs Computing kpt #: 302 total cpu time spent up to now is 111.5 secs Computing kpt #: 303 total cpu time spent up to now is 111.8 secs Computing kpt #: 304 total cpu time spent up to now is 112.0 secs Computing kpt #: 305 total cpu time spent up to now is 112.2 secs Computing kpt #: 306 total cpu time spent up to now is 112.5 secs Computing kpt #: 307 total cpu time spent up to now is 112.7 secs Computing kpt #: 308 total cpu time spent up to now is 112.9 secs Computing kpt #: 309 total cpu time spent up to now is 113.2 secs Computing kpt #: 310 total cpu time spent up to now is 113.4 secs Computing kpt #: 311 total cpu time spent up to now is 113.7 secs Computing kpt #: 312 total cpu time spent up to now is 113.9 secs Computing kpt #: 313 total cpu time spent up to now is 114.2 secs Computing kpt #: 314 total cpu time spent up to now is 114.4 secs Computing kpt #: 315 total cpu time spent up to now is 114.7 secs Computing kpt #: 316 total cpu time spent up to now is 114.9 secs Computing kpt #: 317 total cpu time spent up to now is 115.2 secs Computing kpt #: 318 total cpu time spent up to now is 115.4 secs Computing kpt #: 319 total cpu time spent up to now is 115.6 secs Computing kpt #: 320 total cpu time spent up to now is 115.9 secs Computing kpt #: 321 total cpu time spent up to now is 116.1 secs Computing kpt #: 322 total cpu time spent up to now is 116.3 secs Computing kpt #: 323 total cpu time spent up to now is 116.6 secs Computing kpt #: 324 total cpu time spent up to now is 116.8 secs Computing kpt #: 325 total cpu time spent up to now is 117.0 secs Computing kpt #: 326 total cpu time spent up to now is 117.3 secs Computing kpt #: 327 total cpu time spent up to now is 117.5 secs Computing kpt #: 328 total cpu time spent up to now is 117.7 secs Computing kpt #: 329 total cpu time spent up to now is 118.0 secs Computing kpt #: 330 total cpu time spent up to now is 118.2 secs Computing kpt #: 331 total cpu time spent up to now is 118.4 secs Computing kpt #: 332 total cpu time spent up to now is 118.6 secs Computing kpt #: 333 total cpu time spent up to now is 118.9 secs Computing kpt #: 334 total cpu time spent up to now is 119.1 secs Computing kpt #: 335 total cpu time spent up to now is 119.3 secs Computing kpt #: 336 total cpu time spent up to now is 119.6 secs Computing kpt #: 337 total cpu time spent up to now is 120.0 secs Computing kpt #: 338 total cpu time spent up to now is 120.3 secs Computing kpt #: 339 total cpu time spent up to now is 120.6 secs Computing kpt #: 340 total cpu time spent up to now is 120.8 secs Computing kpt #: 341 total cpu time spent up to now is 121.1 secs Computing kpt #: 342 total cpu time spent up to now is 121.3 secs Computing kpt #: 343 total cpu time spent up to now is 121.5 secs Computing kpt #: 344 total cpu time spent up to now is 121.7 secs Computing kpt #: 345 total cpu time spent up to now is 122.0 secs Computing kpt #: 346 total cpu time spent up to now is 122.2 secs Computing kpt #: 347 total cpu time spent up to now is 122.4 secs Computing kpt #: 348 total cpu time spent up to now is 122.6 secs Computing kpt #: 349 total cpu time spent up to now is 122.9 secs Computing kpt #: 350 total cpu time spent up to now is 123.1 secs Computing kpt #: 351 total cpu time spent up to now is 123.3 secs Computing kpt #: 352 total cpu time spent up to now is 123.6 secs Computing kpt #: 353 total cpu time spent up to now is 123.8 secs Computing kpt #: 354 total cpu time spent up to now is 124.0 secs Computing kpt #: 355 total cpu time spent up to now is 124.2 secs Computing kpt #: 356 total cpu time spent up to now is 124.5 secs Computing kpt #: 357 total cpu time spent up to now is 124.7 secs Computing kpt #: 358 total cpu time spent up to now is 124.9 secs Computing kpt #: 359 total cpu time spent up to now is 125.2 secs Computing kpt #: 360 total cpu time spent up to now is 125.4 secs Computing kpt #: 361 total cpu time spent up to now is 125.7 secs Computing kpt #: 362 total cpu time spent up to now is 126.0 secs Computing kpt #: 363 total cpu time spent up to now is 126.2 secs Computing kpt #: 364 total cpu time spent up to now is 126.5 secs Computing kpt #: 365 total cpu time spent up to now is 126.7 secs Computing kpt #: 366 total cpu time spent up to now is 126.9 secs Computing kpt #: 367 total cpu time spent up to now is 127.2 secs Computing kpt #: 368 total cpu time spent up to now is 127.5 secs Computing kpt #: 369 total cpu time spent up to now is 127.7 secs Computing kpt #: 370 total cpu time spent up to now is 127.9 secs Computing kpt #: 371 total cpu time spent up to now is 128.2 secs Computing kpt #: 372 total cpu time spent up to now is 128.4 secs ethr = 5.56E-11, avg # of iterations = 14.0 total cpu time spent up to now is 128.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -8.2699 -8.2699 -8.2699 -8.2699 -7.8452 -7.8452 -7.7917 -7.7917 -7.7917 -7.7917 -6.0025 -6.0025 6.5063 6.5063 6.8416 6.8416 6.8416 6.8416 7.2684 7.2684 10.3343 10.3343 10.5282 10.5282 10.5282 10.5282 k = 0.0089-0.0052 0.0073 ( 1459 PWs) bands (ev): -8.2700 -8.2700 -8.2697 -8.2697 -7.8452 -7.8452 -7.7919 -7.7919 -7.7916 -7.7916 -6.0013 -6.0013 6.4922 6.4922 6.8039 6.8039 6.8369 6.8369 7.3159 7.3159 10.3369 10.3369 10.5270 10.5270 10.5339 10.5339 k = 0.0179-0.0103 0.0146 ( 1459 PWs) bands (ev): -8.2702 -8.2702 -8.2696 -8.2696 -7.8453 -7.8453 -7.7921 -7.7921 -7.7914 -7.7914 -5.9975 -5.9975 6.4457 6.4457 6.7281 6.7281 6.8230 6.8230 7.4254 7.4254 10.3430 10.3430 10.5254 10.5254 10.5508 10.5508 k = 0.0268-0.0155 0.0219 ( 1459 PWs) bands (ev): -8.2704 -8.2704 -8.2695 -8.2695 -7.8454 -7.8454 -7.7923 -7.7923 -7.7913 -7.7913 -5.9911 -5.9911 6.3614 6.3614 6.6570 6.6570 6.8002 6.8002 7.5596 7.5596 10.3466 10.3466 10.5292 10.5292 10.5788 10.5788 k = 0.0357-0.0206 0.0292 ( 1463 PWs) bands (ev): -8.2707 -8.2707 -8.2693 -8.2693 -7.8456 -7.8456 -7.7925 -7.7925 -7.7912 -7.7912 -5.9823 -5.9823 6.2453 6.2453 6.5996 6.5996 6.7690 6.7690 7.7037 7.7037 10.3396 10.3396 10.5469 10.5469 10.6175 10.6175 k = 0.0446-0.0258 0.0365 ( 1463 PWs) bands (ev): -8.2711 -8.2711 -8.2691 -8.2691 -7.8457 -7.8457 -7.7927 -7.7927 -7.7912 -7.7912 -5.9709 -5.9709 6.1104 6.1104 6.5489 6.5489 6.7300 6.7300 7.8520 7.8520 10.3173 10.3173 10.5830 10.5830 10.6664 10.6664 k = 0.0536-0.0309 0.0437 ( 1463 PWs) bands (ev): -8.2715 -8.2715 -8.2689 -8.2689 -7.8460 -7.8460 -7.7929 -7.7929 -7.7911 -7.7911 -5.9570 -5.9570 5.9658 5.9658 6.4987 6.4987 6.6839 6.6839 8.0021 8.0021 10.2816 10.2816 10.6361 10.6361 10.7249 10.7249 k = 0.0625-0.0361 0.0510 ( 1463 PWs) bands (ev): -8.2720 -8.2720 -8.2687 -8.2687 -7.8462 -7.8462 -7.7931 -7.7931 -7.7910 -7.7910 -5.9406 -5.9406 5.8162 5.8162 6.4461 6.4461 6.6315 6.6315 8.1522 8.1522 10.2360 10.2360 10.7028 10.7028 10.7924 10.7924 k = 0.0714-0.0412 0.0583 ( 1463 PWs) bands (ev): -8.2725 -8.2725 -8.2684 -8.2684 -7.8465 -7.8465 -7.7933 -7.7933 -7.7910 -7.7910 -5.9218 -5.9218 5.6639 5.6639 6.3903 6.3903 6.5736 6.5736 8.3013 8.3013 10.1833 10.1833 10.7806 10.7806 10.8683 10.8683 k = 0.0804-0.0464 0.0656 ( 1463 PWs) bands (ev): -8.2731 -8.2731 -8.2681 -8.2681 -7.8469 -7.8469 -7.7935 -7.7935 -7.7910 -7.7910 -5.9005 -5.9005 5.5101 5.5101 6.3309 6.3309 6.5109 6.5109 8.4483 8.4483 10.1256 10.1256 10.8676 10.8676 10.9519 10.9519 k = 0.0893-0.0515 0.0729 ( 1471 PWs) bands (ev): -8.2738 -8.2738 -8.2679 -8.2679 -7.8473 -7.8473 -7.7937 -7.7937 -7.7910 -7.7910 -5.8768 -5.8768 5.3554 5.3554 6.2682 6.2682 6.4442 6.4442 8.5922 8.5922 10.0647 10.0647 10.9625 10.9625 11.0425 11.0425 k = 0.0982-0.0567 0.0802 ( 1467 PWs) bands (ev): -8.2745 -8.2745 -8.2675 -8.2675 -7.8477 -7.8477 -7.7939 -7.7939 -7.7910 -7.7910 -5.8507 -5.8507 5.2005 5.2005 6.2027 6.2027 6.3742 6.3742 8.7318 8.7318 10.0022 10.0022 11.0645 11.0645 11.1395 11.1395 k = 0.1071-0.0619 0.0875 ( 1467 PWs) bands (ev): -8.2752 -8.2752 -8.2671 -8.2671 -7.8481 -7.8481 -7.7940 -7.7940 -7.7910 -7.7910 -5.8221 -5.8221 5.0454 5.0454 6.1346 6.1346 6.3015 6.3015 8.8652 8.8652 9.9400 9.9400 11.1727 11.1727 11.2425 11.2425 k = 0.1161-0.0670 0.0948 ( 1479 PWs) bands (ev): -8.2761 -8.2761 -8.2668 -8.2668 -7.8487 -7.8487 -7.7941 -7.7941 -7.7910 -7.7910 -5.7913 -5.7913 4.8905 4.8905 6.0644 6.0644 6.2267 6.2267 8.9900 8.9900 9.8806 9.8806 11.2862 11.2862 11.3507 11.3507 k = 0.1250-0.0722 0.1021 ( 1483 PWs) bands (ev): -8.2769 -8.2769 -8.2663 -8.2663 -7.8493 -7.8493 -7.7941 -7.7941 -7.7911 -7.7911 -5.7581 -5.7581 4.7359 4.7359 5.9926 5.9926 6.1502 6.1502 9.1021 9.1021 9.8278 9.8278 11.4046 11.4046 11.4638 11.4638 k = 0.1339-0.0773 0.1094 ( 1483 PWs) bands (ev): -8.2779 -8.2779 -8.2659 -8.2659 -7.8498 -7.8498 -7.7941 -7.7941 -7.7911 -7.7911 -5.7226 -5.7226 4.5816 4.5816 5.9195 5.9195 6.0726 6.0726 9.1946 9.1946 9.7880 9.7880 11.5274 11.5274 11.5812 11.5812 k = 0.1429-0.0825 0.1166 ( 1491 PWs) bands (ev): -8.2788 -8.2788 -8.2654 -8.2654 -7.8505 -7.8505 -7.7941 -7.7941 -7.7911 -7.7911 -5.6849 -5.6849 4.4279 4.4279 5.8455 5.8455 5.9942 5.9942 9.2574 9.2574 9.7706 9.7706 11.6540 11.6540 11.7026 11.7026 k = 0.1518-0.0876 0.1239 ( 1483 PWs) bands (ev): -8.2798 -8.2798 -8.2649 -8.2649 -7.8510 -7.8510 -7.7940 -7.7940 -7.7911 -7.7911 -5.6450 -5.6450 4.2746 4.2746 5.7710 5.7710 5.9154 5.9154 9.2818 9.2818 9.7838 9.7838 11.7841 11.7841 11.8277 11.8277 k = 0.1607-0.0928 0.1312 ( 1491 PWs) bands (ev): -8.2809 -8.2809 -8.2644 -8.2644 -7.8517 -7.8517 -7.7938 -7.7938 -7.7911 -7.7911 -5.6028 -5.6028 4.1220 4.1220 5.6961 5.6961 5.8365 5.8365 9.2697 9.2697 9.8243 9.8243 11.9173 11.9173 11.9560 11.9560 k = 0.1696-0.0979 0.1385 ( 1491 PWs) bands (ev): -8.2819 -8.2819 -8.2639 -8.2639 -7.8524 -7.8524 -7.7936 -7.7936 -7.7911 -7.7911 -5.5586 -5.5586 3.9699 3.9699 5.6213 5.6213 5.7578 5.7578 9.2331 9.2331 9.8793 9.8793 12.0532 12.0532 12.0873 12.0873 k = 0.1786-0.1031 0.1458 ( 1483 PWs) bands (ev): -8.2830 -8.2830 -8.2632 -8.2632 -7.8530 -7.8530 -7.7933 -7.7933 -7.7910 -7.7910 -5.5122 -5.5122 3.8186 3.8186 5.5467 5.5467 5.6796 5.6796 9.1829 9.1829 9.9368 9.9368 12.1915 12.1915 12.2213 12.2213 k = 0.1875-0.1083 0.1531 ( 1483 PWs) bands (ev): -8.2841 -8.2841 -8.2627 -8.2627 -7.8537 -7.8537 -7.7930 -7.7930 -7.7910 -7.7910 -5.4638 -5.4638 3.6681 3.6681 5.4726 5.4726 5.6020 5.6020 9.1257 9.1257 9.9891 9.9891 12.3320 12.3320 12.3578 12.3578 k = 0.1964-0.1134 0.1604 ( 1483 PWs) bands (ev): -8.2853 -8.2853 -8.2621 -8.2621 -7.8544 -7.8544 -7.7927 -7.7927 -7.7910 -7.7910 -5.4133 -5.4133 3.5183 3.5183 5.3992 5.3992 5.5253 5.5253 9.0653 9.0653 10.0315 10.0315 12.4743 12.4743 12.4967 12.4967 k = 0.2054-0.1186 0.1677 ( 1487 PWs) bands (ev): -8.2864 -8.2864 -8.2615 -8.2615 -7.8551 -7.8551 -7.7924 -7.7924 -7.7909 -7.7909 -5.3609 -5.3609 3.3694 3.3694 5.3266 5.3266 5.4496 5.4496 9.0036 9.0036 10.0616 10.0616 12.6181 12.6181 12.6378 12.6378 k = 0.2143-0.1237 0.1750 ( 1487 PWs) bands (ev): -8.2876 -8.2876 -8.2609 -8.2609 -7.8558 -7.8558 -7.7921 -7.7921 -7.7907 -7.7907 -5.3066 -5.3066 3.2214 3.2214 5.2551 5.2551 5.3751 5.3751 8.9418 8.9418 10.0781 10.0781 12.7631 12.7631 12.7811 12.7811 k = 0.2232-0.1289 0.1823 ( 1487 PWs) bands (ev): -8.2888 -8.2888 -8.2603 -8.2603 -7.8565 -7.8565 -7.7918 -7.7918 -7.7905 -7.7905 -5.2505 -5.2505 3.0743 3.0743 5.1847 5.1847 5.3020 5.3020 8.8807 8.8807 10.0805 10.0805 12.9090 12.9090 12.9265 12.9265 k = 0.2321-0.1340 0.1895 ( 1491 PWs) bands (ev): -8.2900 -8.2900 -8.2598 -8.2598 -7.8572 -7.8572 -7.7917 -7.7917 -7.7901 -7.7901 -5.1926 -5.1926 2.9283 2.9283 5.1156 5.1156 5.2303 5.2303 8.8209 8.8209 10.0692 10.0692 13.0556 13.0556 13.0739 13.0739 k = 0.2411-0.1392 0.1968 ( 1491 PWs) bands (ev): -8.2912 -8.2912 -8.2592 -8.2592 -7.8579 -7.8579 -7.7917 -7.7917 -7.7895 -7.7895 -5.1330 -5.1330 2.7833 2.7833 5.0480 5.0480 5.1602 5.1602 8.7626 8.7626 10.0450 10.0450 13.2028 13.2028 13.2232 13.2232 k = 0.2500-0.1443 0.2041 ( 1491 PWs) bands (ev): -8.2923 -8.2923 -8.2586 -8.2586 -7.8585 -7.8585 -7.7916 -7.7916 -7.7890 -7.7890 -5.0717 -5.0717 2.6395 2.6395 4.9819 4.9819 5.0918 5.0918 8.7062 8.7062 10.0091 10.0091 13.3507 13.3507 13.3740 13.3740 k = 0.2589-0.1495 0.2114 ( 1491 PWs) bands (ev): -8.2935 -8.2935 -8.2580 -8.2580 -7.8592 -7.8592 -7.7916 -7.7916 -7.7883 -7.7883 -5.0089 -5.0089 2.4970 2.4970 4.9174 4.9174 5.0252 5.0252 8.6519 8.6519 9.9630 9.9630 13.4993 13.4993 13.5260 13.5260 k = 0.2679-0.1546 0.2187 ( 1491 PWs) bands (ev): -8.2947 -8.2947 -8.2574 -8.2574 -7.8598 -7.8598 -7.7916 -7.7916 -7.7877 -7.7877 -4.9446 -4.9446 2.3557 2.3557 4.8547 4.8547 4.9604 4.9604 8.5997 8.5997 9.9083 9.9083 13.6486 13.6486 13.6790 13.6790 k = 0.2768-0.1598 0.2260 ( 1491 PWs) bands (ev): -8.2959 -8.2959 -8.2568 -8.2568 -7.8604 -7.8604 -7.7916 -7.7916 -7.7870 -7.7870 -4.8789 -4.8789 2.2159 2.2159 4.7938 4.7938 4.8976 4.8976 8.5500 8.5500 9.8466 9.8466 13.7986 13.7986 13.8328 13.8328 k = 0.2857-0.1650 0.2333 ( 1491 PWs) bands (ev): -8.2970 -8.2970 -8.2562 -8.2562 -7.8609 -7.8609 -7.7915 -7.7915 -7.7863 -7.7863 -4.8120 -4.8120 2.0777 2.0777 4.7348 4.7348 4.8368 4.8368 8.5027 8.5027 9.7792 9.7792 13.9493 13.9493 13.9874 13.9874 k = 0.2946-0.1701 0.2406 ( 1495 PWs) bands (ev): -8.2982 -8.2982 -8.2557 -8.2557 -7.8615 -7.8615 -7.7915 -7.7915 -7.7855 -7.7855 -4.7440 -4.7440 1.9410 1.9410 4.6778 4.6778 4.7781 4.7781 8.4580 8.4580 9.7075 9.7075 14.1005 14.1005 14.1424 14.1424 k = 0.3036-0.1753 0.2479 ( 1495 PWs) bands (ev): -8.2993 -8.2993 -8.2551 -8.2551 -7.8620 -7.8620 -7.7915 -7.7915 -7.7848 -7.7848 -4.6749 -4.6749 1.8062 1.8062 4.6228 4.6228 4.7216 4.7216 8.4160 8.4160 9.6328 9.6328 14.2522 14.2522 14.2979 14.2979 k = 0.3125-0.1804 0.2552 ( 1495 PWs) bands (ev): -8.3004 -8.3004 -8.2546 -8.2546 -7.8625 -7.8625 -7.7915 -7.7915 -7.7841 -7.7841 -4.6050 -4.6050 1.6734 1.6734 4.5698 4.5698 4.6672 4.6672 8.3767 8.3767 9.5560 9.5560 14.4043 14.4043 14.4536 14.4536 k = 0.3214-0.1856 0.2624 ( 1495 PWs) bands (ev): -8.3014 -8.3014 -8.2541 -8.2541 -7.8630 -7.8630 -7.7915 -7.7915 -7.7833 -7.7833 -4.5344 -4.5344 1.5426 1.5426 4.5191 4.5191 4.6150 4.6150 8.3402 8.3402 9.4780 9.4780 14.5567 14.5567 14.6094 14.6094 k = 0.3304-0.1907 0.2697 ( 1487 PWs) bands (ev): -8.3024 -8.3024 -8.2535 -8.2535 -7.8634 -7.8634 -7.7914 -7.7914 -7.7826 -7.7826 -4.4632 -4.4632 1.4142 1.4142 4.4705 4.4705 4.5652 4.5652 8.3065 8.3065 9.3996 9.3996 14.7092 14.7092 14.7651 14.7651 k = 0.3393-0.1959 0.2770 ( 1495 PWs) bands (ev): -8.3035 -8.3035 -8.2531 -8.2531 -7.8639 -7.8639 -7.7914 -7.7914 -7.7819 -7.7819 -4.3918 -4.3918 1.2883 1.2883 4.4242 4.4242 4.5177 4.5177 8.2757 8.2757 9.3213 9.3213 14.8617 14.8617 14.9205 14.9205 k = 0.3482-0.2010 0.2843 ( 1503 PWs) bands (ev): -8.3045 -8.3045 -8.2527 -8.2527 -7.8643 -7.8643 -7.7915 -7.7915 -7.7812 -7.7812 -4.3203 -4.3203 1.1652 1.1652 4.3801 4.3801 4.4726 4.4726 8.2479 8.2479 9.2439 9.2439 15.0138 15.0138 15.0753 15.0753 k = 0.3571-0.2062 0.2916 ( 1503 PWs) bands (ev): -8.3054 -8.3054 -8.2522 -8.2522 -7.8646 -7.8646 -7.7914 -7.7914 -7.7805 -7.7805 -4.2490 -4.2490 1.0451 1.0451 4.3384 4.3384 4.4298 4.4298 8.2231 8.2231 9.1678 9.1678 15.1654 15.1654 15.2294 15.2294 k = 0.3661-0.2114 0.2989 ( 1512 PWs) bands (ev): -8.3063 -8.3063 -8.2518 -8.2518 -7.8650 -7.8650 -7.7915 -7.7915 -7.7799 -7.7799 -4.1781 -4.1781 0.9284 0.9284 4.2991 4.2991 4.3895 4.3895 8.2012 8.2012 9.0932 9.0932 15.3162 15.3162 15.3825 15.3825 k = 0.3750-0.2165 0.3062 ( 1512 PWs) bands (ev): -8.3071 -8.3071 -8.2514 -8.2514 -7.8653 -7.8653 -7.7914 -7.7914 -7.7793 -7.7793 -4.1081 -4.1081 0.8154 0.8154 4.2621 4.2621 4.3517 4.3517 8.1824 8.1824 9.0207 9.0207 15.4659 15.4659 15.5341 15.5341 k = 0.3839-0.2217 0.3135 ( 1512 PWs) bands (ev): -8.3079 -8.3079 -8.2511 -8.2511 -7.8656 -7.8656 -7.7914 -7.7914 -7.7787 -7.7787 -4.0392 -4.0392 0.7064 0.7064 4.2276 4.2276 4.3164 4.3164 8.1666 8.1666 8.9504 8.9504 15.6139 15.6139 15.6837 15.6837 k = 0.3929-0.2268 0.3208 ( 1512 PWs) bands (ev): -8.3086 -8.3086 -8.2507 -8.2507 -7.8659 -7.8659 -7.7914 -7.7914 -7.7781 -7.7781 -3.9719 -3.9719 0.6020 0.6020 4.1955 4.1955 4.2836 4.2836 8.1539 8.1539 8.8827 8.8827 15.7598 15.7598 15.8310 15.8310 k = 0.4018-0.2320 0.3281 ( 1524 PWs) bands (ev): -8.3094 -8.3094 -8.2504 -8.2504 -7.8662 -7.8662 -7.7914 -7.7914 -7.7776 -7.7776 -3.9067 -3.9067 0.5025 0.5025 4.1659 4.1659 4.2533 4.2533 8.1443 8.1443 8.8177 8.8177 15.9028 15.9028 15.9750 15.9750 k = 0.4107-0.2371 0.3353 ( 1516 PWs) bands (ev): -8.3100 -8.3100 -8.2501 -8.2501 -7.8663 -7.8663 -7.7913 -7.7913 -7.7770 -7.7770 -3.8440 -3.8440 0.4085 0.4085 4.1388 4.1388 4.2256 4.2256 8.1377 8.1377 8.7556 8.7556 16.0424 16.0424 16.1151 16.1151 k = 0.4196-0.2423 0.3426 ( 1516 PWs) bands (ev): -8.3105 -8.3105 -8.2498 -8.2498 -7.8665 -7.8665 -7.7913 -7.7913 -7.7765 -7.7765 -3.7844 -3.7844 0.3205 0.3205 4.1142 4.1142 4.2005 4.2005 8.1340 8.1340 8.6967 8.6967 16.1775 16.1775 16.2503 16.2503 k = 0.4286-0.2474 0.3499 ( 1516 PWs) bands (ev): -8.3111 -8.3111 -8.2496 -8.2496 -7.8667 -7.8667 -7.7913 -7.7913 -7.7761 -7.7761 -3.7285 -3.7285 0.2392 0.2392 4.0922 4.0922 4.1780 4.1780 8.1334 8.1334 8.6411 8.6411 16.3068 16.3068 16.3792 16.3792 k = 0.4375-0.2526 0.3572 ( 1508 PWs) bands (ev): -8.3115 -8.3115 -8.2493 -8.2493 -7.8668 -7.8668 -7.7913 -7.7913 -7.7757 -7.7757 -3.6770 -3.6770 0.1652 0.1652 4.0727 4.0727 4.1581 4.1581 8.1356 8.1356 8.5891 8.5891 16.4291 16.4291 16.5005 16.5005 k = 0.4464-0.2577 0.3645 ( 1508 PWs) bands (ev): -8.3119 -8.3119 -8.2492 -8.2492 -7.8669 -7.8669 -7.7912 -7.7912 -7.7753 -7.7753 -3.6304 -3.6304 0.0991 0.0991 4.0558 4.0558 4.1409 4.1409 8.1404 8.1404 8.5409 8.5409 16.5424 16.5424 16.6122 16.6122 k = 0.4554-0.2629 0.3718 ( 1520 PWs) bands (ev): -8.3123 -8.3123 -8.2491 -8.2491 -7.8671 -7.8671 -7.7913 -7.7913 -7.7751 -7.7751 -3.5896 -3.5896 0.0418 0.0418 4.0415 4.0415 4.1262 4.1262 8.1476 8.1476 8.4968 8.4968 16.6448 16.6448 16.7125 16.7125 k = 0.4643-0.2681 0.3791 ( 1516 PWs) bands (ev): -8.3125 -8.3125 -8.2489 -8.2489 -7.8671 -7.8671 -7.7912 -7.7912 -7.7748 -7.7748 -3.5550 -3.5550 -0.0063 -0.0063 4.0297 4.0297 4.1142 4.1142 8.1568 8.1568 8.4574 8.4574 16.7340 16.7340 16.7990 16.7990 k = 0.4732-0.2732 0.3864 ( 1524 PWs) bands (ev): -8.3128 -8.3128 -8.2489 -8.2489 -7.8672 -7.8672 -7.7913 -7.7913 -7.7747 -7.7747 -3.5274 -3.5274 -0.0444 -0.0444 4.0206 4.0206 4.1049 4.1049 8.1670 8.1670 8.4236 8.4236 16.8073 16.8073 16.8695 16.8695 k = 0.4821-0.2784 0.3937 ( 1524 PWs) bands (ev): -8.3129 -8.3129 -8.2488 -8.2488 -7.8673 -7.8673 -7.7913 -7.7913 -7.7745 -7.7745 -3.5073 -3.5073 -0.0720 -0.0720 4.0140 4.0140 4.0983 4.0983 8.1771 8.1771 8.3967 8.3967 16.8622 16.8622 16.9217 16.9217 k = 0.4911-0.2835 0.4010 ( 1524 PWs) bands (ev): -8.3130 -8.3130 -8.2487 -8.2487 -7.8673 -7.8673 -7.7913 -7.7913 -7.7745 -7.7745 -3.4951 -3.4951 -0.0888 -0.0888 4.0101 4.0101 4.0943 4.0943 8.1847 8.1847 8.3789 8.3789 16.8962 16.8962 16.9537 16.9537 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -8.3131 -8.3131 -8.2487 -8.2487 -7.8673 -7.8673 -7.7913 -7.7913 -7.7744 -7.7744 -3.4910 -3.4910 -0.0944 -0.0944 4.0088 4.0088 4.0929 4.0929 8.1877 8.1877 8.3726 8.3726 16.9078 16.9078 16.9646 16.9646 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -8.3131 -8.3131 -8.2487 -8.2487 -7.8673 -7.8673 -7.7913 -7.7913 -7.7744 -7.7744 -3.4910 -3.4910 -0.0944 -0.0944 4.0088 4.0088 4.0929 4.0929 8.1877 8.1877 8.3726 8.3726 16.9078 16.9078 16.9646 16.9646 k = 0.5000-0.2784 0.4155 ( 1524 PWs) bands (ev): -8.3144 -8.3117 -8.2490 -8.2484 -7.8695 -7.8652 -7.7916 -7.7909 -7.7750 -7.7739 -3.4908 -3.4908 -0.0951 -0.0926 4.0020 4.0097 4.0879 4.0918 8.1924 8.1958 8.3760 8.3823 16.8758 16.9127 16.9462 16.9577 k = 0.5000-0.2681 0.4228 ( 1524 PWs) bands (ev): -8.3157 -8.3104 -8.2493 -8.2481 -7.8716 -7.8631 -7.7919 -7.7906 -7.7757 -7.7734 -3.4903 -3.4902 -0.0949 -0.0897 3.9894 4.0047 4.0770 4.0846 8.2099 8.2166 8.3925 8.4051 16.8204 16.8859 16.9016 16.9284 k = 0.5000-0.2577 0.4301 ( 1520 PWs) bands (ev): -8.3169 -8.3090 -8.2495 -8.2478 -7.8738 -7.8609 -7.7922 -7.7902 -7.7763 -7.7730 -3.4894 -3.4893 -0.0936 -0.0859 3.9711 3.9941 4.0605 4.0716 8.2400 8.2500 8.4219 8.4406 16.7438 16.8261 16.8310 16.8773 k = 0.5000-0.2474 0.4374 ( 1516 PWs) bands (ev): -8.3182 -8.3076 -8.2497 -8.2475 -7.8759 -7.8589 -7.7925 -7.7898 -7.7771 -7.7726 -3.4881 -3.4881 -0.0914 -0.0810 3.9475 3.9781 4.0388 4.0530 8.2825 8.2956 8.4639 8.4885 16.6476 16.7361 16.7372 16.8022 k = 0.5000-0.2371 0.4447 ( 1516 PWs) bands (ev): -8.3194 -8.3062 -8.2499 -8.2472 -7.8781 -7.8568 -7.7927 -7.7894 -7.7779 -7.7723 -3.4866 -3.4865 -0.0882 -0.0752 3.9188 3.9571 4.0125 4.0294 8.3368 8.3529 8.5180 8.5483 16.5331 16.6191 16.6234 16.7026 k = 0.5000-0.2268 0.4520 ( 1514 PWs) bands (ev): -8.3205 -8.3048 -8.2501 -8.2469 -7.8803 -7.8548 -7.7930 -7.7889 -7.7788 -7.7720 -3.4847 -3.4846 -0.0841 -0.0685 3.8856 3.9315 3.9822 4.0014 8.4026 8.4215 8.5837 8.6194 16.4014 16.4832 16.4879 16.5808 k = 0.5000-0.2165 0.4593 ( 1518 PWs) bands (ev): -8.3217 -8.3036 -8.2502 -8.2465 -7.8825 -7.8528 -7.7932 -7.7885 -7.7797 -7.7718 -3.4825 -3.4824 -0.0791 -0.0609 3.8484 3.9017 3.9486 3.9697 8.4792 8.5007 8.6604 8.7011 16.2532 16.3320 16.3338 16.4400 k = 0.5000-0.2062 0.4666 ( 1516 PWs) bands (ev): -8.3228 -8.3022 -8.2503 -8.2462 -7.8847 -7.8508 -7.7934 -7.7880 -7.7807 -7.7717 -3.4801 -3.4800 -0.0733 -0.0526 3.8078 3.8682 3.9125 3.9351 8.5662 8.5901 8.7474 8.7928 16.0893 16.1638 16.1691 16.2835 k = 0.5000-0.1959 0.4739 ( 1518 PWs) bands (ev): -8.3239 -8.3009 -8.2504 -8.2459 -7.8868 -7.8488 -7.7937 -7.7876 -7.7817 -7.7716 -3.4775 -3.4773 -0.0667 -0.0434 3.7644 3.8315 3.8743 3.8983 8.6629 8.6890 8.8439 8.8938 15.9111 15.9807 15.9976 16.1144 k = 0.5000-0.1856 0.4811 ( 1514 PWs) bands (ev): -8.3248 -8.2996 -8.2505 -8.2455 -7.8889 -7.8469 -7.7938 -7.7870 -7.7828 -7.7715 -3.4746 -3.4744 -0.0595 -0.0336 3.7187 3.7922 3.8348 3.8600 8.7687 8.7968 8.9494 9.0035 15.7206 15.7870 15.8193 15.9351 k = 0.5000-0.1753 0.4884 ( 1510 PWs) bands (ev): -8.3258 -8.2984 -8.2505 -8.2452 -7.8909 -7.8449 -7.7940 -7.7865 -7.7839 -7.7715 -3.4716 -3.4714 -0.0517 -0.0233 3.6715 3.7509 3.7946 3.8211 8.8830 8.9131 9.0632 9.1212 15.5203 15.5846 15.6354 15.7479 k = 0.5000-0.1650 0.4957 ( 1512 PWs) bands (ev): -8.3267 -8.2972 -8.2505 -8.2449 -7.8930 -7.8430 -7.7942 -7.7860 -7.7851 -7.7715 -3.4684 -3.4682 -0.0434 -0.0124 3.6234 3.7080 3.7542 3.7819 9.0054 9.0371 9.1845 9.2462 15.3126 15.3757 15.4467 15.5545 k = 0.5000-0.1546 0.5030 ( 1510 PWs) bands (ev): -8.3275 -8.2961 -8.2505 -8.2446 -7.8949 -7.8411 -7.7944 -7.7863 -7.7855 -7.7716 -3.4652 -3.4649 -0.0347 -0.0013 3.5750 3.6644 3.7141 3.7431 9.1351 9.1684 9.3127 9.3780 15.0995 15.1617 15.2540 15.3564 k = 0.5000-0.1443 0.5103 ( 1514 PWs) bands (ev): -8.3284 -8.2950 -8.2504 -8.2444 -7.8968 -7.8393 -7.7947 -7.7875 -7.7849 -7.7718 -3.4619 -3.4616 -0.0257 0.0102 3.5268 3.6205 3.6747 3.7050 9.2718 9.3066 9.4471 9.5160 14.8825 14.9441 15.0581 15.1548 k = 0.5000-0.1340 0.5176 ( 1510 PWs) bands (ev): -8.3291 -8.2940 -8.2504 -8.2441 -7.8986 -7.8374 -7.7949 -7.7887 -7.7844 -7.7719 -3.4586 -3.4583 -0.0165 0.0217 3.4794 3.5771 3.6365 3.6680 9.4150 9.4510 9.5872 9.6595 14.6628 14.7241 14.8601 14.9509 k = 0.5000-0.1237 0.5249 ( 1506 PWs) bands (ev): -8.3298 -8.2930 -8.2502 -8.2438 -7.9003 -7.8356 -7.7951 -7.7899 -7.7838 -7.7721 -3.4553 -3.4550 -0.0073 0.0333 3.4334 3.5346 3.5997 3.6325 9.5641 9.6014 9.7324 9.8080 14.4415 14.5025 14.6608 14.7455 k = 0.5000-0.1134 0.5322 ( 1506 PWs) bands (ev): -8.3304 -8.2922 -8.2501 -8.2436 -7.9020 -7.8338 -7.7955 -7.7911 -7.7832 -7.7723 -3.4522 -3.4518 0.0018 0.0446 3.3892 3.4936 3.5648 3.5988 9.7186 9.7572 9.8818 9.9608 14.2195 14.2804 14.4610 14.5397 k = 0.5000-0.1031 0.5395 ( 1510 PWs) bands (ev): -8.3310 -8.2914 -8.2500 -8.2434 -7.9035 -7.8320 -7.7960 -7.7921 -7.7827 -7.7726 -3.4491 -3.4487 0.0107 0.0557 3.3472 3.4546 3.5320 3.5671 9.8781 9.9180 10.0350 10.1173 13.9974 14.0583 14.2617 14.3342 k = 0.5000-0.0928 0.5468 ( 1510 PWs) bands (ev): -8.3315 -8.2906 -8.2499 -8.2432 -7.9050 -7.8303 -7.7967 -7.7929 -7.7821 -7.7729 -3.4462 -3.4457 0.0192 0.0663 3.3080 3.4180 3.5015 3.5377 10.0420 10.0833 10.1910 10.2768 13.7761 13.8371 14.0641 14.1301 k = 0.5000-0.0825 0.5541 ( 1510 PWs) bands (ev): -8.3320 -8.2900 -8.2498 -8.2430 -7.9063 -7.8286 -7.7977 -7.7935 -7.7816 -7.7732 -3.4435 -3.4430 0.0273 0.0763 3.2718 3.3842 3.4737 3.5108 10.2095 10.2526 10.3492 10.4382 13.5560 13.6175 13.8691 13.9285 k = 0.5000-0.0722 0.5613 ( 1506 PWs) bands (ev): -8.3324 -8.2894 -8.2496 -8.2428 -7.9074 -7.8269 -7.7987 -7.7938 -7.7810 -7.7736 -3.4410 -3.4405 0.0348 0.0856 3.2389 3.3535 3.4487 3.4866 10.3797 10.4253 10.5086 10.6004 13.3380 13.4002 13.6785 13.7305 k = 0.5000-0.0619 0.5686 ( 1510 PWs) bands (ev): -8.3328 -8.2889 -8.2495 -8.2427 -7.9085 -7.8254 -7.8000 -7.7941 -7.7804 -7.7740 -3.4388 -3.4382 0.0416 0.0939 3.2098 3.3263 3.4267 3.4653 10.5508 10.6004 10.6681 10.7617 13.1227 13.1862 13.4940 13.5381 k = 0.5000-0.0515 0.5759 ( 1510 PWs) bands (ev): -8.3331 -8.2885 -8.2494 -8.2425 -7.9094 -7.8239 -7.8012 -7.7942 -7.7799 -7.7744 -3.4368 -3.4362 0.0476 0.1012 3.1847 3.3028 3.4078 3.4470 10.7199 10.7768 10.8274 10.9198 12.9114 12.9768 13.3185 13.3536 k = 0.5000-0.0412 0.5832 ( 1510 PWs) bands (ev): -8.3334 -8.2882 -8.2493 -8.2424 -7.9101 -7.8225 -7.8024 -7.7944 -7.7793 -7.7748 -3.4352 -3.4346 0.0526 0.1074 3.1639 3.2833 3.3922 3.4319 10.8808 10.9523 10.9866 11.0708 12.7057 12.7742 13.1560 13.1809 k = 0.5000-0.0309 0.5905 ( 1510 PWs) bands (ev): -8.3336 -8.2879 -8.2492 -8.2424 -7.9107 -7.8213 -7.8035 -7.7944 -7.7788 -7.7752 -3.4339 -3.4333 0.0566 0.1123 3.1474 3.2679 3.3800 3.4200 11.0239 11.1230 11.1465 11.2089 12.5090 12.5825 13.0124 13.0259 k = 0.5000-0.0206 0.5978 ( 1502 PWs) bands (ev): -8.3337 -8.2877 -8.2491 -8.2422 -7.9111 -7.8203 -7.8043 -7.7944 -7.7783 -7.7755 -3.4330 -3.4324 0.0595 0.1159 3.1356 3.2568 3.3712 3.4115 11.1381 11.2800 11.3018 11.3247 12.3288 12.4104 12.8964 12.8981 k = 0.5000-0.0103 0.6051 ( 1500 PWs) bands (ev): -8.3338 -8.2875 -8.2491 -8.2422 -7.9113 -7.8196 -7.8049 -7.7944 -7.7780 -7.7758 -3.4324 -3.4318 0.0613 0.1181 3.1284 3.2500 3.3659 3.4063 11.2132 11.4015 11.4063 11.4321 12.1844 12.2779 12.8111 12.8193 k = 0.5000 0.0000 0.6124 ( 1480 PWs) bands (ev): -8.3337 -8.2874 -8.2489 -8.2421 -7.9113 -7.8193 -7.8050 -7.7944 -7.7777 -7.7759 -3.4322 -3.4316 0.0619 0.1188 3.1260 3.2478 3.3641 3.4046 11.2397 11.4330 11.4543 11.4892 12.1231 12.2245 12.7798 12.7920 k = 0.5000 0.0000 0.6124 ( 1480 PWs) bands (ev): -8.3337 -8.2874 -8.2489 -8.2421 -7.9113 -7.8193 -7.8050 -7.7944 -7.7777 -7.7759 -3.4322 -3.4316 0.0619 0.1188 3.1260 3.2478 3.3641 3.4046 11.2397 11.4330 11.4543 11.4892 12.1231 12.2245 12.7798 12.7920 k = 0.4938 0.0108 0.6124 ( 1503 PWs) bands (ev): -8.3338 -8.2875 -8.2491 -8.2422 -7.9114 -7.8195 -7.8050 -7.7945 -7.7779 -7.7759 -3.4331 -3.4325 0.0623 0.1191 3.1220 3.2377 3.3775 3.4133 11.2082 11.3701 11.4439 11.5051 12.1541 12.2498 12.7996 12.8145 k = 0.4875 0.0217 0.6124 ( 1507 PWs) bands (ev): -8.3337 -8.2876 -8.2492 -8.2422 -7.9112 -7.8199 -7.8048 -7.7945 -7.7781 -7.7758 -3.4356 -3.4350 0.0632 0.1198 3.1101 3.2138 3.4113 3.4392 11.1072 11.2247 11.4391 11.5239 12.2362 12.3208 12.8538 12.8712 k = 0.4813 0.0325 0.6124 ( 1507 PWs) bands (ev): -8.3336 -8.2877 -8.2493 -8.2422 -7.9109 -7.8205 -7.8044 -7.7945 -7.7784 -7.7755 -3.4395 -3.4390 0.0644 0.1207 3.0921 3.1849 3.4567 3.4801 10.9560 11.0444 11.4403 11.5338 12.3479 12.4229 12.9334 12.9512 k = 0.4750 0.0433 0.6124 ( 1507 PWs) bands (ev): -8.3334 -8.2878 -8.2494 -8.2422 -7.9106 -7.8212 -7.8038 -7.7945 -7.7787 -7.7752 -3.4445 -3.4440 0.0657 0.1216 3.0704 3.1550 3.5101 3.5324 10.7793 10.8491 11.4412 11.5358 12.4758 12.5437 13.0310 13.0486 k = 0.4688 0.0541 0.6124 ( 1505 PWs) bands (ev): -8.3332 -8.2879 -8.2496 -8.2422 -7.9101 -7.8220 -7.8032 -7.7946 -7.7790 -7.7749 -3.4504 -3.4500 0.0670 0.1224 3.0470 3.1254 3.5703 3.5929 10.5910 10.6484 11.4395 11.5320 12.6135 12.6763 13.1414 13.1593 k = 0.4625 0.0650 0.6124 ( 1507 PWs) bands (ev): -8.3329 -8.2881 -8.2499 -8.2422 -7.9095 -7.8230 -7.8026 -7.7946 -7.7793 -7.7746 -3.4570 -3.4566 0.0681 0.1230 3.0230 3.0969 3.6365 3.6596 10.3988 10.4474 11.4350 11.5242 12.7577 12.8168 13.2609 13.2800 k = 0.4562 0.0758 0.6124 ( 1505 PWs) bands (ev): -8.3327 -8.2883 -8.2501 -8.2422 -7.9089 -7.8240 -7.8019 -7.7946 -7.7795 -7.7743 -3.4640 -3.4637 0.0690 0.1234 2.9994 3.0698 3.7075 3.7309 10.2071 10.2490 11.4282 11.5138 12.9065 12.9629 13.3868 13.4081 k = 0.4500 0.0866 0.6124 ( 1503 PWs) bands (ev): -8.3323 -8.2886 -8.2504 -8.2421 -7.9082 -7.8251 -7.8012 -7.7946 -7.7798 -7.7740 -3.4712 -3.4710 0.0696 0.1235 2.9767 3.0444 3.7825 3.8057 10.0188 10.0555 11.4197 11.5018 13.0590 13.1132 13.5172 13.5414 k = 0.4437 0.0974 0.6124 ( 1505 PWs) bands (ev): -8.3320 -8.2889 -8.2507 -8.2421 -7.9075 -7.8262 -7.8006 -7.7946 -7.7801 -7.7738 -3.4785 -3.4784 0.0700 0.1233 2.9551 3.0207 3.8600 3.8827 9.8361 9.8685 11.4102 11.4891 13.2143 13.2669 13.6504 13.6780 k = 0.4375 0.1083 0.6124 ( 1504 PWs) bands (ev): -8.3317 -8.2891 -8.2510 -8.2420 -7.9068 -7.8273 -7.7999 -7.7947 -7.7804 -7.7735 -3.4857 -3.4856 0.0702 0.1229 2.9350 2.9989 3.9390 3.9609 9.6608 9.6896 11.4003 11.4763 13.3719 13.4232 13.7847 13.8160 k = 0.4313 0.1191 0.6124 ( 1504 PWs) bands (ev): -8.3313 -8.2894 -8.2513 -8.2420 -7.9060 -7.8284 -7.7993 -7.7947 -7.7806 -7.7732 -3.4927 -3.4927 0.0701 0.1222 2.9164 2.9790 4.0181 4.0388 9.4946 9.5203 11.3903 11.4639 13.5314 13.5816 13.9186 13.9539 k = 0.4250 0.1299 0.6124 ( 1506 PWs) bands (ev): -8.3310 -8.2897 -8.2516 -8.2419 -7.9053 -7.8294 -7.7987 -7.7948 -7.7808 -7.7730 -3.4993 -3.4993 0.0699 0.1215 2.8996 2.9611 4.0958 4.1151 9.3392 9.3619 11.3807 11.4521 13.6921 13.7414 14.0503 14.0899 k = 0.4188 0.1407 0.6124 ( 1512 PWs) bands (ev): -8.3307 -8.2901 -8.2519 -8.2419 -7.9046 -7.8304 -7.7982 -7.7949 -7.7810 -7.7728 -3.5054 -3.5053 0.0695 0.1207 2.8846 2.9452 4.1707 4.1883 9.1961 9.2161 11.3716 11.4412 13.8536 13.9021 14.1778 14.2220 k = 0.4125 0.1516 0.6124 ( 1510 PWs) bands (ev): -8.3304 -8.2903 -8.2522 -8.2418 -7.9039 -7.8313 -7.7977 -7.7949 -7.7812 -7.7727 -3.5110 -3.5108 0.0690 0.1198 2.8715 2.9313 4.2409 4.2567 9.0671 9.0845 11.3634 11.4314 14.0150 14.0626 14.2988 14.3482 k = 0.4062 0.1624 0.6124 ( 1510 PWs) bands (ev): -8.3301 -8.2906 -8.2524 -8.2418 -7.9033 -7.8321 -7.7973 -7.7950 -7.7813 -7.7725 -3.5158 -3.5156 0.0686 0.1190 2.8603 2.9195 4.3049 4.3185 8.9540 8.9688 11.3562 11.4230 14.1751 14.2219 14.4106 14.4660 k = 0.4000 0.1732 0.6124 ( 1507 PWs) bands (ev): -8.3298 -8.2908 -8.2526 -8.2418 -7.9027 -7.8328 -7.7969 -7.7951 -7.7814 -7.7724 -3.5198 -3.5196 0.0681 0.1182 2.8511 2.9099 4.3607 4.3720 8.8586 8.8708 11.3502 11.4159 14.3312 14.3779 14.5100 14.5730 k = 0.3937 0.1840 0.6124 ( 1506 PWs) bands (ev): -8.3296 -8.2910 -8.2527 -8.2417 -7.9023 -7.8333 -7.7965 -7.7952 -7.7815 -7.7723 -3.5230 -3.5228 0.0677 0.1176 2.8439 2.9024 4.4067 4.4154 8.7825 8.7921 11.3454 11.4103 14.4777 14.5273 14.5935 14.6679 k = 0.3875 0.1949 0.6124 ( 1507 PWs) bands (ev): -8.3295 -8.2911 -8.2528 -8.2417 -7.9020 -7.8337 -7.7962 -7.7953 -7.7816 -7.7722 -3.5253 -3.5251 0.0674 0.1171 2.8388 2.8970 4.4412 4.4473 8.7272 8.7343 11.3419 11.4063 14.5998 14.6575 14.6654 14.7518 k = 0.3812 0.2057 0.6124 ( 1507 PWs) bands (ev): -8.3294 -8.2912 -8.2529 -8.2417 -7.9018 -7.8340 -7.7960 -7.7955 -7.7816 -7.7722 -3.5267 -3.5265 0.0672 0.1168 2.8357 2.8938 4.4630 4.4664 8.6938 8.6988 11.3398 11.4039 14.6738 14.7011 14.7794 14.8210 k = 0.3750 0.2165 0.6124 ( 1514 PWs) bands (ev): -8.3294 -8.2913 -8.2529 -8.2417 -7.9018 -7.8341 -7.7959 -7.7956 -7.7816 -7.7722 -3.5272 -3.5270 0.0671 0.1167 2.8346 2.8927 4.4707 4.4725 8.6827 8.6867 11.3390 11.4030 14.6952 14.7179 14.8386 14.8420 k = 0.3750 0.2165 0.6124 ( 1514 PWs) bands (ev): -8.3294 -8.2913 -8.2529 -8.2417 -7.9018 -7.8341 -7.7959 -7.7956 -7.7816 -7.7722 -3.5272 -3.5270 0.0671 0.1167 2.8346 2.8927 4.4707 4.4725 8.6827 8.6867 11.3390 11.4030 14.6952 14.7179 14.8386 14.8420 k = 0.3686 0.2128 0.6020 ( 1506 PWs) bands (ev): -8.3294 -8.2906 -8.2531 -8.2415 -7.9024 -7.8330 -7.7970 -7.7960 -7.7811 -7.7723 -3.5426 -3.5422 0.0868 0.1380 2.7970 2.8567 4.5125 4.5141 8.7223 8.7271 11.5593 11.6314 14.6001 14.6062 14.7009 14.7098 k = 0.3623 0.2092 0.5916 ( 1506 PWs) bands (ev): -8.3294 -8.2901 -8.2533 -8.2414 -7.9030 -7.8320 -7.7985 -7.7962 -7.7806 -7.7725 -3.5607 -3.5601 0.1084 0.1611 2.7666 2.8278 4.5560 4.5574 8.7632 8.7688 11.7734 11.8556 14.4955 14.5110 14.5713 14.5882 k = 0.3559 0.2055 0.5812 ( 1506 PWs) bands (ev): -8.3293 -8.2896 -8.2536 -8.2413 -7.9035 -7.8310 -7.7999 -7.7964 -7.7801 -7.7727 -3.5819 -3.5810 0.1323 0.1861 2.7436 2.8061 4.6011 4.6023 8.8051 8.8117 11.9774 12.0718 14.3787 14.4035 14.4782 14.4871 k = 0.3496 0.2018 0.5709 ( 1506 PWs) bands (ev): -8.3291 -8.2892 -8.2538 -8.2414 -7.9038 -7.8301 -7.8014 -7.7966 -7.7797 -7.7729 -3.6061 -3.6050 0.1586 0.2134 2.7281 2.7917 4.6477 4.6488 8.8480 8.8555 12.1658 12.2748 14.2537 14.2741 14.4116 14.4300 k = 0.3432 0.1982 0.5605 ( 1510 PWs) bands (ev): -8.3289 -8.2888 -8.2540 -8.2415 -7.9040 -7.8292 -7.8029 -7.7969 -7.7793 -7.7732 -3.6335 -3.6321 0.1877 0.2432 2.7199 2.7845 4.6957 4.6967 8.8917 8.9001 12.3320 12.4574 14.1248 14.1415 14.3572 14.4134 k = 0.3369 0.1945 0.5501 ( 1516 PWs) bands (ev): -8.3286 -8.2884 -8.2543 -8.2417 -7.9040 -7.8284 -7.8044 -7.7971 -7.7789 -7.7734 -3.6641 -3.6624 0.2198 0.2757 2.7191 2.7844 4.7452 4.7460 8.9360 8.9454 12.4689 12.6111 13.9951 14.0094 14.2996 14.4190 k = 0.3305 0.1908 0.5397 ( 1516 PWs) bands (ev): -8.3282 -8.2881 -8.2545 -8.2419 -7.9039 -7.8276 -7.8058 -7.7973 -7.7786 -7.7736 -3.6980 -3.6960 0.2552 0.3114 2.7254 2.7914 4.7959 4.7965 8.9806 8.9912 12.5709 12.7275 13.8661 13.8789 14.1962 14.3344 k = 0.3242 0.1871 0.5293 ( 1516 PWs) bands (ev): -8.3277 -8.2878 -8.2547 -8.2422 -7.9036 -7.8269 -7.8073 -7.7974 -7.7783 -7.7739 -3.7351 -3.7328 0.2941 0.3503 2.7388 2.8052 4.8479 4.8484 9.0254 9.0372 12.6362 12.8024 13.7384 13.7500 14.0626 14.1893 k = 0.3178 0.1835 0.5190 ( 1512 PWs) bands (ev): -8.3271 -8.2875 -8.2550 -8.2425 -7.9032 -7.8262 -7.8086 -7.7976 -7.7780 -7.7741 -3.7755 -3.7728 0.3369 0.3929 2.7589 2.8256 4.9009 4.9013 9.0701 9.0831 12.6677 12.8378 13.6124 13.6232 13.9210 14.0415 k = 0.3114 0.1798 0.5086 ( 1508 PWs) bands (ev): -8.3264 -8.2872 -8.2552 -8.2429 -7.9027 -7.8255 -7.8100 -7.7978 -7.7778 -7.7743 -3.8189 -3.8159 0.3836 0.4392 2.7856 2.8524 4.9550 4.9553 9.1143 9.1287 12.6717 12.8412 13.4884 13.4984 13.7783 13.8954 k = 0.3051 0.1761 0.4982 ( 1508 PWs) bands (ev): -8.3257 -8.2869 -8.2554 -8.2434 -7.9021 -7.8250 -7.8113 -7.7980 -7.7776 -7.7745 -3.8652 -3.8619 0.4345 0.4895 2.8186 2.8854 5.0101 5.0102 9.1578 9.1737 12.6554 12.8217 13.3663 13.3759 13.6366 13.7516 k = 0.2987 0.1725 0.4878 ( 1508 PWs) bands (ev): -8.3249 -8.2867 -8.2557 -8.2440 -7.9013 -7.8245 -7.8125 -7.7981 -7.7775 -7.7748 -3.9144 -3.9107 0.4896 0.5440 2.8575 2.9242 5.0660 5.0660 9.2003 9.2177 12.6253 12.7872 13.2465 13.2556 13.4967 13.6106 k = 0.2924 0.1688 0.4774 ( 1508 PWs) bands (ev): -8.3240 -8.2865 -8.2559 -8.2446 -7.9004 -7.8241 -7.8136 -7.7983 -7.7775 -7.7750 -3.9661 -3.9622 0.5491 0.6027 2.9022 2.9687 5.1225 5.1226 9.2413 9.2604 12.5865 12.7438 13.1289 13.1377 13.3592 13.4726 k = 0.2860 0.1651 0.4671 ( 1508 PWs) bands (ev): -8.3230 -8.2863 -8.2562 -8.2453 -7.8995 -7.8238 -7.8146 -7.7985 -7.7775 -7.7752 -4.0202 -4.0160 0.6130 0.6657 2.9524 3.0186 5.1796 5.1798 9.2804 9.3014 12.5427 12.6958 13.0136 13.0221 13.2243 13.3379 k = 0.2797 0.1615 0.4567 ( 1496 PWs) bands (ev): -8.3220 -8.2860 -8.2564 -8.2460 -7.8984 -7.8237 -7.8153 -7.7986 -7.7774 -7.7754 -4.0764 -4.0720 0.6815 0.7331 3.0077 3.0736 5.2373 5.2375 9.3173 9.3403 12.4967 12.6461 12.9007 12.9091 13.0923 13.2068 k = 0.2733 0.1578 0.4463 ( 1496 PWs) bands (ev): -8.3209 -8.2858 -8.2567 -8.2467 -7.8972 -7.8239 -7.8159 -7.7987 -7.7776 -7.7757 -4.1346 -4.1299 0.7544 0.8050 3.0679 3.1334 5.2953 5.2956 9.3515 9.3767 12.4501 12.5968 12.7903 12.7986 12.9636 13.0797 k = 0.2669 0.1541 0.4359 ( 1502 PWs) bands (ev): -8.3197 -8.2856 -8.2570 -8.2476 -7.8960 -7.8244 -7.8161 -7.7989 -7.7777 -7.7760 -4.1944 -4.1895 0.8318 0.8812 3.1328 3.1979 5.3535 5.3539 9.3825 9.4100 12.4040 12.5488 12.6823 12.6906 12.8387 12.9570 k = 0.2606 0.1505 0.4255 ( 1510 PWs) bands (ev): -8.3185 -8.2854 -8.2573 -8.2485 -7.8947 -7.8251 -7.8162 -7.7991 -7.7780 -7.7763 -4.2557 -4.2506 0.9136 0.9619 3.2022 3.2667 5.4119 5.4124 9.4100 9.4399 12.3587 12.5020 12.5769 12.5853 12.7189 12.8397 k = 0.2542 0.1468 0.4152 ( 1506 PWs) bands (ev): -8.3172 -8.2852 -8.2575 -8.2493 -7.8933 -7.8259 -7.8160 -7.7992 -7.7782 -7.7765 -4.3181 -4.3129 0.9998 1.0470 3.2757 3.3398 5.4703 5.4708 9.4336 9.4660 12.3136 12.4523 12.4758 12.4829 12.6080 12.7295 k = 0.2479 0.1431 0.4048 ( 1506 PWs) bands (ev): -8.3158 -8.2849 -8.2578 -8.2502 -7.8919 -7.8269 -7.8156 -7.7993 -7.7785 -7.7768 -4.3815 -4.3762 1.0904 1.1364 3.3532 3.4167 5.5286 5.5292 9.4528 9.4879 12.2666 12.3697 12.3834 12.3986 12.5166 12.6288 k = 0.2415 0.1394 0.3944 ( 1510 PWs) bands (ev): -8.3144 -8.2847 -8.2581 -8.2511 -7.8904 -7.8279 -7.8152 -7.7994 -7.7789 -7.7771 -4.4456 -4.4402 1.1852 1.2301 3.4343 3.4974 5.5866 5.5872 9.4674 9.5052 12.2137 12.2719 12.2874 12.3145 12.4585 12.5414 k = 0.2352 0.1358 0.3840 ( 1510 PWs) bands (ev): -8.3130 -8.2845 -8.2584 -8.2521 -7.8889 -7.8290 -7.8147 -7.7994 -7.7793 -7.7774 -4.5101 -4.5047 1.2843 1.3279 3.5191 3.5816 5.6442 5.6449 9.4772 9.5178 12.1499 12.1751 12.1957 12.2159 12.4254 12.4719 k = 0.2288 0.1321 0.3737 ( 1506 PWs) bands (ev): -8.3114 -8.2842 -8.2587 -8.2530 -7.8872 -7.8300 -7.8142 -7.7995 -7.7797 -7.7777 -4.5749 -4.5695 1.3874 1.4299 3.6071 3.6691 5.7013 5.7020 9.4820 9.5253 12.0734 12.0790 12.1080 12.1150 12.4051 12.4226 k = 0.2225 0.1284 0.3633 ( 1510 PWs) bands (ev): -8.3099 -8.2839 -8.2590 -8.2540 -7.8856 -7.8311 -7.8136 -7.7996 -7.7802 -7.7780 -4.6398 -4.6343 1.4946 1.5360 3.6982 3.7597 5.7577 5.7584 9.4818 9.5278 11.9828 11.9895 12.0174 12.0207 12.3913 12.3931 k = 0.2161 0.1248 0.3529 ( 1498 PWs) bands (ev): -8.3083 -8.2836 -8.2592 -8.2549 -7.8839 -7.8321 -7.8130 -7.7995 -7.7806 -7.7782 -4.7045 -4.6991 1.6058 1.6460 3.7922 3.8532 5.8134 5.8140 9.4767 9.5252 11.8860 11.9035 11.9250 11.9322 12.3740 12.3874 k = 0.2097 0.1211 0.3425 ( 1506 PWs) bands (ev): -8.3067 -8.2833 -8.2596 -8.2559 -7.8822 -7.8332 -7.8124 -7.7996 -7.7812 -7.7786 -4.7689 -4.7636 1.7207 1.7598 3.8890 3.9495 5.8680 5.8686 9.4667 9.5177 11.7895 11.8174 11.8375 11.8438 12.3667 12.3867 k = 0.2034 0.1174 0.3321 ( 1502 PWs) bands (ev): -8.3049 -8.2830 -8.2599 -8.2568 -7.8805 -7.8342 -7.8117 -7.7996 -7.7817 -7.7789 -4.8328 -4.8276 1.8395 1.8775 3.9882 4.0482 5.9216 5.9222 9.4521 9.5053 11.6945 11.7314 11.7538 11.7577 12.3664 12.3901 k = 0.1970 0.1138 0.3218 ( 1502 PWs) bands (ev): -8.3032 -8.2827 -8.2602 -8.2577 -7.8787 -7.8352 -7.8110 -7.7996 -7.7823 -7.7793 -4.8960 -4.8909 1.9619 1.9988 4.0898 4.1493 5.9741 5.9746 9.4331 9.4884 11.6020 11.6453 11.6735 11.6752 12.3706 12.3962 k = 0.1907 0.1101 0.3114 ( 1508 PWs) bands (ev): -8.3016 -8.2824 -8.2605 -8.2587 -7.8770 -7.8362 -7.8104 -7.7995 -7.7830 -7.7797 -4.9584 -4.9535 2.0879 2.1238 4.1934 4.2525 6.0252 6.0256 9.4102 9.4672 11.5121 11.5599 11.5961 11.5964 12.3774 12.4037 k = 0.1843 0.1064 0.3010 ( 1502 PWs) bands (ev): -8.2998 -8.2820 -8.2608 -8.2595 -7.8752 -7.8372 -7.8096 -7.7995 -7.7835 -7.7800 -5.0199 -5.0151 2.2174 2.2523 4.2989 4.3576 6.0749 6.0752 9.3835 9.4421 11.4254 11.4761 11.5211 11.5217 12.3848 12.4111 k = 0.1780 0.1027 0.2906 ( 1502 PWs) bands (ev): -8.2980 -8.2816 -8.2612 -8.2604 -7.8734 -7.8381 -7.8089 -7.7994 -7.7841 -7.7804 -5.0802 -5.0757 2.3503 2.3842 4.4061 4.4643 6.1231 6.1233 9.3534 9.4133 11.3419 11.3944 11.4487 11.4499 12.3908 12.4167 k = 0.1716 0.0991 0.2802 ( 1502 PWs) bands (ev): -8.2963 -8.2812 -8.2615 -8.2612 -7.8716 -7.8389 -7.8082 -7.7993 -7.7848 -7.7808 -5.1394 -5.1351 2.4865 2.5194 4.5147 4.5725 6.1697 6.1698 9.3204 9.3812 11.2616 11.3154 11.3792 11.3809 12.3934 12.4186 k = 0.1653 0.0954 0.2699 ( 1498 PWs) bands (ev): -8.2945 -8.2808 -8.2620 -8.2618 -7.8699 -7.8397 -7.8074 -7.7991 -7.7854 -7.7812 -5.1972 -5.1932 2.6259 2.6579 4.6245 4.6819 6.2146 6.2146 9.2845 9.3461 11.1848 11.2393 11.3125 11.3146 12.3907 12.4150 k = 0.1589 0.0917 0.2595 ( 1494 PWs) bands (ev): -8.2928 -8.2804 -8.2628 -8.2621 -7.8681 -7.8405 -7.8067 -7.7990 -7.7859 -7.7816 -5.2537 -5.2498 2.7685 2.7995 4.7352 4.7922 6.2576 6.2578 9.2462 9.3082 11.1115 11.1664 11.2484 11.2509 12.3806 12.4039 k = 0.1525 0.0881 0.2491 ( 1492 PWs) bands (ev): -8.2911 -8.2799 -8.2635 -8.2625 -7.8664 -7.8412 -7.8059 -7.7988 -7.7865 -7.7820 -5.3086 -5.3050 2.9141 2.9441 4.8466 4.9031 6.2987 6.2991 9.2056 9.2677 11.0417 11.0967 11.1870 11.1898 12.3612 12.3833 k = 0.1462 0.0844 0.2387 ( 1492 PWs) bands (ev): -8.2894 -8.2795 -8.2643 -8.2628 -7.8647 -7.8419 -7.8051 -7.7986 -7.7871 -7.7825 -5.3618 -5.3585 3.0626 3.0917 4.9583 5.0145 6.3380 6.3386 9.1629 9.2248 10.9755 11.0304 11.1282 11.1314 12.3307 12.3517 k = 0.1398 0.0807 0.2283 ( 1494 PWs) bands (ev): -8.2878 -8.2790 -8.2650 -8.2632 -7.8631 -7.8426 -7.8044 -7.7984 -7.7877 -7.7829 -5.4134 -5.4103 3.2139 3.2422 5.0701 5.1258 6.3754 6.3763 9.1181 9.1795 10.9131 10.9675 11.0720 11.0756 12.2878 12.3077 k = 0.1335 0.0771 0.2180 ( 1494 PWs) bands (ev): -8.2862 -8.2786 -8.2656 -8.2635 -7.8615 -7.8432 -7.8036 -7.7981 -7.7883 -7.7834 -5.4632 -5.4604 3.3679 3.3954 5.1817 5.2369 6.4109 6.4121 9.0714 9.1319 10.8544 10.9081 11.0185 11.0223 12.2317 12.2505 k = 0.1271 0.0734 0.2076 ( 1494 PWs) bands (ev): -8.2846 -8.2781 -8.2663 -8.2639 -7.8599 -7.8437 -7.8028 -7.7979 -7.7888 -7.7838 -5.5111 -5.5086 3.5246 3.5512 5.2926 5.3473 6.4445 6.4459 9.0226 9.0820 10.7994 10.8524 10.9675 10.9717 12.1622 12.1800 k = 0.1208 0.0697 0.1972 ( 1482 PWs) bands (ev): -8.2831 -8.2775 -8.2668 -8.2642 -7.8584 -7.8441 -7.8020 -7.7975 -7.7893 -7.7843 -5.5572 -5.5549 3.6838 3.7096 5.4024 5.4566 6.4763 6.4780 8.9716 9.0295 10.7483 10.8003 10.9192 10.9238 12.0798 12.0966 k = 0.1144 0.0661 0.1868 ( 1482 PWs) bands (ev): -8.2817 -8.2770 -8.2673 -8.2645 -7.8569 -7.8445 -7.8012 -7.7971 -7.7897 -7.7847 -5.6012 -5.5991 3.8453 3.8703 5.5109 5.5644 6.5061 6.5082 8.9183 8.9744 10.7011 10.7518 10.8735 10.8784 11.9856 12.0016 k = 0.1081 0.0624 0.1764 ( 1482 PWs) bands (ev): -8.2803 -8.2765 -8.2678 -8.2649 -7.8556 -7.8449 -7.8004 -7.7968 -7.7902 -7.7852 -5.6432 -5.6414 4.0091 4.0332 5.6174 5.6703 6.5342 6.5367 8.8623 8.9163 10.6577 10.7070 10.8305 10.8357 11.8811 11.8965 k = 0.1017 0.0587 0.1661 ( 1482 PWs) bands (ev): -8.2790 -8.2760 -8.2683 -8.2652 -7.8543 -7.8452 -7.7997 -7.7964 -7.7906 -7.7857 -5.6831 -5.6815 4.1749 4.1983 5.7216 5.7737 6.5605 6.5634 8.8033 8.8548 10.6182 10.6659 10.7901 10.7956 11.7685 11.7834 k = 0.0953 0.0550 0.1557 ( 1476 PWs) bands (ev): -8.2778 -8.2755 -8.2686 -8.2656 -7.8531 -7.8454 -7.7989 -7.7960 -7.7910 -7.7861 -5.7208 -5.7194 4.3427 4.3652 5.8230 5.8741 6.5853 6.5886 8.7409 8.7895 10.5825 10.6283 10.7524 10.7582 11.6501 11.6646 k = 0.0890 0.0514 0.1453 ( 1476 PWs) bands (ev): -8.2767 -8.2750 -8.2690 -8.2659 -7.8520 -7.8456 -7.7981 -7.7956 -7.7913 -7.7866 -5.7563 -5.7552 4.5121 4.5339 5.9209 5.9710 6.6085 6.6122 8.6745 8.7199 10.5506 10.5942 10.7176 10.7235 11.5282 11.5424 k = 0.0826 0.0477 0.1349 ( 1480 PWs) bands (ev): -8.2756 -8.2745 -8.2694 -8.2663 -7.8510 -7.8458 -7.7975 -7.7952 -7.7916 -7.7871 -5.7896 -5.7887 4.6831 4.7041 6.0149 6.0637 6.6304 6.6345 8.6034 8.6454 10.5222 10.5634 10.6855 10.6916 11.4053 11.4193 k = 0.0763 0.0440 0.1246 ( 1474 PWs) bands (ev): -8.2747 -8.2740 -8.2696 -8.2666 -7.8500 -7.8459 -7.7967 -7.7948 -7.7918 -7.7875 -5.8206 -5.8198 4.8553 4.8755 6.1043 6.1516 6.6512 6.6557 8.5272 8.5654 10.4972 10.5356 10.6564 10.6625 11.2839 11.2977 k = 0.0699 0.0404 0.1142 ( 1476 PWs) bands (ev): -8.2738 -8.2736 -8.2698 -8.2669 -7.8492 -7.8459 -7.7961 -7.7944 -7.7920 -7.7880 -5.8493 -5.8486 5.0285 5.0478 6.1884 6.2340 6.6710 6.6758 8.4451 8.4793 10.4753 10.5106 10.6304 10.6362 11.1662 11.1797 k = 0.0636 0.0367 0.1038 ( 1468 PWs) bands (ev): -8.2731 -8.2730 -8.2700 -8.2672 -7.8484 -7.8459 -7.7954 -7.7939 -7.7922 -7.7883 -5.8755 -5.8751 5.2023 5.2207 6.2668 6.3103 6.6902 6.6952 8.3565 8.3865 10.4561 10.4879 10.6075 10.6130 11.0544 11.0674 k = 0.0572 0.0330 0.0934 ( 1464 PWs) bands (ev): -8.2726 -8.2723 -8.2701 -8.2676 -7.8477 -7.8459 -7.7948 -7.7935 -7.7923 -7.7887 -5.8994 -5.8991 5.3761 5.3936 6.3388 6.3796 6.7091 6.7141 8.2610 8.2868 10.4391 10.4670 10.5879 10.5928 10.9504 10.9628 k = 0.0508 0.0294 0.0830 ( 1464 PWs) bands (ev): -8.2722 -8.2717 -8.2702 -8.2679 -7.8471 -7.8458 -7.7942 -7.7931 -7.7924 -7.7892 -5.9209 -5.9207 5.5494 5.5659 6.4039 6.4415 6.7281 6.7327 8.1582 8.1797 10.4239 10.4473 10.5715 10.5756 10.8561 10.8673 k = 0.0445 0.0257 0.0727 ( 1464 PWs) bands (ev): -8.2718 -8.2712 -8.2703 -8.2682 -7.8466 -7.8458 -7.7937 -7.7928 -7.7924 -7.7896 -5.9399 -5.9398 5.7213 5.7367 6.4619 6.4956 6.7473 6.7513 8.0480 8.0655 10.4097 10.4285 10.5583 10.5616 10.7730 10.7826 k = 0.0381 0.0220 0.0623 ( 1464 PWs) bands (ev): -8.2714 -8.2707 -8.2703 -8.2685 -7.8462 -7.8457 -7.7933 -7.7925 -7.7924 -7.7899 -5.9565 -5.9564 5.8903 5.9045 6.5130 6.5423 6.7667 6.7697 7.9308 7.9444 10.3960 10.4099 10.5482 10.5505 10.7022 10.7098 k = 0.0318 0.0183 0.0519 ( 1464 PWs) bands (ev): -8.2711 -8.2704 -8.2703 -8.2687 -7.8459 -7.8456 -7.7929 -7.7924 -7.7922 -7.7903 -5.9705 -5.9704 6.0541 6.0667 6.5589 6.5830 6.7859 6.7878 7.8073 7.8173 10.3823 10.3917 10.5407 10.5421 10.6443 10.6497 k = 0.0254 0.0147 0.0415 ( 1460 PWs) bands (ev): -8.2708 -8.2702 -8.2701 -8.2690 -7.8456 -7.8455 -7.7925 -7.7923 -7.7920 -7.7906 -5.9820 -5.9820 6.2079 6.2184 6.6031 6.6215 6.8040 6.8048 7.6790 7.6858 10.3686 10.3740 10.5354 10.5362 10.5995 10.6027 k = 0.0191 0.0110 0.0311 ( 1460 PWs) bands (ev): -8.2705 -8.2701 -8.2700 -8.2692 -7.8454 -7.8454 -7.7923 -7.7922 -7.7918 -7.7909 -5.9910 -5.9910 6.3420 6.3493 6.6540 6.6659 6.8196 6.8196 7.5488 7.5528 10.3556 10.3581 10.5319 10.5322 10.5668 10.5682 k = 0.0127 0.0073 0.0208 ( 1459 PWs) bands (ev): -8.2703 -8.2700 -8.2699 -8.2695 -7.8453 -7.8453 -7.7921 -7.7920 -7.7917 -7.7912 -5.9974 -5.9974 6.4398 6.4428 6.7227 6.7278 6.8313 6.8316 7.4226 7.4244 10.3446 10.3453 10.5297 10.5298 10.5448 10.5452 k = 0.0064 0.0037 0.0104 ( 1459 PWs) bands (ev): -8.2701 -8.2699 -8.2698 -8.2697 -7.8452 -7.8452 -7.7919 -7.7918 -7.7917 -7.7915 -6.0012 -6.0012 6.4915 6.4919 6.8015 6.8023 6.8389 6.8391 7.3160 7.3163 10.3370 10.3371 10.5285 10.5286 10.5323 10.5323 k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -8.2699 -8.2699 -8.2699 -8.2699 -7.8452 -7.8452 -7.7917 -7.7917 -7.7917 -7.7917 -6.0025 -6.0025 6.5063 6.5063 6.8416 6.8416 6.8416 6.8416 7.2684 7.2684 10.3343 10.3343 10.5282 10.5282 10.5282 10.5282 k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -8.2699 -8.2699 -8.2699 -8.2699 -7.8452 -7.8452 -7.7917 -7.7917 -7.7917 -7.7917 -6.0025 -6.0025 6.5063 6.5063 6.8416 6.8416 6.8416 6.8416 7.2684 7.2684 10.3343 10.3343 10.5282 10.5282 10.5282 10.5282 k = 0.0102 0.0059 0.0042 ( 1459 PWs) bands (ev): -8.2701 -8.2699 -8.2699 -8.2697 -7.8452 -7.8452 -7.7919 -7.7918 -7.7918 -7.7915 -6.0013 -6.0013 6.4922 6.4922 6.8026 6.8026 6.8396 6.8399 7.3146 7.3146 10.3370 10.3370 10.5297 10.5297 10.5309 10.5310 k = 0.0204 0.0118 0.0083 ( 1459 PWs) bands (ev): -8.2702 -8.2700 -8.2700 -8.2695 -7.8453 -7.8453 -7.7921 -7.7919 -7.7919 -7.7912 -5.9976 -5.9976 6.4425 6.4425 6.7277 6.7277 6.8339 6.8345 7.4183 7.4183 10.3452 10.3452 10.5344 10.5344 10.5392 10.5393 k = 0.0306 0.0177 0.0125 ( 1462 PWs) bands (ev): -8.2704 -8.2701 -8.2701 -8.2692 -7.8454 -7.8454 -7.7922 -7.7920 -7.7920 -7.7909 -5.9914 -5.9914 6.3466 6.3466 6.6664 6.6664 6.8245 6.8255 7.5404 7.5404 10.3588 10.3588 10.5427 10.5427 10.5529 10.5531 k = 0.0408 0.0236 0.0167 ( 1462 PWs) bands (ev): -8.2706 -8.2703 -8.2703 -8.2690 -7.8455 -7.8455 -7.7923 -7.7923 -7.7923 -7.7906 -5.9827 -5.9827 6.2124 6.2124 6.6262 6.6262 6.8117 6.8129 7.6650 7.6650 10.3782 10.3782 10.5551 10.5551 10.5718 10.5721 k = 0.0510 0.0295 0.0208 ( 1462 PWs) bands (ev): -8.2707 -8.2705 -8.2705 -8.2688 -7.8457 -7.8457 -7.7926 -7.7926 -7.7924 -7.7902 -5.9715 -5.9715 6.0567 6.0567 6.5965 6.5965 6.7956 6.7971 7.7855 7.7855 10.4036 10.4036 10.5722 10.5722 10.5957 10.5961 k = 0.0612 0.0353 0.0250 ( 1462 PWs) bands (ev): -8.2708 -8.2707 -8.2707 -8.2685 -7.8459 -7.8459 -7.7930 -7.7930 -7.7924 -7.7898 -5.9580 -5.9580 5.8896 5.8896 6.5702 6.5702 6.7763 6.7781 7.8984 7.8984 10.4352 10.4352 10.5949 10.5949 10.6243 10.6247 k = 0.0714 0.0412 0.0292 ( 1462 PWs) bands (ev): -8.2710 -8.2710 -8.2709 -8.2682 -7.8461 -7.8461 -7.7934 -7.7934 -7.7924 -7.7893 -5.9420 -5.9420 5.7160 5.7160 6.5442 6.5442 6.7541 6.7562 8.0014 8.0014 10.4733 10.4733 10.6239 10.6239 10.6571 10.6577 k = 0.0816 0.0471 0.0333 ( 1462 PWs) bands (ev): -8.2714 -8.2714 -8.2710 -8.2680 -7.8464 -7.8464 -7.7939 -7.7939 -7.7923 -7.7889 -5.9235 -5.9235 5.5383 5.5383 6.5172 6.5172 6.7293 6.7315 8.0927 8.0927 10.5177 10.5177 10.6605 10.6605 10.6939 10.6945 k = 0.0918 0.0530 0.0375 ( 1462 PWs) bands (ev): -8.2718 -8.2718 -8.2711 -8.2677 -7.8467 -7.8467 -7.7944 -7.7944 -7.7922 -7.7884 -5.9027 -5.9027 5.3580 5.3580 6.4887 6.4887 6.7021 6.7045 8.1714 8.1714 10.5675 10.5675 10.7062 10.7062 10.7340 10.7348 k = 0.1020 0.0589 0.0417 ( 1462 PWs) bands (ev): -8.2722 -8.2722 -8.2712 -8.2675 -7.8470 -7.8470 -7.7950 -7.7950 -7.7920 -7.7879 -5.8796 -5.8796 5.1760 5.1760 6.4588 6.4588 6.6727 6.6753 8.2367 8.2367 10.6206 10.6206 10.7633 10.7633 10.7771 10.7781 k = 0.1122 0.0648 0.0458 ( 1462 PWs) bands (ev): -8.2727 -8.2727 -8.2712 -8.2672 -7.8473 -7.8473 -7.7956 -7.7956 -7.7918 -7.7873 -5.8541 -5.8541 4.9929 4.9929 6.4274 6.4274 6.6414 6.6443 8.2888 8.2888 10.6746 10.6746 10.8227 10.8238 10.8341 10.8341 k = 0.1224 0.0707 0.0500 ( 1468 PWs) bands (ev): -8.2732 -8.2732 -8.2712 -8.2669 -7.8477 -7.8477 -7.7962 -7.7962 -7.7916 -7.7868 -5.8264 -5.8264 4.8093 4.8093 6.3946 6.3946 6.6086 6.6116 8.3279 8.3279 10.7279 10.7279 10.8701 10.8713 10.9195 10.9195 k = 0.1327 0.0766 0.0542 ( 1480 PWs) bands (ev): -8.2738 -8.2738 -8.2713 -8.2667 -7.8481 -7.8481 -7.7969 -7.7969 -7.7915 -7.7863 -5.7964 -5.7964 4.6255 4.6255 6.3606 6.3606 6.5744 6.5776 8.3550 8.3550 10.7801 10.7801 10.9188 10.9202 11.0188 11.0188 k = 0.1429 0.0825 0.0583 ( 1486 PWs) bands (ev): -8.2745 -8.2745 -8.2713 -8.2665 -7.8486 -7.8486 -7.7976 -7.7976 -7.7912 -7.7857 -5.7642 -5.7642 4.4419 4.4419 6.3257 6.3257 6.5391 6.5424 8.3712 8.3712 10.8315 10.8315 10.9682 10.9698 11.1303 11.1303 k = 0.1531 0.0884 0.0625 ( 1492 PWs) bands (ev): -8.2751 -8.2751 -8.2713 -8.2662 -7.8489 -7.8489 -7.7984 -7.7984 -7.7909 -7.7852 -5.7298 -5.7298 4.2588 4.2588 6.2900 6.2900 6.5029 6.5064 8.3778 8.3778 10.8820 10.8820 11.0178 11.0196 11.2523 11.2523 k = 0.1633 0.0943 0.0667 ( 1489 PWs) bands (ev): -8.2757 -8.2757 -8.2712 -8.2660 -7.8493 -7.8493 -7.7991 -7.7991 -7.7905 -7.7845 -5.6934 -5.6934 4.0765 4.0765 6.2536 6.2536 6.4662 6.4697 8.3763 8.3763 10.9318 10.9318 11.0670 11.0690 11.3834 11.3834 k = 0.1735 0.1002 0.0708 ( 1489 PWs) bands (ev): -8.2764 -8.2764 -8.2712 -8.2657 -7.8497 -7.8497 -7.7998 -7.7998 -7.7900 -7.7839 -5.6548 -5.6548 3.8951 3.8951 6.2169 6.2169 6.4290 6.4326 8.3679 8.3679 10.9803 10.9803 11.1153 11.1175 11.5221 11.5221 k = 0.1837 0.1060 0.0750 ( 1492 PWs) bands (ev): -8.2771 -8.2771 -8.2711 -8.2655 -7.8502 -7.8502 -7.8005 -7.8005 -7.7896 -7.7833 -5.6143 -5.6143 3.7150 3.7150 6.1800 6.1800 6.3915 6.3952 8.3538 8.3538 11.0274 11.0274 11.1620 11.1643 11.6673 11.6673 k = 0.1939 0.1119 0.0792 ( 1486 PWs) bands (ev): -8.2778 -8.2778 -8.2710 -8.2652 -7.8505 -7.8505 -7.8012 -7.8012 -7.7891 -7.7826 -5.5719 -5.5719 3.5363 3.5363 6.1430 6.1430 6.3541 6.3578 8.3351 8.3351 11.0725 11.0725 11.2067 11.2092 11.8179 11.8179 k = 0.2041 0.1178 0.0833 ( 1486 PWs) bands (ev): -8.2785 -8.2785 -8.2709 -8.2650 -7.8509 -7.8509 -7.8020 -7.8020 -7.7886 -7.7819 -5.5276 -5.5276 3.3593 3.3593 6.1062 6.1062 6.3167 6.3205 8.3128 8.3128 11.1153 11.1153 11.2489 11.2515 11.9731 11.9731 k = 0.2143 0.1237 0.0875 ( 1486 PWs) bands (ev): -8.2792 -8.2792 -8.2708 -8.2648 -7.8513 -7.8513 -7.8027 -7.8027 -7.7880 -7.7813 -5.4815 -5.4815 3.1842 3.1842 6.0695 6.0695 6.2796 6.2834 8.2877 8.2877 11.1554 11.1554 11.2882 11.2909 12.1319 12.1319 k = 0.2245 0.1296 0.0916 ( 1486 PWs) bands (ev): -8.2800 -8.2800 -8.2707 -8.2646 -7.8517 -7.8517 -7.8035 -7.8035 -7.7874 -7.7806 -5.4337 -5.4337 3.0111 3.0111 6.0333 6.0333 6.2429 6.2467 8.2605 8.2605 11.1925 11.1925 11.3242 11.3270 12.2938 12.2938 k = 0.2347 0.1355 0.0958 ( 1489 PWs) bands (ev): -8.2808 -8.2808 -8.2706 -8.2644 -7.8521 -7.8521 -7.8042 -7.8042 -7.7869 -7.7800 -5.3843 -5.3843 2.8403 2.8403 5.9976 5.9976 6.2068 6.2106 8.2318 8.2318 11.2262 11.2262 11.3567 11.3596 12.4581 12.4581 k = 0.2449 0.1414 0.1000 ( 1489 PWs) bands (ev): -8.2816 -8.2816 -8.2704 -8.2643 -7.8524 -7.8524 -7.8049 -7.8049 -7.7863 -7.7793 -5.3335 -5.3335 2.6719 2.6719 5.9625 5.9625 6.1714 6.1751 8.2021 8.2021 11.2565 11.2565 11.3855 11.3884 12.6242 12.6242 k = 0.2551 0.1473 0.1041 ( 1495 PWs) bands (ev): -8.2824 -8.2824 -8.2703 -8.2641 -7.8528 -7.8528 -7.8056 -7.8056 -7.7857 -7.7788 -5.2813 -5.2813 2.5062 2.5062 5.9282 5.9282 6.1366 6.1404 8.1718 8.1718 11.2832 11.2832 11.4105 11.4134 12.7914 12.7914 k = 0.2653 0.1532 0.1083 ( 1495 PWs) bands (ev): -8.2831 -8.2831 -8.2701 -8.2640 -7.8531 -7.8531 -7.8063 -7.8063 -7.7850 -7.7781 -5.2278 -5.2278 2.3433 2.3433 5.8947 5.8947 6.1028 6.1065 8.1413 8.1413 11.3062 11.3062 11.4316 11.4345 12.9591 12.9591 k = 0.2755 0.1591 0.1125 ( 1495 PWs) bands (ev): -8.2839 -8.2839 -8.2699 -8.2639 -7.8534 -7.8534 -7.8069 -7.8069 -7.7844 -7.7775 -5.1732 -5.1732 2.1836 2.1836 5.8621 5.8621 6.0699 6.0735 8.1109 8.1109 11.3255 11.3255 11.4489 11.4517 13.1265 13.1265 k = 0.2857 0.1650 0.1166 ( 1501 PWs) bands (ev): -8.2847 -8.2847 -8.2698 -8.2638 -7.8537 -7.8537 -7.8075 -7.8075 -7.7837 -7.7770 -5.1176 -5.1176 2.0271 2.0271 5.8305 5.8305 6.0381 6.0416 8.0808 8.0808 11.3414 11.3414 11.4626 11.4654 13.2927 13.2927 k = 0.2959 0.1708 0.1208 ( 1501 PWs) bands (ev): -8.2855 -8.2855 -8.2696 -8.2637 -7.8539 -7.8539 -7.8082 -7.8082 -7.7830 -7.7764 -5.0613 -5.0613 1.8742 1.8742 5.8000 5.8000 6.0073 6.0108 8.0512 8.0512 11.3539 11.3539 11.4729 11.4755 13.4566 13.4566 k = 0.3061 0.1767 0.1250 ( 1495 PWs) bands (ev): -8.2862 -8.2862 -8.2694 -8.2636 -7.8541 -7.8541 -7.8088 -7.8088 -7.7824 -7.7759 -5.0043 -5.0043 1.7251 1.7251 5.7707 5.7707 5.9777 5.9811 8.0225 8.0225 11.3632 11.3632 11.4800 11.4825 13.6168 13.6168 k = 0.3163 0.1826 0.1291 ( 1495 PWs) bands (ev): -8.2869 -8.2869 -8.2692 -8.2635 -7.8543 -7.8543 -7.8093 -7.8093 -7.7817 -7.7754 -4.9470 -4.9470 1.5800 1.5800 5.7425 5.7425 5.9494 5.9526 7.9945 7.9945 11.3697 11.3697 11.4842 11.4866 13.7714 13.7714 k = 0.3265 0.1885 0.1333 ( 1501 PWs) bands (ev): -8.2877 -8.2877 -8.2689 -8.2635 -7.8546 -7.8546 -7.8099 -7.8099 -7.7810 -7.7749 -4.8895 -4.8895 1.4392 1.4392 5.7157 5.7157 5.9223 5.9255 7.9676 7.9676 11.3736 11.3736 11.4859 11.4882 13.9180 13.9180 k = 0.3367 0.1944 0.1375 ( 1501 PWs) bands (ev): -8.2884 -8.2884 -8.2687 -8.2635 -7.8547 -7.8547 -7.8104 -7.8104 -7.7803 -7.7745 -4.8321 -4.8321 1.3031 1.3031 5.6901 5.6901 5.8966 5.8996 7.9419 7.9419 11.3753 11.3753 11.4854 11.4875 14.0538 14.0538 k = 0.3469 0.2003 0.1416 ( 1495 PWs) bands (ev): -8.2890 -8.2890 -8.2685 -8.2635 -7.8549 -7.8549 -7.8108 -7.8108 -7.7797 -7.7740 -4.7751 -4.7751 1.1720 1.1720 5.6659 5.6659 5.8723 5.8751 7.9174 7.9174 11.3751 11.3751 11.4830 11.4850 14.1757 14.1757 k = 0.3571 0.2062 0.1458 ( 1495 PWs) bands (ev): -8.2897 -8.2897 -8.2682 -8.2635 -7.8550 -7.8550 -7.8113 -7.8113 -7.7790 -7.7736 -4.7187 -4.7187 1.0461 1.0461 5.6430 5.6430 5.8494 5.8521 7.8942 7.8942 11.3732 11.3732 11.4791 11.4810 14.2803 14.2803 k = 0.3673 0.2121 0.1500 ( 1498 PWs) bands (ev): -8.2903 -8.2903 -8.2680 -8.2635 -7.8552 -7.8552 -7.8117 -7.8117 -7.7784 -7.7733 -4.6635 -4.6635 0.9259 0.9259 5.6217 5.6217 5.8279 5.8304 7.8723 7.8723 11.3700 11.3700 11.4741 11.4757 14.3657 14.3657 k = 0.3776 0.2180 0.1541 ( 1498 PWs) bands (ev): -8.2909 -8.2909 -8.2677 -8.2635 -7.8553 -7.8553 -7.8121 -7.8121 -7.7778 -7.7730 -4.6096 -4.6096 0.8119 0.8119 5.6017 5.6017 5.8079 5.8103 7.8519 7.8519 11.3659 11.3659 11.4681 11.4697 14.4315 14.4315 k = 0.3878 0.2239 0.1583 ( 1492 PWs) bands (ev): -8.2914 -8.2914 -8.2675 -8.2635 -7.8554 -7.8554 -7.8124 -7.8124 -7.7771 -7.7727 -4.5575 -4.5575 0.7043 0.7043 5.5833 5.5833 5.7895 5.7917 7.8330 7.8330 11.3610 11.3610 11.4616 11.4630 14.4791 14.4791 k = 0.3980 0.2298 0.1625 ( 1492 PWs) bands (ev): -8.2919 -8.2919 -8.2673 -8.2636 -7.8554 -7.8554 -7.8127 -7.8127 -7.7765 -7.7724 -4.5076 -4.5076 0.6037 0.6037 5.5664 5.5664 5.7725 5.7745 7.8156 7.8156 11.3557 11.3557 11.4548 11.4560 14.5116 14.5116 k = 0.4082 0.2357 0.1666 ( 1492 PWs) bands (ev): -8.2924 -8.2924 -8.2670 -8.2637 -7.8555 -7.8555 -7.8130 -7.8130 -7.7760 -7.7722 -4.4604 -4.4604 0.5105 0.5105 5.5510 5.5510 5.7571 5.7590 7.7998 7.7998 11.3502 11.3502 11.4479 11.4490 14.5324 14.5324 k = 0.4184 0.2415 0.1708 ( 1486 PWs) bands (ev): -8.2928 -8.2928 -8.2667 -8.2637 -7.8556 -7.8556 -7.8133 -7.8133 -7.7754 -7.7721 -4.4164 -4.4164 0.4253 0.4253 5.5373 5.5373 5.7434 5.7450 7.7856 7.7856 11.3447 11.3447 11.4412 11.4421 14.5446 14.5446 k = 0.4286 0.2474 0.1750 ( 1486 PWs) bands (ev): -8.2932 -8.2932 -8.2665 -8.2639 -7.8556 -7.8556 -7.8135 -7.8135 -7.7749 -7.7719 -4.3760 -4.3760 0.3485 0.3485 5.5250 5.5250 5.7312 5.7326 7.7730 7.7730 11.3394 11.3394 11.4348 11.4356 14.5510 14.5510 k = 0.4388 0.2533 0.1791 ( 1489 PWs) bands (ev): -8.2936 -8.2936 -8.2663 -8.2640 -7.8557 -7.8557 -7.8137 -7.8137 -7.7745 -7.7719 -4.3398 -4.3398 0.2807 0.2807 5.5144 5.5144 5.7206 5.7218 7.7620 7.7620 11.3344 11.3344 11.4289 11.4296 14.5535 14.5535 k = 0.4490 0.2592 0.1833 ( 1489 PWs) bands (ev): -8.2938 -8.2938 -8.2660 -8.2641 -7.8558 -7.8558 -7.8139 -7.8139 -7.7740 -7.7719 -4.3081 -4.3081 0.2223 0.2223 5.5054 5.5054 5.7116 5.7127 7.7527 7.7527 11.3300 11.3300 11.4237 11.4243 14.5536 14.5536 k = 0.4592 0.2651 0.1875 ( 1489 PWs) bands (ev): -8.2941 -8.2941 -8.2658 -8.2643 -7.8558 -7.8558 -7.8140 -7.8140 -7.7736 -7.7719 -4.2815 -4.2815 0.1738 0.1738 5.4980 5.4980 5.7043 5.7052 7.7450 7.7450 11.3262 11.3262 11.4193 11.4198 14.5526 14.5526 k = 0.4694 0.2710 0.1916 ( 1489 PWs) bands (ev): -8.2943 -8.2943 -8.2656 -8.2644 -7.8558 -7.8558 -7.8141 -7.8141 -7.7733 -7.7720 -4.2604 -4.2604 0.1356 0.1356 5.4923 5.4923 5.6986 5.6993 7.7391 7.7391 11.3232 11.3232 11.4158 11.4162 14.5510 14.5510 k = 0.4796 0.2769 0.1958 ( 1489 PWs) bands (ev): -8.2944 -8.2944 -8.2654 -8.2646 -7.8558 -7.8558 -7.8142 -7.8142 -7.7729 -7.7721 -4.2450 -4.2450 0.1081 0.1081 5.4882 5.4882 5.6946 5.6950 7.7348 7.7348 11.3209 11.3209 11.4133 11.4135 14.5496 14.5496 k = 0.4898 0.2828 0.2000 ( 1501 PWs) bands (ev): -8.2945 -8.2945 -8.2652 -8.2648 -7.8559 -7.8559 -7.8143 -7.8143 -7.7727 -7.7723 -4.2357 -4.2357 0.0914 0.0914 5.4857 5.4857 5.6922 5.6924 7.7323 7.7323 11.3196 11.3196 11.4117 11.4118 14.5486 14.5486 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -8.2946 -8.2946 -8.2650 -8.2650 -7.8559 -7.8559 -7.8143 -7.8143 -7.7725 -7.7725 -4.2326 -4.2326 0.0859 0.0859 5.4849 5.4849 5.6915 5.6915 7.7314 7.7314 11.3191 11.3191 11.4113 11.4113 14.5482 14.5482 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -8.2946 -8.2946 -8.2650 -8.2650 -7.8559 -7.8559 -7.8143 -7.8143 -7.7725 -7.7725 -4.2326 -4.2326 0.0859 0.0859 5.4849 5.4849 5.6915 5.6915 7.7314 7.7314 11.3191 11.3191 11.4113 11.4113 14.5482 14.5482 k = 0.5036 0.2784 0.2100 ( 1502 PWs) bands (ev): -8.2960 -8.2932 -8.2650 -8.2650 -7.8582 -7.8537 -7.8149 -7.8137 -7.7725 -7.7725 -4.2318 -4.2315 0.0857 0.0872 5.4743 5.4799 5.6831 5.6833 7.7428 7.7482 11.3193 11.3194 11.4115 11.4116 14.5535 14.5555 k = 0.5071 0.2681 0.2158 ( 1494 PWs) bands (ev): -8.2975 -8.2919 -8.2648 -8.2648 -7.8605 -7.8514 -7.8154 -7.8131 -7.7725 -7.7725 -4.2292 -4.2286 0.0867 0.0898 5.4467 5.4584 5.6603 5.6615 7.7813 7.7917 11.3177 11.3178 11.4148 11.4149 14.5709 14.5749 k = 0.5107 0.2577 0.2216 ( 1494 PWs) bands (ev): -8.2990 -8.2907 -8.2646 -8.2645 -7.8628 -7.8492 -7.8159 -7.8124 -7.7725 -7.7725 -4.2247 -4.2238 0.0889 0.0935 5.3989 5.4168 5.6295 5.6324 7.8439 7.8586 11.3094 11.3097 11.4266 11.4268 14.5991 14.6053 k = 0.5143 0.2474 0.2275 ( 1492 PWs) bands (ev): -8.3006 -8.2896 -8.2644 -8.2641 -7.8651 -7.8470 -7.8163 -7.8118 -7.7726 -7.7726 -4.2184 -4.2172 0.0922 0.0983 5.3295 5.3528 5.5973 5.6017 7.9260 7.9445 11.2920 11.2923 11.4504 11.4507 14.6363 14.6448 k = 0.5179 0.2371 0.2333 ( 1498 PWs) bands (ev): -8.3022 -8.2887 -8.2641 -8.2636 -7.8675 -7.8449 -7.8168 -7.8111 -7.7727 -7.7727 -4.2103 -4.2087 0.0966 0.1043 5.2406 5.2677 5.5666 5.5717 8.0233 8.0448 11.2672 11.2676 11.4859 11.4864 14.6796 14.6908 k = 0.5214 0.2268 0.2391 ( 1502 PWs) bands (ev): -8.3038 -8.2879 -8.2638 -8.2630 -7.8698 -7.8429 -7.8172 -7.8105 -7.7728 -7.7728 -4.2004 -4.1985 0.1020 0.1113 5.1365 5.1664 5.5367 5.5419 8.1312 8.1552 11.2381 11.2383 11.5318 11.5323 14.7256 14.7398 k = 0.5250 0.2165 0.2449 ( 1498 PWs) bands (ev): -8.3053 -8.2872 -8.2633 -8.2622 -7.8720 -7.8409 -7.8175 -7.8097 -7.7729 -7.7728 -4.1886 -4.1866 0.1084 0.1193 5.0215 5.0534 5.5066 5.5114 8.2458 8.2718 11.2074 11.2075 11.5869 11.5874 14.7702 14.7879 k = 0.5286 0.2062 0.2508 ( 1500 PWs) bands (ev): -8.3069 -8.2867 -8.2629 -8.2613 -7.8743 -7.8390 -7.8177 -7.8090 -7.7731 -7.7729 -4.1752 -4.1729 0.1156 0.1282 4.8990 4.9326 5.4752 5.4796 8.3636 8.3912 11.1776 11.1782 11.6506 11.6511 14.8088 14.8301 k = 0.5321 0.1959 0.2566 ( 1500 PWs) bands (ev): -8.3084 -8.2863 -8.2625 -8.2603 -7.8765 -7.8372 -7.8179 -7.8083 -7.7733 -7.7730 -4.1600 -4.1575 0.1236 0.1379 4.7716 4.8066 5.4422 5.4462 8.4813 8.5102 11.1513 11.1527 11.7222 11.7228 14.8364 14.8614 k = 0.5357 0.1856 0.2624 ( 1503 PWs) bands (ev): -8.3099 -8.2860 -8.2621 -8.2592 -7.8787 -7.8356 -7.8180 -7.8076 -7.7735 -7.7731 -4.1432 -4.1404 0.1323 0.1483 4.6413 4.6776 5.4075 5.4110 8.5959 8.6257 11.1313 11.1338 11.8014 11.8020 14.8483 14.8766 k = 0.5393 0.1753 0.2683 ( 1501 PWs) bands (ev): -8.3114 -8.2857 -8.2616 -8.2580 -7.8808 -7.8340 -7.8180 -7.8068 -7.7737 -7.7732 -4.1247 -4.1218 0.1414 0.1593 4.5096 4.5471 5.3710 5.3742 8.7045 8.7347 11.1202 11.1242 11.8877 11.8883 14.8407 14.8715 k = 0.5429 0.1650 0.2741 ( 1505 PWs) bands (ev): -8.3128 -8.2857 -8.2611 -8.2569 -7.8829 -7.8326 -7.8179 -7.8061 -7.7740 -7.7734 -4.1047 -4.1017 0.1510 0.1707 4.3776 4.4165 5.3329 5.3357 8.8041 8.8343 11.1207 11.1269 11.9807 11.9813 14.8114 14.8434 k = 0.5464 0.1546 0.2799 ( 1501 PWs) bands (ev): -8.3142 -8.2856 -8.2606 -8.2556 -7.8848 -7.8314 -7.8176 -7.8053 -7.7742 -7.7734 -4.0832 -4.0800 0.1607 0.1824 4.2466 4.2867 5.2934 5.2959 8.8922 8.9220 11.1352 11.1442 12.0801 12.0806 14.7605 14.7919 k = 0.5500 0.1443 0.2858 ( 1499 PWs) bands (ev): -8.3155 -8.2856 -8.2601 -8.2544 -7.8867 -7.8304 -7.8172 -7.8046 -7.7745 -7.7735 -4.0602 -4.0570 0.1704 0.1941 4.1173 4.1587 5.2527 5.2550 8.9666 8.9955 11.1658 11.1783 12.1854 12.1858 14.6897 14.7187 k = 0.5536 0.1340 0.2916 ( 1500 PWs) bands (ev): -8.3168 -8.2857 -8.2596 -8.2532 -7.8886 -7.8296 -7.8166 -7.8039 -7.7748 -7.7736 -4.0360 -4.0327 0.1799 0.2056 3.9905 4.0334 5.2110 5.2131 9.0260 9.0534 11.2134 11.2304 12.2962 12.2966 14.6021 14.6272 k = 0.5571 0.1237 0.2974 ( 1500 PWs) bands (ev): -8.3181 -8.2858 -8.2591 -8.2520 -7.8903 -7.8290 -7.8158 -7.8032 -7.7751 -7.7737 -4.0104 -4.0071 0.1889 0.2168 3.8670 3.9113 5.1686 5.1705 9.0696 9.0954 11.2784 11.3006 12.4122 12.4124 14.5012 14.5210 k = 0.5607 0.1134 0.3033 ( 1498 PWs) bands (ev): -8.3192 -8.2859 -8.2586 -8.2508 -7.8919 -7.8286 -7.8149 -7.8025 -7.7754 -7.7737 -3.9838 -3.9805 0.1973 0.2273 3.7474 3.7932 5.1257 5.1275 9.0981 9.1220 11.3598 11.3881 12.5329 12.5330 14.3907 14.4042 k = 0.5643 0.1031 0.3091 ( 1498 PWs) bands (ev): -8.3203 -8.2861 -8.2581 -8.2497 -7.8934 -7.8284 -7.8139 -7.8019 -7.7757 -7.7737 -3.9561 -3.9528 0.2047 0.2369 3.6324 3.6798 5.0826 5.0842 9.1127 9.1345 11.4555 11.4908 12.6578 12.6580 14.2742 14.2803 k = 0.5679 0.0928 0.3149 ( 1503 PWs) bands (ev): -8.3214 -8.2863 -8.2577 -8.2487 -7.8949 -7.8283 -7.8128 -7.8013 -7.7761 -7.7738 -3.9275 -3.9243 0.2108 0.2453 3.5226 3.5716 5.0393 5.0409 9.1152 9.1350 11.5626 11.6059 12.7863 12.7868 14.1529 14.1552 k = 0.5714 0.0825 0.3208 ( 1503 PWs) bands (ev): -8.3224 -8.2866 -8.2573 -8.2477 -7.8962 -7.8283 -7.8116 -7.8007 -7.7764 -7.7738 -3.8982 -3.8951 0.2155 0.2521 3.4187 3.4692 4.9963 4.9977 9.1075 9.1255 11.6772 11.7297 12.9182 12.9192 14.0256 14.0373 k = 0.5750 0.0722 0.3266 ( 1505 PWs) bands (ev): -8.3234 -8.2868 -8.2568 -8.2468 -7.8974 -7.8284 -7.8105 -7.8001 -7.7768 -7.7738 -3.8683 -3.8653 0.2183 0.2572 3.3212 3.3734 4.9535 4.9549 9.0918 9.1080 11.7948 11.8580 13.0527 13.0544 13.9023 13.9246 k = 0.5786 0.0619 0.3324 ( 1505 PWs) bands (ev): -8.3242 -8.2871 -8.2564 -8.2459 -7.8985 -7.8285 -7.8093 -7.7996 -7.7771 -7.7737 -3.8380 -3.8352 0.2192 0.2602 3.2308 3.2845 4.9113 4.9126 9.0699 9.0846 11.9097 11.9853 13.1889 13.1920 13.7882 13.8222 k = 0.5821 0.0515 0.3383 ( 1511 PWs) bands (ev): -8.3251 -8.2874 -8.2560 -8.2452 -7.8995 -7.8287 -7.8081 -7.7991 -7.7775 -7.7737 -3.8075 -3.8048 0.2178 0.2608 3.1480 3.2032 4.8697 4.8710 9.0434 9.0566 12.0146 12.1041 13.3251 13.3310 13.6913 13.7369 k = 0.5857 0.0412 0.3441 ( 1511 PWs) bands (ev): -8.3258 -8.2876 -8.2556 -8.2445 -7.9003 -7.8290 -7.8069 -7.7987 -7.7779 -7.7736 -3.7770 -3.7746 0.2140 0.2590 3.0732 3.1298 4.8290 4.8302 9.0137 9.0256 12.1006 12.2044 13.4547 13.4699 13.6272 13.6779 k = 0.5893 0.0309 0.3499 ( 1511 PWs) bands (ev): -8.3265 -8.2879 -8.2553 -8.2438 -7.9010 -7.8293 -7.8057 -7.7983 -7.7783 -7.7735 -3.7468 -3.7445 0.2077 0.2544 3.0070 3.0648 4.7892 4.7904 8.9818 8.9926 12.1578 12.2736 13.5329 13.5982 13.6516 13.6642 k = 0.5929 0.0206 0.3558 ( 1511 PWs) bands (ev): -8.3271 -8.2882 -8.2549 -8.2433 -7.9016 -7.8296 -7.8046 -7.7979 -7.7786 -7.7734 -3.7171 -3.7151 0.1989 0.2472 2.9497 3.0086 4.7506 4.7518 8.9487 8.9585 12.1784 12.3002 13.5629 13.6529 13.7650 13.7716 k = 0.5964 0.0103 0.3616 ( 1509 PWs) bands (ev): -8.3276 -8.2885 -8.2546 -8.2428 -7.9020 -7.8300 -7.8034 -7.7975 -7.7790 -7.7733 -3.6882 -3.6864 0.1878 0.2373 2.9015 2.9612 4.7132 4.7144 8.9151 8.9240 12.1605 12.2807 13.6271 13.7134 13.9016 13.9068 k = 0.6000 0.0000 0.3674 ( 1507 PWs) bands (ev): -8.3281 -8.2889 -8.2543 -8.2424 -7.9024 -7.8304 -7.8023 -7.7972 -7.7793 -7.7731 -3.6604 -3.6589 0.1746 0.2251 2.8625 2.9229 4.6771 4.6784 8.8817 8.8898 12.1085 12.2218 13.7315 13.8083 14.0385 14.0427 k = 0.6036-0.0103 0.3733 ( 1504 PWs) bands (ev): -8.3284 -8.2892 -8.2540 -8.2421 -7.9026 -7.8308 -7.8012 -7.7969 -7.7796 -7.7730 -3.6341 -3.6328 0.1596 0.2108 2.8328 2.8935 4.6426 4.6439 8.8489 8.8562 12.0303 12.1345 13.8659 13.9306 14.1727 14.1763 k = 0.6071-0.0206 0.3791 ( 1508 PWs) bands (ev): -8.3288 -8.2895 -8.2538 -8.2419 -7.9027 -7.8313 -7.8002 -7.7967 -7.7800 -7.7728 -3.6096 -3.6085 0.1434 0.1950 2.8122 2.8730 4.6095 4.6109 8.8171 8.8238 11.9337 12.0289 14.0195 14.0710 14.3025 14.3058 k = 0.6107-0.0309 0.3849 ( 1506 PWs) bands (ev): -8.3290 -8.2899 -8.2536 -8.2417 -7.9027 -7.8318 -7.7992 -7.7964 -7.7803 -7.7727 -3.5872 -3.5864 0.1265 0.1782 2.8005 2.8611 4.5782 4.5796 8.7866 8.7927 11.8250 11.9119 14.1831 14.2205 14.4267 14.4298 k = 0.6143-0.0412 0.3908 ( 1506 PWs) bands (ev): -8.3292 -8.2902 -8.2534 -8.2416 -7.9026 -7.8323 -7.7982 -7.7963 -7.7807 -7.7725 -3.5674 -3.5668 0.1096 0.1612 2.7973 2.8576 4.5485 4.5500 8.7578 8.7633 11.7086 11.7884 14.3476 14.3697 14.5440 14.5471 k = 0.6179-0.0515 0.3966 ( 1506 PWs) bands (ev): -8.3293 -8.2905 -8.2532 -8.2416 -7.9024 -7.8329 -7.7973 -7.7961 -7.7810 -7.7724 -3.5506 -3.5501 0.0936 0.1447 2.8023 2.8620 4.5207 4.5223 8.7307 8.7357 11.5875 11.6611 14.5019 14.5072 14.6534 14.6569 k = 0.6214-0.0619 0.4024 ( 1506 PWs) bands (ev): -8.3294 -8.2909 -8.2530 -8.2416 -7.9021 -7.8335 -7.7964 -7.7960 -7.7813 -7.7723 -3.5370 -3.5367 0.0792 0.1296 2.8149 2.8738 4.4947 4.4964 8.7057 8.7101 11.4638 11.5322 14.6194 14.6305 14.7528 14.7570 k = 0.6250-0.0722 0.4082 ( 1514 PWs) bands (ev): -8.3294 -8.2913 -8.2529 -8.2417 -7.9018 -7.8341 -7.7959 -7.7956 -7.7816 -7.7722 -3.5272 -3.5270 0.0671 0.1167 2.8346 2.8927 4.4707 4.4725 8.6827 8.6867 11.3390 11.4030 14.6952 14.7179 14.8386 14.8420 k = 0.6250-0.0722 0.4082 ( 1514 PWs) bands (ev): -8.3294 -8.2913 -8.2529 -8.2417 -7.9018 -7.8341 -7.7959 -7.7956 -7.7816 -7.7722 -3.5272 -3.5270 0.0671 0.1167 2.8346 2.8927 4.4707 4.4725 8.6827 8.6867 11.3390 11.4030 14.6952 14.7179 14.8386 14.8420 k = 0.6188-0.0686 0.4185 ( 1507 PWs) bands (ev): -8.3294 -8.2912 -8.2529 -8.2417 -7.9018 -7.8340 -7.7960 -7.7955 -7.7816 -7.7722 -3.5267 -3.5265 0.0672 0.1168 2.8357 2.8938 4.4630 4.4664 8.6938 8.6988 11.3398 11.4039 14.6738 14.7011 14.7794 14.8210 k = 0.6125-0.0650 0.4287 ( 1507 PWs) bands (ev): -8.3295 -8.2911 -8.2528 -8.2417 -7.9020 -7.8337 -7.7962 -7.7953 -7.7816 -7.7722 -3.5253 -3.5251 0.0674 0.1171 2.8388 2.8970 4.4412 4.4473 8.7272 8.7343 11.3419 11.4063 14.5998 14.6575 14.6654 14.7518 k = 0.6062-0.0613 0.4389 ( 1506 PWs) bands (ev): -8.3296 -8.2910 -8.2527 -8.2417 -7.9023 -7.8333 -7.7965 -7.7952 -7.7815 -7.7723 -3.5230 -3.5228 0.0677 0.1176 2.8439 2.9024 4.4067 4.4154 8.7825 8.7921 11.3454 11.4103 14.4777 14.5273 14.5935 14.6679 k = 0.6000-0.0577 0.4491 ( 1507 PWs) bands (ev): -8.3298 -8.2908 -8.2526 -8.2418 -7.9027 -7.8328 -7.7969 -7.7951 -7.7814 -7.7724 -3.5198 -3.5196 0.0681 0.1182 2.8511 2.9099 4.3607 4.3720 8.8586 8.8708 11.3502 11.4159 14.3312 14.3779 14.5100 14.5730 k = 0.5938-0.0541 0.4593 ( 1510 PWs) bands (ev): -8.3301 -8.2906 -8.2524 -8.2418 -7.9033 -7.8321 -7.7973 -7.7950 -7.7813 -7.7725 -3.5158 -3.5156 0.0686 0.1190 2.8603 2.9195 4.3049 4.3185 8.9540 8.9688 11.3562 11.4230 14.1751 14.2219 14.4106 14.4660 k = 0.5875-0.0505 0.4695 ( 1510 PWs) bands (ev): -8.3304 -8.2903 -8.2522 -8.2418 -7.9039 -7.8313 -7.7977 -7.7949 -7.7812 -7.7727 -3.5110 -3.5108 0.0690 0.1198 2.8715 2.9313 4.2409 4.2567 9.0671 9.0845 11.3634 11.4314 14.0150 14.0626 14.2988 14.3482 k = 0.5813-0.0469 0.4797 ( 1512 PWs) bands (ev): -8.3307 -8.2901 -8.2519 -8.2419 -7.9046 -7.8304 -7.7982 -7.7949 -7.7810 -7.7728 -3.5054 -3.5053 0.0695 0.1207 2.8846 2.9452 4.1707 4.1883 9.1961 9.2161 11.3716 11.4412 13.8536 13.9021 14.1778 14.2220 k = 0.5750-0.0433 0.4899 ( 1506 PWs) bands (ev): -8.3310 -8.2897 -8.2516 -8.2419 -7.9053 -7.8294 -7.7987 -7.7948 -7.7808 -7.7730 -3.4993 -3.4993 0.0699 0.1215 2.8996 2.9611 4.0958 4.1151 9.3392 9.3619 11.3807 11.4521 13.6921 13.7414 14.0503 14.0899 k = 0.5687-0.0397 0.5001 ( 1504 PWs) bands (ev): -8.3313 -8.2894 -8.2513 -8.2420 -7.9060 -7.8284 -7.7993 -7.7947 -7.7806 -7.7732 -3.4927 -3.4927 0.0701 0.1222 2.9164 2.9790 4.0181 4.0388 9.4946 9.5203 11.3903 11.4639 13.5314 13.5816 13.9186 13.9539 k = 0.5625-0.0361 0.5103 ( 1504 PWs) bands (ev): -8.3317 -8.2891 -8.2510 -8.2420 -7.9068 -7.8273 -7.7999 -7.7947 -7.7804 -7.7735 -3.4857 -3.4856 0.0702 0.1229 2.9350 2.9989 3.9390 3.9609 9.6608 9.6896 11.4003 11.4763 13.3719 13.4232 13.7847 13.8160 k = 0.5563-0.0325 0.5205 ( 1505 PWs) bands (ev): -8.3320 -8.2889 -8.2507 -8.2421 -7.9075 -7.8262 -7.8006 -7.7946 -7.7801 -7.7738 -3.4785 -3.4784 0.0700 0.1233 2.9551 3.0207 3.8600 3.8827 9.8361 9.8685 11.4102 11.4891 13.2143 13.2669 13.6504 13.6780 k = 0.5500-0.0289 0.5307 ( 1503 PWs) bands (ev): -8.3323 -8.2886 -8.2504 -8.2421 -7.9082 -7.8251 -7.8012 -7.7946 -7.7798 -7.7740 -3.4712 -3.4710 0.0696 0.1235 2.9767 3.0444 3.7825 3.8057 10.0188 10.0555 11.4197 11.5018 13.0590 13.1132 13.5172 13.5414 k = 0.5437-0.0253 0.5409 ( 1505 PWs) bands (ev): -8.3327 -8.2883 -8.2501 -8.2422 -7.9089 -7.8240 -7.8019 -7.7946 -7.7795 -7.7743 -3.4640 -3.4637 0.0690 0.1234 2.9994 3.0698 3.7075 3.7309 10.2071 10.2490 11.4282 11.5138 12.9065 12.9629 13.3868 13.4081 k = 0.5375-0.0217 0.5511 ( 1507 PWs) bands (ev): -8.3329 -8.2881 -8.2499 -8.2422 -7.9095 -7.8230 -7.8026 -7.7946 -7.7793 -7.7746 -3.4570 -3.4566 0.0681 0.1230 3.0230 3.0969 3.6365 3.6596 10.3988 10.4474 11.4350 11.5242 12.7577 12.8168 13.2609 13.2800 k = 0.5312-0.0180 0.5613 ( 1505 PWs) bands (ev): -8.3332 -8.2879 -8.2496 -8.2422 -7.9101 -7.8220 -7.8032 -7.7946 -7.7790 -7.7749 -3.4504 -3.4500 0.0670 0.1224 3.0470 3.1254 3.5703 3.5929 10.5910 10.6484 11.4395 11.5320 12.6135 12.6763 13.1414 13.1593 k = 0.5250-0.0144 0.5715 ( 1507 PWs) bands (ev): -8.3334 -8.2878 -8.2494 -8.2422 -7.9106 -7.8212 -7.8038 -7.7945 -7.7787 -7.7752 -3.4445 -3.4440 0.0657 0.1216 3.0704 3.1550 3.5101 3.5324 10.7793 10.8491 11.4412 11.5358 12.4758 12.5437 13.0310 13.0486 k = 0.5188-0.0108 0.5818 ( 1507 PWs) bands (ev): -8.3336 -8.2877 -8.2493 -8.2422 -7.9109 -7.8205 -7.8044 -7.7945 -7.7784 -7.7755 -3.4395 -3.4390 0.0644 0.1207 3.0921 3.1849 3.4567 3.4801 10.9560 11.0444 11.4403 11.5338 12.3479 12.4229 12.9334 12.9512 k = 0.5125-0.0072 0.5920 ( 1507 PWs) bands (ev): -8.3337 -8.2876 -8.2492 -8.2422 -7.9112 -7.8199 -7.8048 -7.7945 -7.7781 -7.7758 -3.4356 -3.4350 0.0632 0.1198 3.1101 3.2138 3.4113 3.4392 11.1072 11.2247 11.4391 11.5239 12.2362 12.3208 12.8538 12.8712 k = 0.5062-0.0036 0.6022 ( 1503 PWs) bands (ev): -8.3338 -8.2875 -8.2491 -8.2422 -7.9114 -7.8195 -7.8050 -7.7945 -7.7779 -7.7759 -3.4331 -3.4325 0.0623 0.1191 3.1220 3.2377 3.3775 3.4133 11.2082 11.3701 11.4439 11.5051 12.1541 12.2498 12.7996 12.8145 k = 0.5000 0.0000 0.6124 ( 1480 PWs) bands (ev): -8.3337 -8.2874 -8.2489 -8.2421 -7.9113 -7.8193 -7.8050 -7.7944 -7.7777 -7.7759 -3.4322 -3.4316 0.0619 0.1188 3.1260 3.2478 3.3641 3.4046 11.2397 11.4330 11.4543 11.4892 12.1231 12.2245 12.7798 12.7920 k = 0.5000 0.0000 0.6124 ( 1480 PWs) bands (ev): -8.3337 -8.2874 -8.2489 -8.2421 -7.9113 -7.8193 -7.8050 -7.7944 -7.7777 -7.7759 -3.4322 -3.4316 0.0619 0.1188 3.1260 3.2478 3.3641 3.4046 11.2397 11.4330 11.4543 11.4892 12.1231 12.2245 12.7798 12.7920 k = 0.5000 0.0072 0.6022 ( 1506 PWs) bands (ev): -8.3338 -8.2875 -8.2491 -8.2422 -7.9114 -7.8194 -7.8051 -7.7945 -7.7779 -7.7760 -3.4339 -3.4333 0.0633 0.1202 3.1167 3.2286 3.3861 3.4194 11.2156 11.3833 11.4684 11.5331 12.1196 12.2181 12.7925 12.8144 k = 0.5000 0.0144 0.5920 ( 1508 PWs) bands (ev): -8.3337 -8.2875 -8.2492 -8.2422 -7.9113 -7.8195 -7.8052 -7.7946 -7.7779 -7.7760 -3.4390 -3.4384 0.0675 0.1243 3.0933 3.1912 3.4321 3.4589 11.1600 11.3075 11.5010 11.5814 12.1148 12.2048 12.8351 12.8705 k = 0.5000 0.0217 0.5818 ( 1508 PWs) bands (ev): -8.3336 -8.2875 -8.2493 -8.2422 -7.9111 -7.8196 -7.8054 -7.7946 -7.7778 -7.7760 -3.4473 -3.4468 0.0742 0.1311 3.0638 3.1523 3.4871 3.5136 11.0912 11.2278 11.5262 11.6089 12.1206 12.1980 12.9033 12.9493 k = 0.5000 0.0289 0.5715 ( 1508 PWs) bands (ev): -8.3334 -8.2875 -8.2496 -8.2422 -7.9109 -7.8197 -7.8056 -7.7947 -7.7778 -7.7760 -3.4588 -3.4584 0.0834 0.1401 3.0339 3.1164 3.5484 3.5764 11.0172 11.1466 11.5310 11.6097 12.1458 12.2115 12.9899 13.0437 k = 0.5000 0.0361 0.5613 ( 1510 PWs) bands (ev): -8.3332 -8.2874 -8.2498 -8.2422 -7.9106 -7.8198 -7.8058 -7.7948 -7.7777 -7.7760 -3.4733 -3.4731 0.0945 0.1511 3.0066 3.0853 3.6144 3.6440 10.9410 11.0649 11.5118 11.5860 12.1902 12.2523 13.0895 13.1490 k = 0.5000 0.0433 0.5511 ( 1506 PWs) bands (ev): -8.3329 -8.2874 -8.2501 -8.2422 -7.9103 -7.8200 -7.8061 -7.7949 -7.7776 -7.7759 -3.4906 -3.4905 0.1073 0.1636 2.9838 3.0599 3.6843 3.7150 10.8639 10.9833 11.4730 11.5443 12.2506 12.3170 13.1985 13.2625 k = 0.5000 0.0505 0.5409 ( 1508 PWs) bands (ev): -8.3325 -8.2873 -8.2504 -8.2423 -7.9099 -7.8202 -7.8065 -7.7951 -7.7775 -7.7759 -3.5106 -3.5104 0.1212 0.1773 2.9666 3.0409 3.7571 3.7886 10.7866 10.9019 11.4218 11.4912 12.3237 12.3974 13.3147 13.3822 k = 0.5000 0.0577 0.5307 ( 1510 PWs) bands (ev): -8.3321 -8.2873 -8.2508 -8.2424 -7.9094 -7.8204 -7.8069 -7.7953 -7.7775 -7.7759 -3.5331 -3.5326 0.1358 0.1914 2.9559 3.0288 3.8323 3.8643 10.7093 10.8207 11.3644 11.4321 12.4062 12.4873 13.4364 13.5069 k = 0.5000 0.0650 0.5205 ( 1506 PWs) bands (ev): -8.3316 -8.2872 -8.2512 -8.2425 -7.9088 -7.8206 -7.8074 -7.7955 -7.7773 -7.7758 -3.5576 -3.5569 0.1506 0.2056 2.9524 3.0241 3.9094 3.9416 10.6322 10.7396 11.3048 11.3703 12.4947 12.5828 13.5627 13.6359 k = 0.5000 0.0722 0.5103 ( 1506 PWs) bands (ev): -8.3311 -8.2871 -8.2516 -8.2426 -7.9082 -7.8208 -7.8079 -7.7957 -7.7772 -7.7758 -3.5840 -3.5830 0.1650 0.2192 2.9567 3.0273 3.9880 4.0202 10.5551 10.6584 11.2456 11.3085 12.5869 12.6815 13.6925 13.7683 k = 0.5000 0.0794 0.5001 ( 1504 PWs) bands (ev): -8.3306 -8.2870 -8.2521 -8.2428 -7.9075 -7.8211 -7.8084 -7.7960 -7.7771 -7.7757 -3.6119 -3.6107 0.1786 0.2319 2.9691 3.0386 4.0676 4.0997 10.4779 10.5769 11.1886 11.2484 12.6806 12.7812 13.8251 13.9035 k = 0.5000 0.0866 0.4899 ( 1506 PWs) bands (ev): -8.3300 -8.2869 -8.2525 -8.2431 -7.9067 -7.8214 -7.8090 -7.7964 -7.7769 -7.7757 -3.6411 -3.6396 0.1910 0.2431 2.9901 3.0584 4.1480 4.1798 10.4005 10.4949 11.1350 11.1911 12.7737 12.8803 13.9593 14.0406 k = 0.5000 0.0938 0.4797 ( 1512 PWs) bands (ev): -8.3293 -8.2868 -8.2530 -8.2435 -7.9059 -7.8217 -7.8097 -7.7967 -7.7768 -7.7756 -3.6713 -3.6695 0.2017 0.2524 3.0198 3.0869 4.2287 4.2602 10.3224 10.4121 11.0855 11.1376 12.8638 12.9764 14.0937 14.1785 k = 0.5000 0.1010 0.4695 ( 1510 PWs) bands (ev): -8.3286 -8.2867 -8.2535 -8.2439 -7.9049 -7.8220 -7.8103 -7.7971 -7.7766 -7.7755 -3.7022 -3.7002 0.2106 0.2598 3.0584 3.1241 4.3095 4.3406 10.2435 10.3283 11.0409 11.0886 12.9482 13.0667 14.2253 14.3148 k = 0.5000 0.1083 0.4593 ( 1506 PWs) bands (ev): -8.3278 -8.2866 -8.2540 -8.2444 -7.9039 -7.8224 -7.8110 -7.7975 -7.7765 -7.7754 -3.7336 -3.7314 0.2173 0.2648 3.1059 3.1700 4.3901 4.4206 10.1634 10.2432 11.0015 11.0447 13.0229 13.1469 14.3469 14.4431 k = 0.5000 0.1155 0.4491 ( 1508 PWs) bands (ev): -8.3270 -8.2865 -8.2545 -8.2449 -7.9028 -7.8227 -7.8117 -7.7980 -7.7763 -7.7754 -3.7654 -3.7629 0.2219 0.2675 3.1621 3.2246 4.4701 4.5001 10.0818 10.1567 10.9677 11.0062 13.0826 13.2108 14.4396 14.5448 k = 0.5000 0.1227 0.4389 ( 1508 PWs) bands (ev): -8.3261 -8.2863 -8.2551 -8.2456 -7.9016 -7.8231 -7.8125 -7.7985 -7.7761 -7.7752 -3.7971 -3.7945 0.2244 0.2679 3.2269 3.2877 4.5492 4.5786 9.9982 10.0683 10.9396 10.9736 13.1204 13.2496 14.4693 14.5758 k = 0.5000 0.1299 0.4287 ( 1508 PWs) bands (ev): -8.3252 -8.2862 -8.2556 -8.2463 -7.9004 -7.8235 -7.8132 -7.7990 -7.7759 -7.7751 -3.8287 -3.8259 0.2246 0.2661 3.2999 3.3589 4.6272 4.6559 9.9125 9.9780 10.9174 10.9469 13.1285 13.2531 14.4444 14.5384 k = 0.5000 0.1371 0.4185 ( 1514 PWs) bands (ev): -8.3242 -8.2861 -8.2561 -8.2471 -7.8991 -7.8240 -7.8140 -7.7996 -7.7758 -7.7750 -3.8600 -3.8571 0.2229 0.2622 3.3808 3.4379 4.7037 4.7317 9.8243 9.8855 10.9011 10.9264 13.1010 13.2140 14.4214 14.4975 k = 0.5000 0.1443 0.4082 ( 1514 PWs) bands (ev): -8.3232 -8.2860 -8.2567 -8.2480 -7.8976 -7.8245 -7.8148 -7.8003 -7.7755 -7.7749 -3.8908 -3.8877 0.2193 0.2563 3.4691 3.5243 4.7785 4.8057 9.7333 9.7904 10.8908 10.9121 13.0371 13.1336 14.4275 14.4834 k = 0.5000 0.1516 0.3980 ( 1504 PWs) bands (ev): -8.3220 -8.2858 -8.2572 -8.2489 -7.8960 -7.8250 -7.8154 -7.8008 -7.7753 -7.7747 -3.9209 -3.9177 0.2141 0.2489 3.5643 3.6177 4.8513 4.8776 9.6392 9.6926 10.8864 10.9040 12.9426 13.0217 14.4625 14.4993 k = 0.5000 0.1588 0.3878 ( 1504 PWs) bands (ev): -8.3209 -8.2857 -8.2577 -8.2499 -7.8944 -7.8257 -7.8161 -7.8015 -7.7751 -7.7745 -3.9502 -3.9469 0.2075 0.2401 3.6660 3.7176 4.9218 4.9472 9.5417 9.5917 10.8878 10.9021 12.8265 12.8900 14.5170 14.5392 k = 0.5000 0.1660 0.3776 ( 1508 PWs) bands (ev): -8.3197 -8.2856 -8.2583 -8.2509 -7.8928 -7.8264 -7.8167 -7.8022 -7.7749 -7.7744 -3.9785 -3.9752 0.1998 0.2301 3.7736 3.8234 4.9898 5.0143 9.4406 9.4875 10.8949 10.9063 12.6977 12.7485 14.5804 14.5962 k = 0.5000 0.1732 0.3674 ( 1506 PWs) bands (ev): -8.3185 -8.2856 -8.2588 -8.2520 -7.8910 -7.8273 -7.8172 -7.8030 -7.7746 -7.7742 -4.0058 -4.0025 0.1911 0.2193 3.8865 3.9345 5.0551 5.0785 9.3357 9.3799 10.9076 10.9162 12.5633 12.6040 14.6447 14.6631 k = 0.5000 0.1804 0.3572 ( 1506 PWs) bands (ev): -8.3172 -8.2855 -8.2594 -8.2532 -7.8892 -7.8283 -7.8176 -7.8037 -7.7744 -7.7741 -4.0319 -4.0286 0.1818 0.2079 4.0041 4.0504 5.1174 5.1397 9.2269 9.2686 10.9254 10.9318 12.4284 12.4612 14.7070 14.7303 k = 0.5000 0.1876 0.3470 ( 1500 PWs) bands (ev): -8.3158 -8.2855 -8.2599 -8.2543 -7.8872 -7.8294 -7.8179 -7.8044 -7.7742 -7.7739 -4.0567 -4.0534 0.1721 0.1961 4.1257 4.1703 5.1766 5.1978 9.1142 9.1537 10.9481 10.9526 12.2966 12.3232 14.7636 14.7911 k = 0.5000 0.1949 0.3368 ( 1500 PWs) bands (ev): -8.3145 -8.2855 -8.2604 -8.2556 -7.8853 -7.8307 -7.8181 -7.8052 -7.7740 -7.7737 -4.0801 -4.0769 0.1622 0.1841 4.2506 4.2937 5.2325 5.2525 8.9978 9.0353 10.9752 10.9782 12.1705 12.1921 14.8104 14.8403 k = 0.5000 0.2021 0.3266 ( 1506 PWs) bands (ev): -8.3131 -8.2856 -8.2610 -8.2568 -7.8832 -7.8321 -7.8182 -7.8060 -7.7738 -7.7736 -4.1021 -4.0990 0.1523 0.1723 4.3781 4.4196 5.2850 5.3037 8.8780 8.9136 11.0061 11.0082 12.0517 12.0692 14.8437 14.8744 k = 0.5000 0.2093 0.3164 ( 1506 PWs) bands (ev): -8.3116 -8.2857 -8.2615 -8.2580 -7.8811 -7.8336 -7.8182 -7.8067 -7.7736 -7.7734 -4.1225 -4.1196 0.1426 0.1607 4.5072 4.5471 5.3340 5.3515 8.7554 8.7892 11.0401 11.0421 11.9414 11.9557 14.8609 14.8907 k = 0.5000 0.2165 0.3062 ( 1502 PWs) bands (ev): -8.3101 -8.2859 -8.2620 -8.2591 -7.8790 -7.8353 -7.8181 -7.8074 -7.7734 -7.7733 -4.1413 -4.1386 0.1332 0.1495 4.6369 4.6753 5.3796 5.3957 8.6308 8.6629 11.0766 11.0788 11.8405 11.8522 14.8609 14.8885 k = 0.5000 0.2237 0.2960 ( 1500 PWs) bands (ev): -8.3086 -8.2862 -8.2624 -8.2602 -7.8768 -7.8370 -7.8180 -7.8082 -7.7732 -7.7731 -4.1585 -4.1559 0.1244 0.1389 4.7659 4.8028 5.4217 5.4364 8.5052 8.5356 11.1148 11.1174 11.7494 11.7589 14.8446 14.8692 k = 0.5000 0.2309 0.2858 ( 1494 PWs) bands (ev): -8.3070 -8.2866 -8.2629 -8.2612 -7.8745 -7.8388 -7.8177 -7.8089 -7.7730 -7.7730 -4.1740 -4.1716 0.1163 0.1290 4.8928 4.9279 5.4605 5.4738 8.3802 8.4087 11.1538 11.1567 11.6684 11.6762 14.8146 14.8357 k = 0.5000 0.2382 0.2756 ( 1498 PWs) bands (ev): -8.3054 -8.2871 -8.2633 -8.2621 -7.8722 -7.8407 -7.8175 -7.8097 -7.7729 -7.7729 -4.1877 -4.1856 0.1089 0.1199 5.0153 5.0485 5.4964 5.5082 8.2575 8.2841 11.1923 11.1953 11.5979 11.6041 14.7745 14.7922 k = 0.5000 0.2454 0.2654 ( 1500 PWs) bands (ev): -8.3039 -8.2878 -8.2637 -8.2629 -7.8699 -7.8427 -7.8172 -7.8104 -7.7728 -7.7728 -4.1997 -4.1978 0.1024 0.1118 5.1309 5.1619 5.5299 5.5402 8.1395 8.1638 11.2289 11.2318 11.5379 11.5428 14.7289 14.7432 k = 0.5000 0.2526 0.2552 ( 1498 PWs) bands (ev): -8.3023 -8.2886 -8.2641 -8.2636 -7.8676 -7.8448 -7.8168 -7.8111 -7.7727 -7.7727 -4.2098 -4.2083 0.0969 0.1046 5.2360 5.2640 5.5622 5.5707 8.0291 8.0508 11.2620 11.2646 11.4888 11.4926 14.6821 14.6934 k = 0.5000 0.2598 0.2449 ( 1492 PWs) bands (ev): -8.3006 -8.2896 -8.2644 -8.2641 -7.8652 -7.8469 -7.8163 -7.8118 -7.7726 -7.7726 -4.2181 -4.2168 0.0924 0.0986 5.3263 5.3501 5.5946 5.6010 7.9299 7.9485 11.2893 11.2913 11.4514 11.4541 14.6380 14.6467 k = 0.5000 0.2670 0.2347 ( 1494 PWs) bands (ev): -8.2991 -8.2906 -8.2646 -8.2645 -7.8629 -7.8491 -7.8159 -7.8124 -7.7725 -7.7725 -4.2246 -4.2236 0.0890 0.0936 5.3971 5.4153 5.6279 5.6318 7.8462 7.8610 11.3082 11.3095 11.4267 11.4282 14.6002 14.6064 k = 0.5000 0.2742 0.2245 ( 1494 PWs) bands (ev): -8.2975 -8.2918 -8.2648 -8.2648 -7.8605 -7.8513 -7.8154 -7.8131 -7.7725 -7.7725 -4.2291 -4.2285 0.0868 0.0898 5.4459 5.4578 5.6596 5.6610 7.7824 7.7928 11.3174 11.3179 11.4147 11.4153 14.5714 14.5754 k = 0.5000 0.2815 0.2143 ( 1502 PWs) bands (ev): -8.2960 -8.2932 -8.2650 -8.2650 -7.8583 -7.8536 -7.8149 -7.8137 -7.7725 -7.7725 -4.2318 -4.2315 0.0857 0.0873 5.4742 5.4798 5.6829 5.6831 7.7431 7.7485 11.3193 11.3194 11.4115 11.4116 14.5536 14.5556 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -8.2946 -8.2946 -8.2650 -8.2650 -7.8559 -7.8559 -7.8143 -7.8143 -7.7725 -7.7725 -4.2326 -4.2326 0.0859 0.0859 5.4849 5.4849 5.6915 5.6915 7.7314 7.7314 11.3191 11.3191 11.4113 11.4113 14.5482 14.5482 k = 0.5000 0.2887 0.2041 ( 1502 PWs) bands (ev): -8.2946 -8.2946 -8.2650 -8.2650 -7.8559 -7.8559 -7.8143 -7.8143 -7.7725 -7.7725 -4.2326 -4.2326 0.0859 0.0859 5.4849 5.4849 5.6915 5.6915 7.7314 7.7314 11.3191 11.3191 11.4113 11.4113 14.5482 14.5482 k = 0.4964 0.2866 0.2158 ( 1502 PWs) bands (ev): -8.2960 -8.2932 -8.2650 -8.2650 -7.8582 -7.8537 -7.8149 -7.8137 -7.7725 -7.7725 -4.2318 -4.2315 0.0857 0.0872 5.4743 5.4799 5.6831 5.6833 7.7428 7.7482 11.3193 11.3194 11.4115 11.4116 14.5535 14.5555 k = 0.4929 0.2846 0.2275 ( 1494 PWs) bands (ev): -8.2975 -8.2919 -8.2648 -8.2648 -7.8605 -7.8514 -7.8154 -7.8131 -7.7725 -7.7725 -4.2292 -4.2286 0.0867 0.0898 5.4467 5.4584 5.6603 5.6615 7.7813 7.7917 11.3177 11.3178 11.4148 11.4149 14.5709 14.5749 k = 0.4893 0.2825 0.2391 ( 1494 PWs) bands (ev): -8.2990 -8.2907 -8.2646 -8.2645 -7.8628 -7.8492 -7.8159 -7.8124 -7.7725 -7.7725 -4.2247 -4.2238 0.0889 0.0935 5.3989 5.4168 5.6295 5.6324 7.8439 7.8586 11.3094 11.3097 11.4266 11.4268 14.5991 14.6053 k = 0.4857 0.2804 0.2508 ( 1492 PWs) bands (ev): -8.3006 -8.2896 -8.2644 -8.2641 -7.8651 -7.8470 -7.8163 -7.8118 -7.7726 -7.7726 -4.2184 -4.2172 0.0922 0.0983 5.3295 5.3528 5.5973 5.6017 7.9260 7.9445 11.2920 11.2923 11.4504 11.4507 14.6363 14.6448 k = 0.4821 0.2784 0.2624 ( 1498 PWs) bands (ev): -8.3022 -8.2887 -8.2641 -8.2636 -7.8675 -7.8449 -7.8168 -7.8111 -7.7727 -7.7727 -4.2103 -4.2087 0.0966 0.1043 5.2406 5.2677 5.5666 5.5717 8.0233 8.0448 11.2672 11.2676 11.4859 11.4864 14.6796 14.6908 k = 0.4786 0.2763 0.2741 ( 1502 PWs) bands (ev): -8.3038 -8.2879 -8.2638 -8.2630 -7.8698 -7.8429 -7.8172 -7.8105 -7.7728 -7.7728 -4.2004 -4.1985 0.1020 0.1113 5.1365 5.1664 5.5367 5.5419 8.1312 8.1552 11.2381 11.2383 11.5318 11.5323 14.7256 14.7398 k = 0.4750 0.2742 0.2858 ( 1498 PWs) bands (ev): -8.3053 -8.2872 -8.2633 -8.2622 -7.8720 -7.8409 -7.8175 -7.8097 -7.7729 -7.7728 -4.1886 -4.1866 0.1084 0.1193 5.0215 5.0534 5.5066 5.5114 8.2458 8.2718 11.2074 11.2075 11.5869 11.5874 14.7702 14.7879 k = 0.4714 0.2722 0.2974 ( 1500 PWs) bands (ev): -8.3069 -8.2867 -8.2629 -8.2613 -7.8743 -7.8390 -7.8177 -7.8090 -7.7731 -7.7729 -4.1752 -4.1729 0.1156 0.1282 4.8990 4.9326 5.4752 5.4796 8.3636 8.3912 11.1776 11.1782 11.6506 11.6511 14.8088 14.8301 k = 0.4679 0.2701 0.3091 ( 1500 PWs) bands (ev): -8.3084 -8.2863 -8.2625 -8.2603 -7.8765 -7.8372 -7.8179 -7.8083 -7.7733 -7.7730 -4.1600 -4.1575 0.1236 0.1379 4.7716 4.8066 5.4422 5.4462 8.4813 8.5102 11.1513 11.1527 11.7222 11.7228 14.8364 14.8614 k = 0.4643 0.2681 0.3208 ( 1503 PWs) bands (ev): -8.3099 -8.2860 -8.2621 -8.2592 -7.8787 -7.8356 -7.8180 -7.8076 -7.7735 -7.7731 -4.1432 -4.1404 0.1323 0.1483 4.6413 4.6776 5.4075 5.4110 8.5959 8.6257 11.1313 11.1338 11.8014 11.8020 14.8483 14.8766 k = 0.4607 0.2660 0.3324 ( 1501 PWs) bands (ev): -8.3114 -8.2857 -8.2616 -8.2580 -7.8808 -7.8340 -7.8180 -7.8068 -7.7737 -7.7732 -4.1247 -4.1218 0.1414 0.1593 4.5096 4.5471 5.3710 5.3742 8.7045 8.7347 11.1202 11.1242 11.8877 11.8883 14.8407 14.8715 k = 0.4571 0.2639 0.3441 ( 1505 PWs) bands (ev): -8.3128 -8.2857 -8.2611 -8.2569 -7.8829 -7.8326 -7.8179 -7.8061 -7.7740 -7.7734 -4.1047 -4.1017 0.1510 0.1707 4.3776 4.4165 5.3329 5.3357 8.8041 8.8343 11.1207 11.1269 11.9807 11.9813 14.8114 14.8434 k = 0.4536 0.2619 0.3558 ( 1501 PWs) bands (ev): -8.3142 -8.2856 -8.2606 -8.2556 -7.8848 -7.8314 -7.8176 -7.8053 -7.7742 -7.7734 -4.0832 -4.0800 0.1607 0.1824 4.2466 4.2867 5.2934 5.2959 8.8922 8.9220 11.1352 11.1442 12.0801 12.0806 14.7605 14.7919 k = 0.4500 0.2598 0.3674 ( 1499 PWs) bands (ev): -8.3155 -8.2856 -8.2601 -8.2544 -7.8867 -7.8304 -7.8172 -7.8046 -7.7745 -7.7735 -4.0602 -4.0570 0.1704 0.1941 4.1173 4.1587 5.2527 5.2550 8.9666 8.9955 11.1658 11.1783 12.1854 12.1858 14.6897 14.7187 k = 0.4464 0.2577 0.3791 ( 1500 PWs) bands (ev): -8.3168 -8.2857 -8.2596 -8.2532 -7.8886 -7.8296 -7.8166 -7.8039 -7.7748 -7.7736 -4.0360 -4.0327 0.1799 0.2056 3.9905 4.0334 5.2110 5.2131 9.0260 9.0534 11.2134 11.2304 12.2962 12.2966 14.6021 14.6272 k = 0.4429 0.2557 0.3908 ( 1500 PWs) bands (ev): -8.3181 -8.2858 -8.2591 -8.2520 -7.8903 -7.8290 -7.8158 -7.8032 -7.7751 -7.7737 -4.0104 -4.0071 0.1889 0.2168 3.8670 3.9113 5.1686 5.1705 9.0696 9.0954 11.2784 11.3006 12.4122 12.4124 14.5012 14.5210 k = 0.4393 0.2536 0.4024 ( 1498 PWs) bands (ev): -8.3192 -8.2859 -8.2586 -8.2508 -7.8919 -7.8286 -7.8149 -7.8025 -7.7754 -7.7737 -3.9838 -3.9805 0.1973 0.2273 3.7474 3.7932 5.1257 5.1275 9.0981 9.1220 11.3598 11.3881 12.5329 12.5330 14.3907 14.4042 k = 0.4357 0.2516 0.4141 ( 1498 PWs) bands (ev): -8.3203 -8.2861 -8.2581 -8.2497 -7.8934 -7.8284 -7.8139 -7.8019 -7.7757 -7.7737 -3.9561 -3.9528 0.2047 0.2369 3.6324 3.6798 5.0826 5.0842 9.1127 9.1345 11.4555 11.4908 12.6578 12.6580 14.2742 14.2803 k = 0.4321 0.2495 0.4257 ( 1503 PWs) bands (ev): -8.3214 -8.2863 -8.2577 -8.2487 -7.8949 -7.8283 -7.8128 -7.8013 -7.7761 -7.7738 -3.9275 -3.9243 0.2108 0.2453 3.5226 3.5716 5.0393 5.0409 9.1152 9.1350 11.5626 11.6059 12.7863 12.7868 14.1529 14.1552 k = 0.4286 0.2474 0.4374 ( 1503 PWs) bands (ev): -8.3224 -8.2866 -8.2573 -8.2477 -7.8962 -7.8283 -7.8116 -7.8007 -7.7764 -7.7738 -3.8982 -3.8951 0.2155 0.2521 3.4187 3.4692 4.9963 4.9977 9.1075 9.1255 11.6772 11.7297 12.9182 12.9192 14.0256 14.0373 k = 0.4250 0.2454 0.4491 ( 1505 PWs) bands (ev): -8.3234 -8.2868 -8.2568 -8.2468 -7.8974 -7.8284 -7.8105 -7.8001 -7.7768 -7.7738 -3.8683 -3.8653 0.2183 0.2572 3.3212 3.3734 4.9535 4.9549 9.0918 9.1080 11.7948 11.8580 13.0527 13.0544 13.9023 13.9246 k = 0.4214 0.2433 0.4607 ( 1505 PWs) bands (ev): -8.3242 -8.2871 -8.2564 -8.2459 -7.8985 -7.8285 -7.8093 -7.7996 -7.7771 -7.7737 -3.8380 -3.8352 0.2192 0.2602 3.2308 3.2845 4.9113 4.9126 9.0699 9.0846 11.9097 11.9853 13.1889 13.1920 13.7882 13.8222 k = 0.4179 0.2412 0.4724 ( 1511 PWs) bands (ev): -8.3251 -8.2874 -8.2560 -8.2452 -7.8995 -7.8287 -7.8081 -7.7991 -7.7775 -7.7737 -3.8075 -3.8048 0.2178 0.2608 3.1480 3.2032 4.8697 4.8710 9.0434 9.0566 12.0146 12.1041 13.3251 13.3310 13.6913 13.7369 k = 0.4143 0.2392 0.4841 ( 1511 PWs) bands (ev): -8.3258 -8.2876 -8.2556 -8.2445 -7.9003 -7.8290 -7.8069 -7.7987 -7.7779 -7.7736 -3.7770 -3.7746 0.2140 0.2590 3.0732 3.1298 4.8290 4.8302 9.0137 9.0256 12.1006 12.2044 13.4547 13.4699 13.6272 13.6779 k = 0.4107 0.2371 0.4957 ( 1511 PWs) bands (ev): -8.3265 -8.2879 -8.2553 -8.2438 -7.9010 -7.8293 -7.8057 -7.7983 -7.7783 -7.7735 -3.7468 -3.7445 0.2077 0.2544 3.0070 3.0648 4.7892 4.7904 8.9818 8.9926 12.1578 12.2736 13.5329 13.5982 13.6516 13.6642 k = 0.4071 0.2351 0.5074 ( 1511 PWs) bands (ev): -8.3271 -8.2882 -8.2549 -8.2433 -7.9016 -7.8296 -7.8046 -7.7979 -7.7786 -7.7734 -3.7171 -3.7151 0.1989 0.2472 2.9497 3.0086 4.7506 4.7518 8.9487 8.9585 12.1784 12.3002 13.5629 13.6529 13.7650 13.7716 k = 0.4036 0.2330 0.5191 ( 1509 PWs) bands (ev): -8.3276 -8.2885 -8.2546 -8.2428 -7.9020 -7.8300 -7.8034 -7.7975 -7.7790 -7.7733 -3.6882 -3.6864 0.1878 0.2373 2.9015 2.9612 4.7132 4.7144 8.9151 8.9240 12.1605 12.2807 13.6271 13.7134 13.9016 13.9068 k = 0.4000 0.2309 0.5307 ( 1507 PWs) bands (ev): -8.3281 -8.2889 -8.2543 -8.2424 -7.9024 -7.8304 -7.8023 -7.7972 -7.7793 -7.7731 -3.6604 -3.6589 0.1746 0.2251 2.8625 2.9229 4.6771 4.6784 8.8817 8.8898 12.1085 12.2218 13.7315 13.8083 14.0385 14.0427 k = 0.3964 0.2289 0.5424 ( 1504 PWs) bands (ev): -8.3284 -8.2892 -8.2540 -8.2421 -7.9026 -7.8308 -7.8012 -7.7969 -7.7796 -7.7730 -3.6341 -3.6328 0.1596 0.2108 2.8328 2.8935 4.6426 4.6439 8.8489 8.8562 12.0303 12.1345 13.8659 13.9306 14.1727 14.1763 k = 0.3929 0.2268 0.5541 ( 1508 PWs) bands (ev): -8.3288 -8.2895 -8.2538 -8.2419 -7.9027 -7.8313 -7.8002 -7.7967 -7.7800 -7.7728 -3.6096 -3.6085 0.1434 0.1950 2.8122 2.8730 4.6095 4.6109 8.8171 8.8238 11.9337 12.0289 14.0195 14.0710 14.3025 14.3058 k = 0.3893 0.2248 0.5657 ( 1506 PWs) bands (ev): -8.3290 -8.2899 -8.2536 -8.2417 -7.9027 -7.8318 -7.7992 -7.7964 -7.7803 -7.7727 -3.5872 -3.5864 0.1265 0.1782 2.8005 2.8611 4.5782 4.5796 8.7866 8.7927 11.8250 11.9119 14.1831 14.2205 14.4267 14.4298 k = 0.3857 0.2227 0.5774 ( 1506 PWs) bands (ev): -8.3292 -8.2902 -8.2534 -8.2416 -7.9026 -7.8323 -7.7982 -7.7963 -7.7807 -7.7725 -3.5674 -3.5668 0.1096 0.1612 2.7973 2.8576 4.5485 4.5500 8.7578 8.7633 11.7086 11.7884 14.3476 14.3697 14.5440 14.5471 k = 0.3821 0.2206 0.5890 ( 1506 PWs) bands (ev): -8.3293 -8.2905 -8.2532 -8.2416 -7.9024 -7.8329 -7.7973 -7.7961 -7.7810 -7.7724 -3.5506 -3.5501 0.0936 0.1447 2.8023 2.8620 4.5207 4.5223 8.7307 8.7357 11.5875 11.6611 14.5019 14.5072 14.6534 14.6569 k = 0.3786 0.2186 0.6007 ( 1506 PWs) bands (ev): -8.3294 -8.2909 -8.2530 -8.2416 -7.9021 -7.8335 -7.7964 -7.7960 -7.7813 -7.7723 -3.5370 -3.5367 0.0792 0.1296 2.8149 2.8738 4.4947 4.4964 8.7057 8.7101 11.4638 11.5322 14.6194 14.6305 14.7528 14.7570 k = 0.3750 0.2165 0.6124 ( 1514 PWs) bands (ev): -8.3294 -8.2913 -8.2529 -8.2417 -7.9018 -7.8341 -7.7959 -7.7956 -7.7816 -7.7722 -3.5272 -3.5270 0.0671 0.1167 2.8346 2.8927 4.4707 4.4725 8.6827 8.6867 11.3390 11.4030 14.6952 14.7179 14.8386 14.8420 k = 0.6250-0.0722 0.4082 ( 1514 PWs) bands (ev): -8.3294 -8.2913 -8.2529 -8.2417 -7.9018 -7.8341 -7.7959 -7.7956 -7.7816 -7.7722 -3.5272 -3.5270 0.0671 0.1167 2.8346 2.8927 4.4707 4.4725 8.6827 8.6867 11.3390 11.4030 14.6952 14.7179 14.8386 14.8420 k = 0.6188-0.0830 0.4082 ( 1502 PWs) bands (ev): -8.3292 -8.2918 -8.2527 -8.2419 -7.9009 -7.8352 -7.7956 -7.7941 -7.7821 -7.7720 -3.5146 -3.5145 0.0495 0.0972 2.8785 2.9348 4.4313 4.4333 8.6451 8.6483 11.1195 11.1770 14.7971 14.8319 14.9763 14.9765 k = 0.6125-0.0938 0.4082 ( 1502 PWs) bands (ev): -8.3289 -8.2925 -8.2525 -8.2421 -7.8999 -7.8363 -7.7954 -7.7927 -7.7827 -7.7718 -3.5044 -3.5043 0.0332 0.0789 2.9289 2.9833 4.3936 4.3958 8.6089 8.6113 10.8993 10.9513 14.9061 14.9506 15.1132 15.1151 k = 0.6062-0.1046 0.4082 ( 1498 PWs) bands (ev): -8.3286 -8.2932 -8.2523 -8.2424 -7.8987 -7.8375 -7.7952 -7.7914 -7.7832 -7.7717 -3.4963 -3.4962 0.0183 0.0618 2.9854 3.0379 4.3576 4.3601 8.5742 8.5758 10.6800 10.7276 15.0211 15.0736 15.2510 15.2544 k = 0.6000-0.1155 0.4082 ( 1500 PWs) bands (ev): -8.3282 -8.2940 -8.2521 -8.2427 -7.8975 -7.8388 -7.7951 -7.7900 -7.7837 -7.7716 -3.4901 -3.4899 0.0045 0.0458 3.0476 3.0981 4.3235 4.3263 8.5410 8.5419 10.4632 10.5071 15.1409 15.2002 15.3892 15.3938 k = 0.5938-0.1263 0.4082 ( 1500 PWs) bands (ev): -8.3277 -8.2949 -8.2519 -8.2431 -7.8961 -7.8402 -7.7949 -7.7887 -7.7843 -7.7715 -3.4855 -3.4853 -0.0083 0.0306 3.1149 3.1633 4.2912 4.2943 8.5095 8.5096 10.2500 10.2907 15.2645 15.3298 15.5272 15.5328 k = 0.5875-0.1371 0.4082 ( 1502 PWs) bands (ev): -8.3272 -8.2958 -8.2517 -8.2435 -7.8947 -7.8416 -7.7947 -7.7874 -7.7849 -7.7714 -3.4824 -3.4822 -0.0201 0.0163 3.1867 3.2330 4.2609 4.2642 8.4789 8.4797 10.0415 10.0796 15.3912 15.4618 15.6644 15.6709 k = 0.5813-0.1479 0.4082 ( 1506 PWs) bands (ev): -8.3266 -8.2968 -8.2515 -8.2439 -7.8931 -7.8431 -7.7945 -7.7862 -7.7854 -7.7714 -3.4805 -3.4803 -0.0310 0.0028 3.2622 3.3064 4.2324 4.2362 8.4500 8.4516 9.8389 9.8747 15.5202 15.5957 15.8002 15.8076 k = 0.5750-0.1588 0.4082 ( 1506 PWs) bands (ev): -8.3259 -8.2978 -8.2513 -8.2443 -7.8915 -7.8446 -7.7943 -7.7859 -7.7850 -7.7713 -3.4796 -3.4794 -0.0411 -0.0099 3.3405 3.3826 4.2060 4.2102 8.4227 8.4253 9.6431 9.6770 15.6509 15.7308 15.9339 15.9422 k = 0.5687-0.1696 0.4082 ( 1510 PWs) bands (ev): -8.3252 -8.2989 -8.2512 -8.2448 -7.8897 -7.8462 -7.7941 -7.7865 -7.7838 -7.7714 -3.4795 -3.4793 -0.0504 -0.0218 3.4207 3.4607 4.1816 4.1863 8.3971 8.4007 9.4553 9.4875 15.7824 15.8665 16.0647 16.0739 k = 0.5625-0.1804 0.4082 ( 1510 PWs) bands (ev): -8.3243 -8.3001 -8.2510 -8.2452 -7.8879 -7.8478 -7.7939 -7.7870 -7.7827 -7.7714 -3.4801 -3.4799 -0.0589 -0.0329 3.5017 3.5395 4.1593 4.1645 8.3732 8.3777 9.2767 9.3074 15.9141 16.0020 16.1917 16.2018 k = 0.5563-0.1912 0.4082 ( 1506 PWs) bands (ev): -8.3234 -8.3012 -8.2507 -8.2456 -7.8860 -7.8495 -7.7936 -7.7875 -7.7816 -7.7715 -3.4811 -3.4809 -0.0665 -0.0431 3.5821 3.6178 4.1391 4.1450 8.3507 8.3564 9.1087 9.1381 16.0452 16.1365 16.3137 16.3250 k = 0.5500-0.2021 0.4082 ( 1508 PWs) bands (ev): -8.3225 -8.3024 -8.2505 -8.2460 -7.8840 -7.8513 -7.7934 -7.7880 -7.7806 -7.7716 -3.4824 -3.4823 -0.0733 -0.0525 3.6606 3.6942 4.1211 4.1278 8.3296 8.3365 8.9528 8.9811 16.1745 16.2689 16.4295 16.4421 k = 0.5437-0.2129 0.4082 ( 1514 PWs) bands (ev): -8.3215 -8.3037 -8.2504 -8.2464 -7.8821 -7.8532 -7.7932 -7.7885 -7.7796 -7.7718 -3.4839 -3.4838 -0.0792 -0.0611 3.7355 3.7671 4.1055 4.1130 8.3095 8.3177 8.8108 8.8380 16.3010 16.3978 16.5376 16.5518 k = 0.5375-0.2237 0.4082 ( 1514 PWs) bands (ev): -8.3204 -8.3050 -8.2502 -8.2468 -7.8800 -7.8551 -7.7930 -7.7890 -7.7787 -7.7720 -3.4855 -3.4854 -0.0842 -0.0687 3.8050 3.8347 4.0923 4.1010 8.2899 8.2995 8.6849 8.7110 16.4231 16.5215 16.6363 16.6526 k = 0.5312-0.2345 0.4082 ( 1514 PWs) bands (ev): -8.3193 -8.3063 -8.2499 -8.2471 -7.8779 -7.8570 -7.7927 -7.7894 -7.7778 -7.7723 -3.4870 -3.4869 -0.0883 -0.0754 3.8671 3.8948 4.0821 4.0920 8.2700 8.2808 8.5778 8.6025 16.5389 16.6374 16.7237 16.7427 k = 0.5250-0.2454 0.4082 ( 1516 PWs) bands (ev): -8.3181 -8.3077 -8.2497 -8.2475 -7.8758 -7.8590 -7.7925 -7.7898 -7.7771 -7.7726 -3.4883 -3.4883 -0.0915 -0.0812 3.9194 3.9448 4.0757 4.0866 8.2492 8.2603 8.4925 8.5150 16.6458 16.7424 16.7977 16.8202 k = 0.5188-0.2562 0.4082 ( 1524 PWs) bands (ev): -8.3169 -8.3090 -8.2495 -8.2478 -7.8737 -7.8611 -7.7922 -7.7902 -7.7764 -7.7730 -3.4895 -3.4894 -0.0937 -0.0860 3.9597 3.9816 4.0746 4.0854 8.2275 8.2372 8.4315 8.4500 16.7404 16.8321 16.8558 16.8833 k = 0.5125-0.2670 0.4082 ( 1524 PWs) bands (ev): -8.3157 -8.3104 -8.2493 -8.2481 -7.8716 -7.8631 -7.7919 -7.7906 -7.7757 -7.7734 -3.4903 -3.4903 -0.0949 -0.0898 3.9867 4.0023 4.0799 4.0881 8.2069 8.2138 8.3942 8.4069 16.8187 16.8954 16.9017 16.9299 k = 0.5062-0.2778 0.4082 ( 1524 PWs) bands (ev): -8.3144 -8.3117 -8.2490 -8.2484 -7.8694 -7.8652 -7.7916 -7.7910 -7.7750 -7.7739 -3.4908 -3.4908 -0.0951 -0.0926 4.0019 4.0096 4.0881 4.0921 8.1921 8.1955 8.3760 8.3824 16.8757 16.9138 16.9464 16.9580 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -8.3131 -8.3131 -8.2487 -8.2487 -7.8673 -7.8673 -7.7913 -7.7913 -7.7744 -7.7744 -3.4910 -3.4910 -0.0944 -0.0944 4.0088 4.0088 4.0929 4.0929 8.1877 8.1877 8.3726 8.3726 16.9078 16.9078 16.9646 16.9646 Writing output data file GaAs.save init_run : 2.05s CPU 13.31s WALL ( 1 calls) electrons : 87.67s CPU 90.88s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.20s CPU 1.35s WALL ( 1 calls) Called by electrons: c_bands : 87.58s CPU 90.65s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.81s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.46s WALL ( 1 calls) newd : 0.26s CPU 0.45s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.14s WALL ( 372 calls) cegterg : 77.88s CPU 78.45s WALL ( 385 calls) Called by sum_band: Called by *egterg: h_psi : 39.42s CPU 42.21s WALL ( 5975 calls) s_psi : 2.30s CPU 2.82s WALL ( 5975 calls) g_psi : 0.05s CPU 0.13s WALL ( 5218 calls) cdiaghg : 25.14s CPU 24.79s WALL ( 5590 calls) cegterg:over : 7.69s CPU 6.20s WALL ( 5218 calls) cegterg:upda : 0.28s CPU 0.98s WALL ( 5218 calls) cegterg:last : 0.35s CPU 0.84s WALL ( 1407 calls) Called by h_psi: h_psi:vloc : 33.61s CPU 36.24s WALL ( 5975 calls) h_psi:vnl : 5.80s CPU 5.89s WALL ( 5975 calls) add_vuspsi : 0.70s CPU 1.92s WALL ( 5975 calls) General routines calbec : 5.08s CPU 3.86s WALL ( 5975 calls) fft : 0.18s CPU 1.21s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 32.15s CPU 34.41s WALL ( 435660 calls) interpolate : 0.03s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 0.47s WALL ( 744 calls) Parallel routines fft_scatter : 26.02s CPU 27.91s WALL ( 435683 calls) PWSCF : 1m51.20s CPU 2m48.56s WALL This run was terminated on: 11:34:17 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=