Program PWSCF v.5.1.1 starts on 27Jul2015 at 14:25:37 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./HgS.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 55 23 6 4317 1133 176 Max 56 24 7 4328 1172 191 Sum 1777 745 211 138309 36771 5855 bravais-lattice index = 14 lattice parameter (alat) = 7.8613 a.u. unit-cell volume = 964.8553 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.861260 celldm(2)= 1.000000 celldm(3)= 2.293269 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 2.293269 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.436059 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Hg 12.00 200.59000 Hg( 1.00) 6 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7644231 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7644231 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7644231 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7644231 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -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 D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' 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 3C2' -3C2' 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 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 -E -1 -2C3 -3 -4 Cartesian axes number of k points= 302 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0033113 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0033113 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0033113 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0033113 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0033113 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0033113 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0033113 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0033113 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0033113 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0033113 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033113 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0033113 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0033113 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0033113 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0033113 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0033113 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0033113 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0033113 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0033113 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0033113 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0033113 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033113 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0033113 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0033113 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0033113 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0033113 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0033113 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0033113 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0033113 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0033113 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0033113 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0033113 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033113 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0033113 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0033113 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0033113 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0033113 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0033113 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0033113 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0033113 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0033113 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0033113 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0033113 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0033113 k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0033113 k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0033113 k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0033113 k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0033113 k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0033113 k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0033113 k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0033113 k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0033113 k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0033113 k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0033113 k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0033113 k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033113 k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0033113 k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0033113 k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0033113 k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0033113 k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0033113 k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0033113 k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0033113 k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0033113 k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0033113 k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0033113 k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0033113 k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0033113 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0033113 k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0033113 k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0033113 k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0033113 k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0033113 k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0033113 k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0033113 k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0033113 k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0033113 k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0033113 k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0033113 k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0033113 k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0033113 k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0033113 k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0033113 k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0033113 k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033113 k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0033113 k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0033113 k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0033113 k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0033113 k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0033113 k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0033113 k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0033113 k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0033113 k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0033113 k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0033113 k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0033113 k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0033113 k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0033113 k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0033113 k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0033113 k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0033113 k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033113 k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0033113 k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0033113 k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0033113 k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0033113 k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0033113 k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0033113 k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0033113 k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0033113 k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0033113 k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0033113 k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0033113 k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0033113 k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0033113 k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0033113 k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0033113 k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0033113 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 126) = ( 0.0000000 0.0000000 0.0128253), wk = 0.0033113 k( 127) = ( 0.0000000 0.0000000 0.0256505), wk = 0.0033113 k( 128) = ( 0.0000000 0.0000000 0.0384758), wk = 0.0033113 k( 129) = ( 0.0000000 0.0000000 0.0513010), wk = 0.0033113 k( 130) = ( 0.0000000 0.0000000 0.0641263), wk = 0.0033113 k( 131) = ( 0.0000000 0.0000000 0.0769515), wk = 0.0033113 k( 132) = ( 0.0000000 0.0000000 0.0897768), wk = 0.0033113 k( 133) = ( 0.0000000 0.0000000 0.1026020), wk = 0.0033113 k( 134) = ( 0.0000000 0.0000000 0.1154273), wk = 0.0033113 k( 135) = ( 0.0000000 0.0000000 0.1282526), wk = 0.0033113 k( 136) = ( 0.0000000 0.0000000 0.1410778), wk = 0.0033113 k( 137) = ( 0.0000000 0.0000000 0.1539031), wk = 0.0033113 k( 138) = ( 0.0000000 0.0000000 0.1667283), wk = 0.0033113 k( 139) = ( 0.0000000 0.0000000 0.1795536), wk = 0.0033113 k( 140) = ( 0.0000000 0.0000000 0.1923788), wk = 0.0033113 k( 141) = ( 0.0000000 0.0000000 0.2052041), wk = 0.0033113 k( 142) = ( 0.0000000 0.0000000 0.2180294), wk = 0.0033113 k( 143) = ( 0.0000000 0.0000000 0.2180294), wk = 0.0033113 k( 144) = ( 0.0113636 0.0065608 0.2180294), wk = 0.0033113 k( 145) = ( 0.0227273 0.0131216 0.2180294), wk = 0.0033113 k( 146) = ( 0.0340909 0.0196824 0.2180294), wk = 0.0033113 k( 147) = ( 0.0454546 0.0262432 0.2180294), wk = 0.0033113 k( 148) = ( 0.0568182 0.0328040 0.2180294), wk = 0.0033113 k( 149) = ( 0.0681818 0.0393648 0.2180294), wk = 0.0033113 k( 150) = ( 0.0795455 0.0459256 0.2180294), wk = 0.0033113 k( 151) = ( 0.0909091 0.0524864 0.2180294), wk = 0.0033113 k( 152) = ( 0.1022727 0.0590472 0.2180294), wk = 0.0033113 k( 153) = ( 0.1136364 0.0656080 0.2180294), wk = 0.0033113 k( 154) = ( 0.1250000 0.0721688 0.2180294), wk = 0.0033113 k( 155) = ( 0.1363636 0.0787296 0.2180294), wk = 0.0033113 k( 156) = ( 0.1477273 0.0852904 0.2180294), wk = 0.0033113 k( 157) = ( 0.1590909 0.0918512 0.2180294), wk = 0.0033113 k( 158) = ( 0.1704546 0.0984120 0.2180294), wk = 0.0033113 k( 159) = ( 0.1818182 0.1049728 0.2180294), wk = 0.0033113 k( 160) = ( 0.1931818 0.1115336 0.2180294), wk = 0.0033113 k( 161) = ( 0.2045454 0.1180944 0.2180294), wk = 0.0033113 k( 162) = ( 0.2159091 0.1246552 0.2180294), wk = 0.0033113 k( 163) = ( 0.2272727 0.1312160 0.2180294), wk = 0.0033113 k( 164) = ( 0.2386364 0.1377768 0.2180294), wk = 0.0033113 k( 165) = ( 0.2500000 0.1443376 0.2180294), wk = 0.0033113 k( 166) = ( 0.2613636 0.1508984 0.2180294), wk = 0.0033113 k( 167) = ( 0.2727273 0.1574592 0.2180294), wk = 0.0033113 k( 168) = ( 0.2840909 0.1640200 0.2180294), wk = 0.0033113 k( 169) = ( 0.2954545 0.1705808 0.2180294), wk = 0.0033113 k( 170) = ( 0.3068182 0.1771416 0.2180294), wk = 0.0033113 k( 171) = ( 0.3181818 0.1837024 0.2180294), wk = 0.0033113 k( 172) = ( 0.3295455 0.1902632 0.2180294), wk = 0.0033113 k( 173) = ( 0.3409091 0.1968240 0.2180294), wk = 0.0033113 k( 174) = ( 0.3522727 0.2033848 0.2180294), wk = 0.0033113 k( 175) = ( 0.3636364 0.2099456 0.2180294), wk = 0.0033113 k( 176) = ( 0.3750000 0.2165064 0.2180294), wk = 0.0033113 k( 177) = ( 0.3863636 0.2230672 0.2180294), wk = 0.0033113 k( 178) = ( 0.3977273 0.2296279 0.2180294), wk = 0.0033113 k( 179) = ( 0.4090909 0.2361887 0.2180294), wk = 0.0033113 k( 180) = ( 0.4204545 0.2427495 0.2180294), wk = 0.0033113 k( 181) = ( 0.4318182 0.2493103 0.2180294), wk = 0.0033113 k( 182) = ( 0.4431818 0.2558711 0.2180294), wk = 0.0033113 k( 183) = ( 0.4545455 0.2624319 0.2180294), wk = 0.0033113 k( 184) = ( 0.4659091 0.2689927 0.2180294), wk = 0.0033113 k( 185) = ( 0.4772727 0.2755535 0.2180294), wk = 0.0033113 k( 186) = ( 0.4886364 0.2821143 0.2180294), wk = 0.0033113 k( 187) = ( 0.5000000 0.2886751 0.2180294), wk = 0.0033113 k( 188) = ( 0.5000000 0.2886751 0.2180294), wk = 0.0033113 k( 189) = ( 0.4935897 0.2997780 0.2180294), wk = 0.0033113 k( 190) = ( 0.4871795 0.3108809 0.2180294), wk = 0.0033113 k( 191) = ( 0.4807692 0.3219838 0.2180294), wk = 0.0033113 k( 192) = ( 0.4743590 0.3330867 0.2180294), wk = 0.0033113 k( 193) = ( 0.4679487 0.3441896 0.2180294), wk = 0.0033113 k( 194) = ( 0.4615385 0.3552925 0.2180294), wk = 0.0033113 k( 195) = ( 0.4551282 0.3663954 0.2180294), wk = 0.0033113 k( 196) = ( 0.4487179 0.3774983 0.2180294), wk = 0.0033113 k( 197) = ( 0.4423077 0.3886011 0.2180294), wk = 0.0033113 k( 198) = ( 0.4358974 0.3997040 0.2180294), wk = 0.0033113 k( 199) = ( 0.4294872 0.4108069 0.2180294), wk = 0.0033113 k( 200) = ( 0.4230769 0.4219098 0.2180294), wk = 0.0033113 k( 201) = ( 0.4166667 0.4330127 0.2180294), wk = 0.0033113 k( 202) = ( 0.4102564 0.4441156 0.2180294), wk = 0.0033113 k( 203) = ( 0.4038462 0.4552185 0.2180294), wk = 0.0033113 k( 204) = ( 0.3974359 0.4663214 0.2180294), wk = 0.0033113 k( 205) = ( 0.3910256 0.4774243 0.2180294), wk = 0.0033113 k( 206) = ( 0.3846154 0.4885271 0.2180294), wk = 0.0033113 k( 207) = ( 0.3782051 0.4996300 0.2180294), wk = 0.0033113 k( 208) = ( 0.3717949 0.5107329 0.2180294), wk = 0.0033113 k( 209) = ( 0.3653846 0.5218358 0.2180294), wk = 0.0033113 k( 210) = ( 0.3589744 0.5329387 0.2180294), wk = 0.0033113 k( 211) = ( 0.3525641 0.5440416 0.2180294), wk = 0.0033113 k( 212) = ( 0.3461538 0.5551445 0.2180294), wk = 0.0033113 k( 213) = ( 0.3397436 0.5662474 0.2180294), wk = 0.0033113 k( 214) = ( 0.3333333 0.5773503 0.2180294), wk = 0.0033113 k( 215) = ( 0.3333333 0.5773503 0.2180294), wk = 0.0033113 k( 216) = ( 0.3267974 0.5660297 0.2180294), wk = 0.0033113 k( 217) = ( 0.3202614 0.5547091 0.2180294), wk = 0.0033113 k( 218) = ( 0.3137255 0.5433885 0.2180294), wk = 0.0033113 k( 219) = ( 0.3071895 0.5320679 0.2180294), wk = 0.0033113 k( 220) = ( 0.3006536 0.5207473 0.2180294), wk = 0.0033113 k( 221) = ( 0.2941177 0.5094267 0.2180294), wk = 0.0033113 k( 222) = ( 0.2875817 0.4981061 0.2180294), wk = 0.0033113 k( 223) = ( 0.2810457 0.4867855 0.2180294), wk = 0.0033113 k( 224) = ( 0.2745098 0.4754649 0.2180294), wk = 0.0033113 k( 225) = ( 0.2679739 0.4641443 0.2180294), wk = 0.0033113 k( 226) = ( 0.2614379 0.4528237 0.2180294), wk = 0.0033113 k( 227) = ( 0.2549020 0.4415031 0.2180294), wk = 0.0033113 k( 228) = ( 0.2483660 0.4301825 0.2180294), wk = 0.0033113 k( 229) = ( 0.2418301 0.4188620 0.2180294), wk = 0.0033113 k( 230) = ( 0.2352941 0.4075414 0.2180294), wk = 0.0033113 k( 231) = ( 0.2287582 0.3962208 0.2180294), wk = 0.0033113 k( 232) = ( 0.2222222 0.3849002 0.2180294), wk = 0.0033113 k( 233) = ( 0.2156863 0.3735796 0.2180294), wk = 0.0033113 k( 234) = ( 0.2091503 0.3622590 0.2180294), wk = 0.0033113 k( 235) = ( 0.2026144 0.3509384 0.2180294), wk = 0.0033113 k( 236) = ( 0.1960784 0.3396178 0.2180294), wk = 0.0033113 k( 237) = ( 0.1895425 0.3282972 0.2180294), wk = 0.0033113 k( 238) = ( 0.1830065 0.3169766 0.2180294), wk = 0.0033113 k( 239) = ( 0.1764706 0.3056560 0.2180294), wk = 0.0033113 k( 240) = ( 0.1699346 0.2943354 0.2180294), wk = 0.0033113 k( 241) = ( 0.1633987 0.2830148 0.2180294), wk = 0.0033113 k( 242) = ( 0.1568627 0.2716943 0.2180294), wk = 0.0033113 k( 243) = ( 0.1503268 0.2603737 0.2180294), wk = 0.0033113 k( 244) = ( 0.1437908 0.2490531 0.2180294), wk = 0.0033113 k( 245) = ( 0.1372549 0.2377325 0.2180294), wk = 0.0033113 k( 246) = ( 0.1307190 0.2264119 0.2180294), wk = 0.0033113 k( 247) = ( 0.1241830 0.2150913 0.2180294), wk = 0.0033113 k( 248) = ( 0.1176471 0.2037707 0.2180294), wk = 0.0033113 k( 249) = ( 0.1111111 0.1924501 0.2180294), wk = 0.0033113 k( 250) = ( 0.1045752 0.1811295 0.2180294), wk = 0.0033113 k( 251) = ( 0.0980392 0.1698089 0.2180294), wk = 0.0033113 k( 252) = ( 0.0915033 0.1584883 0.2180294), wk = 0.0033113 k( 253) = ( 0.0849673 0.1471677 0.2180294), wk = 0.0033113 k( 254) = ( 0.0784314 0.1358471 0.2180294), wk = 0.0033113 k( 255) = ( 0.0718954 0.1245265 0.2180294), wk = 0.0033113 k( 256) = ( 0.0653595 0.1132059 0.2180294), wk = 0.0033113 k( 257) = ( 0.0588235 0.1018853 0.2180294), wk = 0.0033113 k( 258) = ( 0.0522876 0.0905647 0.2180294), wk = 0.0033113 k( 259) = ( 0.0457516 0.0792441 0.2180294), wk = 0.0033113 k( 260) = ( 0.0392157 0.0679236 0.2180294), wk = 0.0033113 k( 261) = ( 0.0326797 0.0566030 0.2180294), wk = 0.0033113 k( 262) = ( 0.0261438 0.0452824 0.2180294), wk = 0.0033113 k( 263) = ( 0.0196078 0.0339618 0.2180294), wk = 0.0033113 k( 264) = ( 0.0130719 0.0226412 0.2180294), wk = 0.0033113 k( 265) = ( 0.0065359 0.0113206 0.2180294), wk = 0.0033113 k( 266) = ( 0.0000000 0.0000000 0.2180294), wk = 0.0033113 k( 267) = ( 0.5000000 0.2886751 0.2180294), wk = 0.0033113 k( 268) = ( 0.5000000 0.2886751 0.2052041), wk = 0.0033113 k( 269) = ( 0.5000000 0.2886751 0.1923788), wk = 0.0033113 k( 270) = ( 0.5000000 0.2886751 0.1795536), wk = 0.0033113 k( 271) = ( 0.5000000 0.2886751 0.1667283), wk = 0.0033113 k( 272) = ( 0.5000000 0.2886751 0.1539031), wk = 0.0033113 k( 273) = ( 0.5000000 0.2886751 0.1410778), wk = 0.0033113 k( 274) = ( 0.5000000 0.2886751 0.1282526), wk = 0.0033113 k( 275) = ( 0.5000000 0.2886751 0.1154273), wk = 0.0033113 k( 276) = ( 0.5000000 0.2886751 0.1026020), wk = 0.0033113 k( 277) = ( 0.5000000 0.2886751 0.0897768), wk = 0.0033113 k( 278) = ( 0.5000000 0.2886751 0.0769515), wk = 0.0033113 k( 279) = ( 0.5000000 0.2886751 0.0641263), wk = 0.0033113 k( 280) = ( 0.5000000 0.2886751 0.0513010), wk = 0.0033113 k( 281) = ( 0.5000000 0.2886751 0.0384758), wk = 0.0033113 k( 282) = ( 0.5000000 0.2886751 0.0256505), wk = 0.0033113 k( 283) = ( 0.5000000 0.2886751 0.0128253), wk = 0.0033113 k( 284) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 285) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 286) = ( 0.3333333 0.5773503 0.0128253), wk = 0.0033113 k( 287) = ( 0.3333333 0.5773503 0.0256505), wk = 0.0033113 k( 288) = ( 0.3333333 0.5773503 0.0384758), wk = 0.0033113 k( 289) = ( 0.3333333 0.5773503 0.0513010), wk = 0.0033113 k( 290) = ( 0.3333333 0.5773503 0.0641263), wk = 0.0033113 k( 291) = ( 0.3333333 0.5773503 0.0769515), wk = 0.0033113 k( 292) = ( 0.3333333 0.5773503 0.0897768), wk = 0.0033113 k( 293) = ( 0.3333333 0.5773503 0.1026020), wk = 0.0033113 k( 294) = ( 0.3333333 0.5773503 0.1154273), wk = 0.0033113 k( 295) = ( 0.3333333 0.5773503 0.1282526), wk = 0.0033113 k( 296) = ( 0.3333333 0.5773503 0.1410778), wk = 0.0033113 k( 297) = ( 0.3333333 0.5773503 0.1539031), wk = 0.0033113 k( 298) = ( 0.3333333 0.5773503 0.1667283), wk = 0.0033113 k( 299) = ( 0.3333333 0.5773503 0.1795536), wk = 0.0033113 k( 300) = ( 0.3333333 0.5773503 0.1923788), wk = 0.0033113 k( 301) = ( 0.3333333 0.5773503 0.2052041), wk = 0.0033113 k( 302) = ( 0.3333333 0.5773503 0.2180294), wk = 0.0033113 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0113636 0.0000000 -0.0000000), wk = 0.0033113 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0033113 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0033113 k( 5) = ( 0.0454546 0.0000000 -0.0000000), wk = 0.0033113 k( 6) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0033113 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0033113 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0033113 k( 9) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0033113 k( 10) = ( 0.1022727 0.0000000 -0.0000000), wk = 0.0033113 k( 11) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0033113 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0033113 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0033113 k( 14) = ( 0.1477273 0.0000000 -0.0000000), wk = 0.0033113 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0033113 k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0033113 k( 17) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0033113 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0033113 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0033113 k( 20) = ( 0.2159091 0.0000000 -0.0000000), wk = 0.0033113 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0033113 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0033113 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033113 k( 24) = ( 0.2613636 0.0000000 -0.0000000), wk = 0.0033113 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0033113 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0033113 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0033113 k( 28) = ( 0.3068182 0.0000000 -0.0000000), wk = 0.0033113 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0033113 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0033113 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0033113 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0033113 k( 33) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0033113 k( 34) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0033113 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0033113 k( 36) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0033113 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0033113 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0033113 k( 39) = ( 0.4318182 0.0000000 -0.0000000), wk = 0.0033113 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0033113 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0033113 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0033113 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0033113 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0033113 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 47) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0033113 k( 48) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0033113 k( 49) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0033113 k( 50) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0033113 k( 51) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0033113 k( 52) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0033113 k( 53) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0033113 k( 54) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0033113 k( 55) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0033113 k( 56) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0033113 k( 57) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0033113 k( 58) = ( 0.4230769 0.1538462 0.0000000), wk = 0.0033113 k( 59) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033113 k( 60) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0033113 k( 61) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0033113 k( 62) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0033113 k( 63) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0033113 k( 64) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0033113 k( 65) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0033113 k( 66) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0033113 k( 67) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0033113 k( 68) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0033113 k( 69) = ( 0.3525641 0.2948718 -0.0000000), wk = 0.0033113 k( 70) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0033113 k( 71) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0033113 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033113 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033113 k( 74) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0033113 k( 75) = ( 0.3202614 0.3202614 0.0000000), wk = 0.0033113 k( 76) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0033113 k( 77) = ( 0.3071895 0.3071895 0.0000000), wk = 0.0033113 k( 78) = ( 0.3006536 0.3006536 0.0000000), wk = 0.0033113 k( 79) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0033113 k( 80) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0033113 k( 81) = ( 0.2810457 0.2810457 0.0000000), wk = 0.0033113 k( 82) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0033113 k( 83) = ( 0.2679739 0.2679739 0.0000000), wk = 0.0033113 k( 84) = ( 0.2614379 0.2614379 0.0000000), wk = 0.0033113 k( 85) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0033113 k( 86) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0033113 k( 87) = ( 0.2418301 0.2418301 0.0000000), wk = 0.0033113 k( 88) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0033113 k( 89) = ( 0.2287582 0.2287582 0.0000000), wk = 0.0033113 k( 90) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0033113 k( 91) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0033113 k( 92) = ( 0.2091503 0.2091503 0.0000000), wk = 0.0033113 k( 93) = ( 0.2026144 0.2026144 0.0000000), wk = 0.0033113 k( 94) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0033113 k( 95) = ( 0.1895425 0.1895425 0.0000000), wk = 0.0033113 k( 96) = ( 0.1830065 0.1830065 0.0000000), wk = 0.0033113 k( 97) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0033113 k( 98) = ( 0.1699346 0.1699346 -0.0000000), wk = 0.0033113 k( 99) = ( 0.1633987 0.1633987 -0.0000000), wk = 0.0033113 k( 100) = ( 0.1568627 0.1568628 0.0000000), wk = 0.0033113 k( 101) = ( 0.1503268 0.1503268 0.0000000), wk = 0.0033113 k( 102) = ( 0.1437908 0.1437909 0.0000000), wk = 0.0033113 k( 103) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0033113 k( 104) = ( 0.1307190 0.1307190 0.0000000), wk = 0.0033113 k( 105) = ( 0.1241830 0.1241830 0.0000000), wk = 0.0033113 k( 106) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0033113 k( 107) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0033113 k( 108) = ( 0.1045752 0.1045752 0.0000000), wk = 0.0033113 k( 109) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0033113 k( 110) = ( 0.0915033 0.0915033 0.0000000), wk = 0.0033113 k( 111) = ( 0.0849673 0.0849673 -0.0000000), wk = 0.0033113 k( 112) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0033113 k( 113) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0033113 k( 114) = ( 0.0653595 0.0653595 0.0000000), wk = 0.0033113 k( 115) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0033113 k( 116) = ( 0.0522876 0.0522876 0.0000000), wk = 0.0033113 k( 117) = ( 0.0457516 0.0457516 0.0000000), wk = 0.0033113 k( 118) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0033113 k( 119) = ( 0.0326797 0.0326797 0.0000000), wk = 0.0033113 k( 120) = ( 0.0261438 0.0261438 0.0000000), wk = 0.0033113 k( 121) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0033113 k( 122) = ( 0.0130719 0.0130719 0.0000000), wk = 0.0033113 k( 123) = ( 0.0065359 0.0065360 0.0000000), wk = 0.0033113 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 126) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0033113 k( 127) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0033113 k( 128) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0033113 k( 129) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0033113 k( 130) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0033113 k( 131) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0033113 k( 132) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0033113 k( 133) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0033113 k( 134) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0033113 k( 135) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0033113 k( 136) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0033113 k( 137) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0033113 k( 138) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0033113 k( 139) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0033113 k( 140) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0033113 k( 141) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0033113 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 144) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0033113 k( 145) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0033113 k( 146) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0033113 k( 147) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0033113 k( 148) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0033113 k( 149) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0033113 k( 150) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0033113 k( 151) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0033113 k( 152) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0033113 k( 153) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0033113 k( 154) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0033113 k( 155) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0033113 k( 156) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0033113 k( 157) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0033113 k( 158) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0033113 k( 159) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0033113 k( 160) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0033113 k( 161) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0033113 k( 162) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0033113 k( 163) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0033113 k( 164) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0033113 k( 165) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033113 k( 166) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0033113 k( 167) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0033113 k( 168) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0033113 k( 169) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0033113 k( 170) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0033113 k( 171) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0033113 k( 172) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0033113 k( 173) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0033113 k( 174) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0033113 k( 175) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0033113 k( 176) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0033113 k( 177) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0033113 k( 178) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0033113 k( 179) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0033113 k( 180) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0033113 k( 181) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0033113 k( 182) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0033113 k( 183) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0033113 k( 184) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0033113 k( 185) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0033113 k( 186) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0033113 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 189) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0033113 k( 190) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0033113 k( 191) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0033113 k( 192) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0033113 k( 193) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0033113 k( 194) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0033113 k( 195) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0033113 k( 196) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0033113 k( 197) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0033113 k( 198) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0033113 k( 199) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0033113 k( 200) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0033113 k( 201) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033113 k( 202) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0033113 k( 203) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0033113 k( 204) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0033113 k( 205) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0033113 k( 206) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0033113 k( 207) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0033113 k( 208) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0033113 k( 209) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0033113 k( 210) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0033113 k( 211) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0033113 k( 212) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0033113 k( 213) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0033113 k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 k( 216) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0033113 k( 217) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0033113 k( 218) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0033113 k( 219) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0033113 k( 220) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0033113 k( 221) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0033113 k( 222) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0033113 k( 223) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0033113 k( 224) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0033113 k( 225) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0033113 k( 226) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0033113 k( 227) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0033113 k( 228) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0033113 k( 229) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0033113 k( 230) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0033113 k( 231) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0033113 k( 232) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033113 k( 233) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0033113 k( 234) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0033113 k( 235) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0033113 k( 236) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0033113 k( 237) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0033113 k( 238) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0033113 k( 239) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0033113 k( 240) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0033113 k( 241) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0033113 k( 242) = ( 0.1568627 0.1568628 0.5000000), wk = 0.0033113 k( 243) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0033113 k( 244) = ( 0.1437908 0.1437909 0.5000000), wk = 0.0033113 k( 245) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0033113 k( 246) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0033113 k( 247) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0033113 k( 248) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0033113 k( 249) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033113 k( 250) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0033113 k( 251) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0033113 k( 252) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0033113 k( 253) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0033113 k( 254) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0033113 k( 255) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0033113 k( 256) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0033113 k( 257) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0033113 k( 258) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0033113 k( 259) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0033113 k( 260) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0033113 k( 261) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0033113 k( 262) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0033113 k( 263) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0033113 k( 264) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0033113 k( 265) = ( 0.0065359 0.0065360 0.5000000), wk = 0.0033113 k( 266) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 268) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0033113 k( 269) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0033113 k( 270) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0033113 k( 271) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0033113 k( 272) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0033113 k( 273) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0033113 k( 274) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0033113 k( 275) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0033113 k( 276) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0033113 k( 277) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0033113 k( 278) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0033113 k( 279) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0033113 k( 280) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0033113 k( 281) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0033113 k( 282) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0033113 k( 283) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0033113 k( 284) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 285) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033113 k( 286) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0033113 k( 287) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0033113 k( 288) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0033113 k( 289) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0033113 k( 290) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0033113 k( 291) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0033113 k( 292) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0033113 k( 293) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0033113 k( 294) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0033113 k( 295) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0033113 k( 296) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0033113 k( 297) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0033113 k( 298) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0033113 k( 299) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0033113 k( 300) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0033113 k( 301) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0033113 k( 302) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 Dense grid: 138309 G-vectors FFT dimensions: ( 54, 54, 120) Smooth grid: 36771 G-vectors FFT dimensions: ( 36, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 304, 64) NL pseudopotentials 0.47 Mb ( 152, 204) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.03 Mb ( 4319) G-vector shells 0.01 Mb ( 1873) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.19 Mb ( 304, 256) Each subspace H/S matrix 1.00 Mb ( 256, 256) Each matrix 0.40 Mb ( 204, 2, 64) The potential is recalculated from file : ./HgS.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 7.2 secs Computing kpt #: 3 total cpu time spent up to now is 9.3 secs Computing kpt #: 4 total cpu time spent up to now is 11.3 secs Computing kpt #: 5 total cpu time spent up to now is 13.4 secs Computing kpt #: 6 total cpu time spent up to now is 15.5 secs Computing kpt #: 7 total cpu time spent up to now is 17.6 secs Computing kpt #: 8 total cpu time spent up to now is 19.6 secs Computing kpt #: 9 total cpu time spent up to now is 21.7 secs Computing kpt #: 10 total cpu time spent up to now is 23.7 secs Computing kpt #: 11 total cpu time spent up to now is 25.7 secs Computing kpt #: 12 total cpu time spent up to now is 27.8 secs Computing kpt #: 13 total cpu time spent up to now is 29.9 secs Computing kpt #: 14 total cpu time spent up to now is 32.0 secs Computing kpt #: 15 total cpu time spent up to now is 34.1 secs Computing kpt #: 16 total cpu time spent up to now is 36.1 secs Computing kpt #: 17 total cpu time spent up to now is 38.3 secs Computing kpt #: 18 total cpu time spent up to now is 40.4 secs Computing kpt #: 19 total cpu time spent up to now is 42.5 secs Computing kpt #: 20 total cpu time spent up to now is 44.8 secs Computing kpt #: 21 total cpu time spent up to now is 47.0 secs Computing kpt #: 22 total cpu time spent up to now is 49.2 secs Computing kpt #: 23 total cpu time spent up to now is 51.5 secs Computing kpt #: 24 total cpu time spent up to now is 53.8 secs Computing kpt #: 25 total cpu time spent up to now is 56.0 secs Computing kpt #: 26 total cpu time spent up to now is 58.2 secs Computing kpt #: 27 total cpu time spent up to now is 60.5 secs Computing kpt #: 28 total cpu time spent up to now is 62.6 secs Computing kpt #: 29 total cpu time spent up to now is 64.9 secs Computing kpt #: 30 total cpu time spent up to now is 67.1 secs Computing kpt #: 31 total cpu time spent up to now is 69.3 secs Computing kpt #: 32 total cpu time spent up to now is 71.5 secs Computing kpt #: 33 total cpu time spent up to now is 73.6 secs Computing kpt #: 34 total cpu time spent up to now is 75.8 secs Computing kpt #: 35 total cpu time spent up to now is 78.0 secs Computing kpt #: 36 total cpu time spent up to now is 80.1 secs Computing kpt #: 37 total cpu time spent up to now is 82.3 secs Computing kpt #: 38 total cpu time spent up to now is 84.5 secs Computing kpt #: 39 total cpu time spent up to now is 86.6 secs Computing kpt #: 40 total cpu time spent up to now is 88.7 secs Computing kpt #: 41 total cpu time spent up to now is 90.8 secs Computing kpt #: 42 total cpu time spent up to now is 92.9 secs Computing kpt #: 43 total cpu time spent up to now is 95.0 secs Computing kpt #: 44 total cpu time spent up to now is 97.1 secs Computing kpt #: 45 total cpu time spent up to now is 99.1 secs Computing kpt #: 46 total cpu time spent up to now is 101.2 secs Computing kpt #: 47 total cpu time spent up to now is 103.3 secs Computing kpt #: 48 total cpu time spent up to now is 105.3 secs Computing kpt #: 49 total cpu time spent up to now is 107.4 secs Computing kpt #: 50 total cpu time spent up to now is 109.5 secs Computing kpt #: 51 total cpu time spent up to now is 111.7 secs Computing kpt #: 52 total cpu time spent up to now is 113.7 secs Computing kpt #: 53 total cpu time spent up to now is 115.8 secs Computing kpt #: 54 total cpu time spent up to now is 118.0 secs Computing kpt #: 55 total cpu time spent up to now is 120.0 secs Computing kpt #: 56 total cpu time spent up to now is 122.1 secs Computing kpt #: 57 total cpu time spent up to now is 124.3 secs Computing kpt #: 58 total cpu time spent up to now is 126.4 secs Computing kpt #: 59 total cpu time spent up to now is 128.6 secs Computing kpt #: 60 total cpu time spent up to now is 130.7 secs Computing kpt #: 61 total cpu time spent up to now is 132.9 secs Computing kpt #: 62 total cpu time spent up to now is 135.1 secs Computing kpt #: 63 total cpu time spent up to now is 137.3 secs Computing kpt #: 64 total cpu time spent up to now is 139.5 secs Computing kpt #: 65 total cpu time spent up to now is 141.7 secs Computing kpt #: 66 total cpu time spent up to now is 143.9 secs Computing kpt #: 67 total cpu time spent up to now is 146.1 secs Computing kpt #: 68 total cpu time spent up to now is 148.3 secs Computing kpt #: 69 total cpu time spent up to now is 150.5 secs Computing kpt #: 70 total cpu time spent up to now is 152.7 secs Computing kpt #: 71 total cpu time spent up to now is 154.9 secs Computing kpt #: 72 total cpu time spent up to now is 157.1 secs Computing kpt #: 73 total cpu time spent up to now is 159.2 secs Computing kpt #: 74 total cpu time spent up to now is 161.5 secs Computing kpt #: 75 total cpu time spent up to now is 163.7 secs Computing kpt #: 76 total cpu time spent up to now is 165.8 secs Computing kpt #: 77 total cpu time spent up to now is 168.0 secs Computing kpt #: 78 total cpu time spent up to now is 170.2 secs Computing kpt #: 79 total cpu time spent up to now is 172.4 secs Computing kpt #: 80 total cpu time spent up to now is 174.6 secs Computing kpt #: 81 total cpu time spent up to now is 177.6 secs Computing kpt #: 82 total cpu time spent up to now is 181.7 secs Computing kpt #: 83 total cpu time spent up to now is 183.8 secs Computing kpt #: 84 total cpu time spent up to now is 185.9 secs Computing kpt #: 85 total cpu time spent up to now is 188.1 secs Computing kpt #: 86 total cpu time spent up to now is 190.2 secs Computing kpt #: 87 total cpu time spent up to now is 192.3 secs Computing kpt #: 88 total cpu time spent up to now is 194.5 secs Computing kpt #: 89 total cpu time spent up to now is 196.6 secs Computing kpt #: 90 total cpu time spent up to now is 198.7 secs Computing kpt #: 91 total cpu time spent up to now is 200.9 secs Computing kpt #: 92 total cpu time spent up to now is 203.0 secs Computing kpt #: 93 total cpu time spent up to now is 205.1 secs Computing kpt #: 94 total cpu time spent up to now is 207.3 secs Computing kpt #: 95 total cpu time spent up to now is 209.4 secs Computing kpt #: 96 total cpu time spent up to now is 211.6 secs Computing kpt #: 97 total cpu time spent up to now is 213.7 secs Computing kpt #: 98 total cpu time spent up to now is 215.9 secs Computing kpt #: 99 total cpu time spent up to now is 218.1 secs Computing kpt #: 100 total cpu time spent up to now is 220.2 secs Computing kpt #: 101 total cpu time spent up to now is 222.4 secs Computing kpt #: 102 total cpu time spent up to now is 224.6 secs Computing kpt #: 103 total cpu time spent up to now is 226.8 secs Computing kpt #: 104 total cpu time spent up to now is 228.9 secs Computing kpt #: 105 total cpu time spent up to now is 231.0 secs Computing kpt #: 106 total cpu time spent up to now is 233.1 secs Computing kpt #: 107 total cpu time spent up to now is 235.3 secs Computing kpt #: 108 total cpu time spent up to now is 237.4 secs Computing kpt #: 109 total cpu time spent up to now is 239.5 secs Computing kpt #: 110 total cpu time spent up to now is 241.5 secs Computing kpt #: 111 total cpu time spent up to now is 243.6 secs Computing kpt #: 112 total cpu time spent up to now is 245.7 secs Computing kpt #: 113 total cpu time spent up to now is 247.8 secs Computing kpt #: 114 total cpu time spent up to now is 249.8 secs Computing kpt #: 115 total cpu time spent up to now is 251.9 secs Computing kpt #: 116 total cpu time spent up to now is 253.9 secs Computing kpt #: 117 total cpu time spent up to now is 255.9 secs Computing kpt #: 118 total cpu time spent up to now is 258.0 secs Computing kpt #: 119 total cpu time spent up to now is 260.1 secs Computing kpt #: 120 total cpu time spent up to now is 262.1 secs Computing kpt #: 121 total cpu time spent up to now is 264.2 secs Computing kpt #: 122 total cpu time spent up to now is 266.2 secs Computing kpt #: 123 total cpu time spent up to now is 268.3 secs Computing kpt #: 124 total cpu time spent up to now is 270.3 secs Computing kpt #: 125 total cpu time spent up to now is 272.3 secs Computing kpt #: 126 total cpu time spent up to now is 274.3 secs Computing kpt #: 127 total cpu time spent up to now is 276.3 secs Computing kpt #: 128 total cpu time spent up to now is 278.4 secs Computing kpt #: 129 total cpu time spent up to now is 280.5 secs Computing kpt #: 130 total cpu time spent up to now is 283.1 secs Computing kpt #: 131 total cpu time spent up to now is 285.3 secs Computing kpt #: 132 total cpu time spent up to now is 287.5 secs Computing kpt #: 133 total cpu time spent up to now is 289.8 secs Computing kpt #: 134 total cpu time spent up to now is 292.3 secs Computing kpt #: 135 total cpu time spent up to now is 294.9 secs Computing kpt #: 136 total cpu time spent up to now is 297.4 secs Computing kpt #: 137 total cpu time spent up to now is 300.0 secs Computing kpt #: 138 total cpu time spent up to now is 302.5 secs Computing kpt #: 139 total cpu time spent up to now is 305.1 secs Computing kpt #: 140 total cpu time spent up to now is 307.5 secs Computing kpt #: 141 total cpu time spent up to now is 309.8 secs Computing kpt #: 142 total cpu time spent up to now is 312.0 secs Computing kpt #: 143 total cpu time spent up to now is 314.2 secs Computing kpt #: 144 total cpu time spent up to now is 316.5 secs Computing kpt #: 145 total cpu time spent up to now is 318.8 secs Computing kpt #: 146 total cpu time spent up to now is 321.1 secs Computing kpt #: 147 total cpu time spent up to now is 323.5 secs Computing kpt #: 148 total cpu time spent up to now is 326.0 secs Computing kpt #: 149 total cpu time spent up to now is 328.5 secs Computing kpt #: 150 total cpu time spent up to now is 331.0 secs Computing kpt #: 151 total cpu time spent up to now is 333.5 secs Computing kpt #: 152 total cpu time spent up to now is 336.0 secs Computing kpt #: 153 total cpu time spent up to now is 338.5 secs Computing kpt #: 154 total cpu time spent up to now is 341.0 secs Computing kpt #: 155 total cpu time spent up to now is 343.5 secs Computing kpt #: 156 total cpu time spent up to now is 345.8 secs Computing kpt #: 157 total cpu time spent up to now is 348.3 secs Computing kpt #: 158 total cpu time spent up to now is 350.7 secs Computing kpt #: 159 total cpu time spent up to now is 353.1 secs Computing kpt #: 160 total cpu time spent up to now is 355.5 secs Computing kpt #: 161 total cpu time spent up to now is 357.8 secs Computing kpt #: 162 total cpu time spent up to now is 360.1 secs Computing kpt #: 163 total cpu time spent up to now is 362.3 secs Computing kpt #: 164 total cpu time spent up to now is 364.6 secs Computing kpt #: 165 total cpu time spent up to now is 366.9 secs Computing kpt #: 166 total cpu time spent up to now is 369.2 secs Computing kpt #: 167 total cpu time spent up to now is 371.6 secs Computing kpt #: 168 total cpu time spent up to now is 374.0 secs Computing kpt #: 169 total cpu time spent up to now is 376.3 secs Computing kpt #: 170 total cpu time spent up to now is 378.6 secs Computing kpt #: 171 total cpu time spent up to now is 381.1 secs Computing kpt #: 172 total cpu time spent up to now is 383.5 secs Computing kpt #: 173 total cpu time spent up to now is 385.9 secs Computing kpt #: 174 total cpu time spent up to now is 388.4 secs Computing kpt #: 175 total cpu time spent up to now is 390.7 secs Computing kpt #: 176 total cpu time spent up to now is 393.0 secs Computing kpt #: 177 total cpu time spent up to now is 395.3 secs Computing kpt #: 178 total cpu time spent up to now is 397.5 secs Computing kpt #: 179 total cpu time spent up to now is 399.7 secs Computing kpt #: 180 total cpu time spent up to now is 401.8 secs Computing kpt #: 181 total cpu time spent up to now is 404.1 secs Computing kpt #: 182 total cpu time spent up to now is 406.2 secs Computing kpt #: 183 total cpu time spent up to now is 408.3 secs Computing kpt #: 184 total cpu time spent up to now is 410.5 secs Computing kpt #: 185 total cpu time spent up to now is 412.5 secs Computing kpt #: 186 total cpu time spent up to now is 414.7 secs Computing kpt #: 187 total cpu time spent up to now is 416.8 secs Computing kpt #: 188 total cpu time spent up to now is 418.9 secs Computing kpt #: 189 total cpu time spent up to now is 421.1 secs Computing kpt #: 190 total cpu time spent up to now is 423.2 secs Computing kpt #: 191 total cpu time spent up to now is 425.3 secs Computing kpt #: 192 total cpu time spent up to now is 427.5 secs Computing kpt #: 193 total cpu time spent up to now is 429.6 secs Computing kpt #: 194 total cpu time spent up to now is 431.8 secs Computing kpt #: 195 total cpu time spent up to now is 434.0 secs Computing kpt #: 196 total cpu time spent up to now is 436.1 secs Computing kpt #: 197 total cpu time spent up to now is 438.4 secs Computing kpt #: 198 total cpu time spent up to now is 440.5 secs Computing kpt #: 199 total cpu time spent up to now is 442.7 secs Computing kpt #: 200 total cpu time spent up to now is 445.0 secs Computing kpt #: 201 total cpu time spent up to now is 447.2 secs Computing kpt #: 202 total cpu time spent up to now is 449.4 secs Computing kpt #: 203 total cpu time spent up to now is 451.7 secs Computing kpt #: 204 total cpu time spent up to now is 453.9 secs Computing kpt #: 205 total cpu time spent up to now is 456.1 secs Computing kpt #: 206 total cpu time spent up to now is 458.3 secs Computing kpt #: 207 total cpu time spent up to now is 460.6 secs Computing kpt #: 208 total cpu time spent up to now is 462.9 secs Computing kpt #: 209 total cpu time spent up to now is 465.2 secs Computing kpt #: 210 total cpu time spent up to now is 467.5 secs Computing kpt #: 211 total cpu time spent up to now is 469.7 secs Computing kpt #: 212 total cpu time spent up to now is 472.0 secs Computing kpt #: 213 total cpu time spent up to now is 474.3 secs Computing kpt #: 214 total cpu time spent up to now is 477.2 secs Computing kpt #: 215 total cpu time spent up to now is 480.8 secs Computing kpt #: 216 total cpu time spent up to now is 483.1 secs Computing kpt #: 217 total cpu time spent up to now is 485.4 secs Computing kpt #: 218 total cpu time spent up to now is 487.7 secs Computing kpt #: 219 total cpu time spent up to now is 489.9 secs Computing kpt #: 220 total cpu time spent up to now is 492.3 secs Computing kpt #: 221 total cpu time spent up to now is 494.6 secs Computing kpt #: 222 total cpu time spent up to now is 496.9 secs Computing kpt #: 223 total cpu time spent up to now is 499.3 secs Computing kpt #: 224 total cpu time spent up to now is 501.7 secs Computing kpt #: 225 total cpu time spent up to now is 504.1 secs Computing kpt #: 226 total cpu time spent up to now is 506.3 secs Computing kpt #: 227 total cpu time spent up to now is 508.7 secs Computing kpt #: 228 total cpu time spent up to now is 511.1 secs Computing kpt #: 229 total cpu time spent up to now is 513.5 secs Computing kpt #: 230 total cpu time spent up to now is 515.9 secs Computing kpt #: 231 total cpu time spent up to now is 518.4 secs Computing kpt #: 232 total cpu time spent up to now is 520.7 secs Computing kpt #: 233 total cpu time spent up to now is 523.1 secs Computing kpt #: 234 total cpu time spent up to now is 525.5 secs Computing kpt #: 235 total cpu time spent up to now is 527.8 secs Computing kpt #: 236 total cpu time spent up to now is 530.1 secs Computing kpt #: 237 total cpu time spent up to now is 532.3 secs Computing kpt #: 238 total cpu time spent up to now is 534.6 secs Computing kpt #: 239 total cpu time spent up to now is 536.9 secs Computing kpt #: 240 total cpu time spent up to now is 539.3 secs Computing kpt #: 241 total cpu time spent up to now is 541.7 secs Computing kpt #: 242 total cpu time spent up to now is 544.1 secs Computing kpt #: 243 total cpu time spent up to now is 546.7 secs Computing kpt #: 244 total cpu time spent up to now is 549.2 secs Computing kpt #: 245 total cpu time spent up to now is 551.8 secs Computing kpt #: 246 total cpu time spent up to now is 554.3 secs Computing kpt #: 247 total cpu time spent up to now is 556.6 secs Computing kpt #: 248 total cpu time spent up to now is 559.0 secs Computing kpt #: 249 total cpu time spent up to now is 561.3 secs Computing kpt #: 250 total cpu time spent up to now is 563.7 secs Computing kpt #: 251 total cpu time spent up to now is 566.0 secs Computing kpt #: 252 total cpu time spent up to now is 568.3 secs Computing kpt #: 253 total cpu time spent up to now is 570.6 secs Computing kpt #: 254 total cpu time spent up to now is 573.0 secs Computing kpt #: 255 total cpu time spent up to now is 575.2 secs Computing kpt #: 256 total cpu time spent up to now is 577.7 secs Computing kpt #: 257 total cpu time spent up to now is 580.2 secs Computing kpt #: 258 total cpu time spent up to now is 582.7 secs Computing kpt #: 259 total cpu time spent up to now is 585.2 secs Computing kpt #: 260 total cpu time spent up to now is 587.7 secs Computing kpt #: 261 total cpu time spent up to now is 590.2 secs Computing kpt #: 262 total cpu time spent up to now is 592.5 secs Computing kpt #: 263 total cpu time spent up to now is 594.8 secs Computing kpt #: 264 total cpu time spent up to now is 597.1 secs Computing kpt #: 265 total cpu time spent up to now is 599.4 secs Computing kpt #: 266 total cpu time spent up to now is 601.6 secs Computing kpt #: 267 total cpu time spent up to now is 603.7 secs Computing kpt #: 268 total cpu time spent up to now is 605.8 secs Computing kpt #: 269 total cpu time spent up to now is 608.0 secs Computing kpt #: 270 total cpu time spent up to now is 610.2 secs Computing kpt #: 271 total cpu time spent up to now is 612.5 secs Computing kpt #: 272 total cpu time spent up to now is 614.8 secs Computing kpt #: 273 total cpu time spent up to now is 617.2 secs Computing kpt #: 274 total cpu time spent up to now is 619.7 secs Computing kpt #: 275 total cpu time spent up to now is 622.0 secs Computing kpt #: 276 total cpu time spent up to now is 624.3 secs Computing kpt #: 277 total cpu time spent up to now is 626.5 secs Computing kpt #: 278 total cpu time spent up to now is 628.7 secs Computing kpt #: 279 total cpu time spent up to now is 630.9 secs Computing kpt #: 280 total cpu time spent up to now is 633.1 secs Computing kpt #: 281 total cpu time spent up to now is 635.1 secs Computing kpt #: 282 total cpu time spent up to now is 637.3 secs Computing kpt #: 283 total cpu time spent up to now is 639.3 secs Computing kpt #: 284 total cpu time spent up to now is 641.4 secs Computing kpt #: 285 total cpu time spent up to now is 643.6 secs Computing kpt #: 286 total cpu time spent up to now is 645.7 secs Computing kpt #: 287 total cpu time spent up to now is 647.9 secs Computing kpt #: 288 total cpu time spent up to now is 650.1 secs Computing kpt #: 289 total cpu time spent up to now is 652.4 secs Computing kpt #: 290 total cpu time spent up to now is 654.6 secs Computing kpt #: 291 total cpu time spent up to now is 656.9 secs Computing kpt #: 292 total cpu time spent up to now is 659.2 secs Computing kpt #: 293 total cpu time spent up to now is 661.5 secs Computing kpt #: 294 total cpu time spent up to now is 663.9 secs Computing kpt #: 295 total cpu time spent up to now is 666.4 secs Computing kpt #: 296 total cpu time spent up to now is 668.8 secs Computing kpt #: 297 total cpu time spent up to now is 671.1 secs Computing kpt #: 298 total cpu time spent up to now is 673.3 secs Computing kpt #: 299 total cpu time spent up to now is 675.6 secs Computing kpt #: 300 total cpu time spent up to now is 677.8 secs Computing kpt #: 301 total cpu time spent up to now is 680.0 secs Computing kpt #: 302 total cpu time spent up to now is 682.3 secs ethr = 1.85E-11, avg # of iterations = 34.9 total cpu time spent up to now is 682.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4615 PWs) bands (ev): -5.6593 -5.6593 -4.9044 -4.9044 -4.8978 -4.8978 -0.2306 -0.2306 -0.1590 -0.1590 -0.1206 -0.1206 0.0900 0.0900 0.1491 0.1491 0.1660 0.1660 1.1540 1.1540 1.2120 1.2120 1.5947 1.5947 1.7268 1.7268 1.7506 1.7506 1.8658 1.8658 1.9163 1.9163 1.9754 1.9754 2.0054 2.0054 3.1464 3.1464 3.2145 3.2145 5.7745 5.7745 5.8989 5.8989 5.9802 5.9802 6.5669 6.5669 6.6835 6.6835 7.0417 7.0417 7.0585 7.0585 7.3483 7.3483 9.6603 9.6603 9.6822 9.6822 12.0894 12.0894 12.1250 12.1250 k = 0.0114 0.0066-0.0000 ( 4623 PWs) bands (ev): -5.6586 -5.6585 -4.9044 -4.9040 -4.8976 -4.8976 -0.2351 -0.2256 -0.1592 -0.1592 -0.1216 -0.1186 0.0877 0.0925 0.1490 0.1490 0.1658 0.1664 1.1469 1.1616 1.2123 1.2124 1.5925 1.5970 1.7266 1.7271 1.7507 1.7507 1.8642 1.8670 1.9162 1.9162 1.9726 1.9781 2.0059 2.0059 3.1469 3.1469 3.2136 3.2164 5.7308 5.7478 5.8996 5.9203 5.9869 5.9893 6.5620 6.5740 6.6895 6.6990 7.0375 7.0407 7.0561 7.0566 7.3465 7.3467 9.6599 9.6673 9.6854 9.6856 12.0761 12.0783 12.1152 12.1310 k = 0.0227 0.0131-0.0000 ( 4611 PWs) bands (ev): -5.6565 -5.6564 -4.9041 -4.9032 -4.8970 -4.8970 -0.2393 -0.2203 -0.1599 -0.1594 -0.1215 -0.1158 0.0855 0.0951 0.1489 0.1490 0.1659 0.1671 1.1405 1.1695 1.2132 1.2139 1.5903 1.5993 1.7264 1.7274 1.7512 1.7513 1.8624 1.8678 1.9160 1.9162 1.9699 1.9805 2.0070 2.0074 3.1484 3.1485 3.2137 3.2194 5.6535 5.6721 5.9108 5.9308 6.0006 6.0116 6.5590 6.5788 6.7210 6.7344 7.0279 7.0349 7.0485 7.0519 7.3414 7.3417 9.6664 9.6793 9.6948 9.6963 12.0418 12.0506 12.1002 12.1263 k = 0.0341 0.0197-0.0000 ( 4607 PWs) bands (ev): -5.6530 -5.6528 -4.9034 -4.9022 -4.8960 -4.8959 -0.2431 -0.2148 -0.1611 -0.1596 -0.1204 -0.1123 0.0835 0.0977 0.1485 0.1489 0.1663 0.1679 1.1350 1.1773 1.2144 1.2169 1.5880 1.6016 1.7262 1.7276 1.7518 1.7522 1.8605 1.8679 1.9155 1.9162 1.9673 1.9825 2.0088 2.0100 3.1506 3.1509 3.2150 3.2233 5.5615 5.5789 5.9147 5.9321 6.0102 6.0293 6.5548 6.5776 6.7784 6.7880 7.0134 7.0251 7.0363 7.0453 7.3333 7.3344 9.6791 9.6940 9.7097 9.7151 11.9955 12.0116 12.0753 12.1088 k = 0.0455 0.0262-0.0000 ( 4597 PWs) bands (ev): -5.6481 -5.6479 -4.9025 -4.9010 -4.8945 -4.8943 -0.2463 -0.2092 -0.1627 -0.1594 -0.1183 -0.1084 0.0818 0.1005 0.1481 0.1488 0.1670 0.1688 1.1303 1.1845 1.2159 1.2218 1.5858 1.6040 1.7262 1.7278 1.7528 1.7535 1.8586 1.8674 1.9148 1.9165 1.9649 1.9842 2.0112 2.0138 3.1533 3.1542 3.2177 3.2283 5.4617 5.4778 5.9124 5.9303 6.0092 6.0341 6.5472 6.5708 6.8509 6.8564 6.9956 7.0096 7.0242 7.0401 7.3230 7.3257 9.6966 9.7093 9.7296 9.7412 11.9424 11.9647 12.0415 12.0802 k = 0.0568 0.0328-0.0000 ( 4597 PWs) bands (ev): -5.6418 -5.6416 -4.9015 -4.8996 -4.8924 -4.8920 -0.2491 -0.2037 -0.1646 -0.1586 -0.1155 -0.1040 0.0803 0.1033 0.1474 0.1489 0.1681 0.1699 1.1265 1.1907 1.2175 1.2291 1.5836 1.6063 1.7260 1.7279 1.7539 1.7552 1.8568 1.8662 1.9139 1.9169 1.9628 1.9856 2.0140 2.0185 3.1563 3.1581 3.2220 3.2346 5.3576 5.3728 5.9054 5.9267 5.9970 6.0260 6.5353 6.5593 6.8989 6.9402 6.9777 6.9921 7.0158 7.0562 7.3118 7.3165 9.7161 9.7238 9.7545 9.7728 11.8862 11.9131 12.0022 12.0431 k = 0.0682 0.0394-0.0000 ( 4597 PWs) bands (ev): -5.6342 -5.6339 -4.9003 -4.8983 -4.8897 -4.8890 -0.2515 -0.1984 -0.1665 -0.1570 -0.1121 -0.0994 0.0791 0.1061 0.1466 0.1490 0.1696 0.1710 1.1236 1.1960 1.2192 1.2386 1.5813 1.6086 1.7255 1.7282 1.7553 1.7574 1.8553 1.8643 1.9128 1.9177 1.9609 1.9868 2.0172 2.0241 3.1594 3.1623 3.2281 3.2422 5.2512 5.2659 5.8933 5.9214 5.9756 6.0074 6.5188 6.5433 6.9004 6.9424 6.9694 6.9912 7.0666 7.1214 7.3012 7.3080 9.7332 9.7359 9.7844 9.8087 11.8293 11.8600 11.9618 12.0008 k = 0.0795 0.0459-0.0000 ( 4611 PWs) bands (ev): -5.6253 -5.6249 -4.8991 -4.8969 -4.8864 -4.8854 -0.2533 -0.1937 -0.1683 -0.1542 -0.1082 -0.0946 0.0781 0.1090 0.1457 0.1492 0.1714 0.1724 1.1216 1.2008 1.2209 1.2500 1.5790 1.6110 1.7245 1.7288 1.7569 1.7599 1.8541 1.8617 1.9115 1.9186 1.9593 1.9879 2.0209 2.0304 3.1620 3.1666 3.2363 3.2513 5.1439 5.1585 5.8745 5.9137 5.9480 5.9816 6.4977 6.5232 6.8729 6.9033 6.9607 6.9770 7.1689 7.2180 7.2941 7.3018 9.7397 9.7476 9.8190 9.8478 11.7726 11.8085 11.9250 11.9573 k = 0.0909 0.0525-0.0000 ( 4611 PWs) bands (ev): -5.6150 -5.6146 -4.8978 -4.8954 -4.8825 -4.8812 -0.2547 -0.1899 -0.1698 -0.1502 -0.1040 -0.0895 0.0775 0.1118 0.1447 0.1495 0.1733 0.1741 1.1204 1.2053 1.2227 1.2627 1.5767 1.6133 1.7228 1.7296 1.7588 1.7629 1.8531 1.8588 1.9103 1.9198 1.9579 1.9892 2.0249 2.0371 3.1642 3.1707 3.2467 3.2621 5.0367 5.0516 5.8457 5.8987 5.9203 5.9535 6.4726 6.4993 6.8327 6.8563 6.9519 6.9629 7.2492 7.2901 7.3215 7.3308 9.7366 9.7522 9.8569 9.8890 11.7154 11.7610 11.8965 11.9177 k = 0.1023 0.0590-0.0000 ( 4601 PWs) bands (ev): -5.6035 -5.6030 -4.8964 -4.8939 -4.8780 -4.8764 -0.2555 -0.1872 -0.1706 -0.1449 -0.0996 -0.0842 0.0772 0.1147 0.1436 0.1500 0.1751 0.1764 1.1200 1.2097 1.2247 1.2764 1.5742 1.6156 1.7206 1.7307 1.7611 1.7663 1.8517 1.8561 1.9091 1.9211 1.9567 1.9905 2.0294 2.0443 3.1656 3.1743 3.2592 3.2746 4.9303 4.9458 5.8058 5.8638 5.9036 5.9284 6.4443 6.4720 6.7839 6.8029 6.9439 6.9518 7.2600 7.2868 7.4215 7.4443 9.7229 9.7464 9.8969 9.9314 11.6578 11.7165 11.8801 11.8884 k = 0.1136 0.0656-0.0000 ( 4596 PWs) bands (ev): -5.5908 -5.5902 -4.8949 -4.8923 -4.8730 -4.8711 -0.2560 -0.1859 -0.1705 -0.1384 -0.0951 -0.0789 0.0773 0.1175 0.1424 0.1507 0.1770 0.1792 1.1204 1.2137 1.2273 1.2909 1.5717 1.6178 1.7178 1.7321 1.7637 1.7700 1.8487 1.8550 1.9080 1.9225 1.9557 1.9919 2.0342 2.0519 3.1662 3.1771 3.2739 3.2890 4.8253 4.8416 5.7563 5.8155 5.8904 5.9075 6.4136 6.4420 6.7282 6.7440 6.9369 6.9443 7.2573 7.2835 7.5378 7.5623 9.6971 9.7286 9.9374 9.9739 11.6006 11.6721 11.8744 11.8799 k = 0.1250 0.0722-0.0000 ( 4600 PWs) bands (ev): -5.5768 -5.5763 -4.8933 -4.8906 -4.8675 -4.8653 -0.2560 -0.1857 -0.1694 -0.1309 -0.0905 -0.0734 0.0778 0.1203 0.1412 0.1515 0.1790 0.1825 1.1214 1.2166 1.2312 1.3060 1.5691 1.6198 1.7144 1.7336 1.7667 1.7741 1.8444 1.8551 1.9072 1.9241 1.9549 1.9936 2.0393 2.0597 3.1659 3.1789 3.2905 3.3052 4.7222 4.7395 5.7000 5.7600 5.8759 5.8888 6.3816 6.4097 6.6670 6.6806 6.9311 6.9397 7.2541 7.2814 7.6561 7.6813 9.6594 9.6982 9.9771 10.0156 11.5453 11.6261 11.8812 11.8949 k = 0.1364 0.0787-0.0000 ( 4594 PWs) bands (ev): -5.5618 -5.5612 -4.8917 -4.8888 -4.8615 -4.8591 -0.2557 -0.1864 -0.1674 -0.1228 -0.0858 -0.0678 0.0786 0.1232 0.1399 0.1525 0.1813 0.1862 1.1230 1.2183 1.2368 1.3215 1.5664 1.6217 1.7106 1.7354 1.7700 1.7784 1.8395 1.8558 1.9067 1.9258 1.9542 1.9955 2.0447 2.0677 3.1646 3.1794 3.3089 3.3233 4.6214 4.6399 5.6391 5.6997 5.8592 5.8704 6.3489 6.3753 6.6019 6.6138 6.9268 6.9369 7.2517 7.2803 7.7736 7.7998 9.6105 9.6556 10.0147 10.0554 11.4929 11.5793 11.9068 11.9264 k = 0.1477 0.0853-0.0000 ( 4588 PWs) bands (ev): -5.5457 -5.5450 -4.8900 -4.8870 -4.8550 -4.8524 -0.2549 -0.1874 -0.1649 -0.1143 -0.0810 -0.0621 0.0798 0.1260 0.1386 0.1537 0.1840 0.1903 1.1251 1.2189 1.2438 1.3372 1.5637 1.6233 1.7065 1.7375 1.7737 1.7829 1.8343 1.8568 1.9067 1.9275 1.9536 1.9977 2.0504 2.0758 3.1620 3.1783 3.3288 3.3431 4.5233 4.5432 5.5753 5.6360 5.8402 5.8513 6.3158 6.3384 6.5344 6.5451 6.9235 6.9353 7.2505 7.2803 7.8884 7.9163 9.5524 9.6024 10.0488 10.0923 11.4446 11.5336 11.9489 11.9730 k = 0.1591 0.0919-0.0000 ( 4596 PWs) bands (ev): -5.5285 -5.5278 -4.8882 -4.8851 -4.8481 -4.8453 -0.2539 -0.1886 -0.1619 -0.1058 -0.0761 -0.0565 0.0813 0.1288 0.1374 0.1551 0.1871 0.1950 1.1276 1.2187 1.2520 1.3530 1.5611 1.6245 1.7023 1.7398 1.7777 1.7877 1.8288 1.8578 1.9072 1.9294 1.9530 2.0003 2.0564 2.0841 3.1581 3.1756 3.3501 3.3647 4.4281 4.4497 5.5098 5.5702 5.8188 5.8306 6.2818 6.2975 6.4662 6.4775 6.9207 6.9344 7.2504 7.2813 7.9987 8.0293 9.4881 9.5411 10.0783 10.1253 11.4014 11.4909 12.0042 12.0321 k = 0.1705 0.0984-0.0000 ( 4604 PWs) bands (ev): -5.5104 -5.5096 -4.8864 -4.8832 -4.8409 -4.8379 -0.2527 -0.1899 -0.1585 -0.0976 -0.0709 -0.0510 0.0832 0.1315 0.1364 0.1565 0.1909 0.2002 1.1305 1.2179 1.2612 1.3687 1.5586 1.6250 1.6984 1.7424 1.7821 1.7925 1.8231 1.8587 1.9082 1.9315 1.9525 2.0033 2.0625 2.0923 3.1526 3.1707 3.3726 3.3880 4.3362 4.3596 5.4438 5.5035 5.7951 5.8079 6.2453 6.2501 6.3990 6.4156 6.9180 6.9338 7.2512 7.2831 8.1022 8.1367 9.4210 9.4748 10.1024 10.1535 11.3640 11.4525 12.0692 12.1006 k = 0.1818 0.1050-0.0000 ( 4596 PWs) bands (ev): -5.4914 -5.4906 -4.8846 -4.8813 -4.8333 -4.8301 -0.2512 -0.1911 -0.1548 -0.0901 -0.0651 -0.0455 0.0854 0.1332 0.1365 0.1581 0.1953 0.2060 1.1336 1.2167 1.2712 1.3841 1.5564 1.6246 1.6951 1.7452 1.7868 1.7975 1.8174 1.8594 1.9098 1.9337 1.9520 2.0067 2.0688 2.1006 3.1453 3.1636 3.3960 3.4127 4.2478 4.2733 5.3784 5.4368 5.7692 5.7829 6.1926 6.2032 6.3370 6.3635 6.9150 6.9331 7.2531 7.2858 8.1958 8.2359 9.3554 9.4075 10.1204 10.1761 11.3329 11.4194 12.1397 12.1748 k = 0.1932 0.1115-0.0000 ( 4580 PWs) bands (ev): -5.4717 -5.4708 -4.8827 -4.8793 -4.8254 -4.8220 -0.2495 -0.1922 -0.1507 -0.0837 -0.0586 -0.0403 0.0878 0.1329 0.1389 0.1597 0.2007 0.2125 1.1370 1.2150 1.2818 1.3987 1.5549 1.6231 1.6928 1.7483 1.7917 1.8024 1.8117 1.8598 1.9118 1.9363 1.9516 2.0105 2.0752 2.1089 3.1359 3.1539 3.4202 3.4388 4.1632 4.1910 5.3144 5.3711 5.7411 5.7555 6.1258 6.1499 6.2862 6.3218 6.9116 6.9320 7.2559 7.2891 8.2752 8.3232 9.2965 9.3441 10.1320 10.1926 11.3082 11.3922 12.2109 12.2501 k = 0.2045 0.1181-0.0000 ( 4574 PWs) bands (ev): -5.4512 -5.4503 -4.8808 -4.8772 -4.8172 -4.8137 -0.2477 -0.1933 -0.1463 -0.0784 -0.0517 -0.0351 0.0904 0.1320 0.1419 0.1614 0.2070 0.2199 1.1405 1.2130 1.2931 1.4121 1.5543 1.6203 1.6915 1.7516 1.7968 1.8058 1.8078 1.8599 1.9142 1.9391 1.9514 2.0149 2.0817 2.1170 3.1242 3.1414 3.4450 3.4661 4.0827 4.1129 5.2526 5.3069 5.7108 5.7257 6.0516 6.0851 6.2484 6.2884 6.9075 6.9303 7.2593 7.2929 8.3350 8.3931 9.2506 9.2908 10.1373 10.2029 11.2898 11.3710 12.2762 12.3208 k = 0.2159 0.1247-0.0000 ( 4584 PWs) bands (ev): -5.4301 -5.4291 -4.8788 -4.8752 -4.8088 -4.8052 -0.2459 -0.1942 -0.1416 -0.0742 -0.0449 -0.0300 0.0930 0.1310 0.1449 0.1631 0.2145 0.2281 1.1440 1.2107 1.3047 1.4238 1.5551 1.6164 1.6913 1.7554 1.8004 1.8026 1.8124 1.8596 1.9166 1.9423 1.9514 2.0198 2.0881 2.1250 3.1100 3.1258 3.4704 3.4943 4.0062 4.0391 5.1937 5.2449 5.6783 5.6935 5.9734 6.0129 6.2201 6.2609 6.9028 6.9276 7.2634 7.2970 8.3694 8.4394 9.2236 9.2546 10.1369 10.2071 11.2772 11.3554 12.3273 12.3800 k = 0.2273 0.1312-0.0000 ( 4588 PWs) bands (ev): -5.4084 -5.4074 -4.8769 -4.8732 -4.8003 -4.7965 -0.2440 -0.1951 -0.1366 -0.0707 -0.0387 -0.0246 0.0956 0.1302 0.1479 0.1649 0.2234 0.2372 1.1476 1.2080 1.3165 1.4331 1.5579 1.6114 1.6921 1.7594 1.7957 1.8078 1.8172 1.8590 1.9189 1.9453 1.9526 2.0253 2.0945 2.1329 3.0933 3.1072 3.4961 3.5232 3.9340 3.9696 5.1380 5.1855 5.6435 5.6588 5.8936 5.9380 6.1977 6.2376 6.8973 6.9241 7.2679 7.3012 8.3752 8.4565 9.2190 9.2415 10.1319 10.2059 11.2693 11.3450 12.3542 12.4206 k = 0.2386 0.1378-0.0000 ( 4590 PWs) bands (ev): -5.3864 -5.3853 -4.8749 -4.8711 -4.7916 -4.7877 -0.2421 -0.1958 -0.1313 -0.0677 -0.0337 -0.0189 0.0981 0.1295 0.1507 0.1668 0.2337 0.2473 1.1512 1.2052 1.3282 1.4394 1.5630 1.6058 1.6935 1.7639 1.7915 1.8135 1.8218 1.8580 1.9208 1.9474 1.9560 2.0313 2.1008 2.1406 3.0739 3.0856 3.5221 3.5526 3.8660 3.9044 5.0857 5.1289 5.6061 5.6213 5.8145 5.8634 6.1793 6.2175 6.8911 6.9195 7.2726 7.3053 8.3535 8.4433 9.2352 9.2525 10.1233 10.2003 11.2650 11.3390 12.3507 12.4381 k = 0.2500 0.1443-0.0000 ( 4584 PWs) bands (ev): -5.3640 -5.3628 -4.8729 -4.8690 -4.7828 -4.7788 -0.2402 -0.1965 -0.1258 -0.0651 -0.0299 -0.0131 0.1005 0.1289 0.1530 0.1688 0.2455 0.2585 1.1548 1.2021 1.3395 1.4426 1.5704 1.6000 1.6951 1.7688 1.7883 1.8191 1.8263 1.8568 1.9222 1.9484 1.9618 2.0380 2.1069 2.1482 3.0521 3.0613 3.5481 3.5822 3.8020 3.8432 5.0369 5.0751 5.5655 5.5802 5.7385 5.7918 6.1639 6.2001 6.8843 6.9140 7.2773 7.3090 8.3102 8.4048 9.2665 9.2820 10.1128 10.1914 11.2627 11.3368 12.3193 12.4334 k = 0.2614 0.1509-0.0000 ( 4582 PWs) bands (ev): -5.3413 -5.3401 -4.8708 -4.8669 -4.7740 -4.7700 -0.2384 -0.1970 -0.1200 -0.0627 -0.0272 -0.0074 0.1026 0.1285 0.1550 0.1709 0.2587 0.2707 1.1583 1.1988 1.3499 1.4429 1.5796 1.5947 1.6966 1.7737 1.7868 1.8247 1.8305 1.8552 1.9228 1.9493 1.9693 2.0454 2.1128 2.1556 3.0281 3.0346 3.5740 3.6115 3.7422 3.7860 4.9909 5.0239 5.5209 5.5347 5.6683 5.7251 6.1509 6.1850 6.8768 6.9075 7.2816 7.3120 8.2522 8.3483 9.3061 9.3214 10.1018 10.1805 11.2610 11.3377 12.2686 12.4117 k = 0.2727 0.1575-0.0000 ( 4582 PWs) bands (ev): -5.3186 -5.3174 -4.8688 -4.8648 -4.7651 -4.7611 -0.2366 -0.1975 -0.1141 -0.0605 -0.0253 -0.0024 0.1045 0.1284 0.1565 0.1729 0.2732 0.2839 1.1618 1.1954 1.3590 1.4407 1.5865 1.5935 1.6974 1.7773 1.7886 1.8302 1.8345 1.8534 1.9228 1.9504 1.9785 2.0536 2.1184 2.1628 3.0023 3.0062 3.5995 3.6389 3.6869 3.7329 4.9471 4.9749 5.4719 5.4834 5.6067 5.6653 6.1403 6.1722 6.8689 6.9003 7.2854 7.3140 8.1854 8.2809 9.3473 9.3631 10.0916 10.1688 11.2589 11.3410 12.2076 12.3795 k = 0.2841 0.1640-0.0000 ( 4586 PWs) bands (ev): -5.2960 -5.2947 -4.8667 -4.8627 -4.7564 -4.7524 -0.2349 -0.1978 -0.1080 -0.0584 -0.0239 0.0018 0.1060 0.1284 0.1577 0.1748 0.2889 0.2980 1.1653 1.1919 1.3661 1.4365 1.5844 1.6032 1.6975 1.7790 1.7944 1.8354 1.8384 1.8514 1.9223 1.9515 1.9893 2.0626 2.1237 2.1700 2.9751 2.9768 3.6217 3.6321 3.6628 3.6914 4.9038 4.9278 5.4193 5.4272 5.5549 5.6127 6.1319 6.1615 6.8606 6.8924 7.2882 7.3146 8.1142 8.2075 9.3853 9.4016 10.0832 10.1571 11.2556 11.3461 12.1426 12.3415 k = 0.2955 0.1706-0.0000 ( 4588 PWs) bands (ev): -5.2735 -5.2721 -4.8646 -4.8605 -4.7478 -4.7437 -0.2333 -0.1981 -0.1019 -0.0562 -0.0229 0.0051 0.1072 0.1287 0.1585 0.1766 0.3055 0.3130 1.1687 1.1883 1.3709 1.4307 1.5824 1.6142 1.6968 1.7804 1.8026 1.8401 1.8422 1.8494 1.9213 1.9527 2.0018 2.0728 2.1287 2.1772 2.9463 2.9479 3.5802 3.6257 3.6514 3.7046 4.8595 4.8820 5.3649 5.3697 5.5110 5.5669 6.1258 6.1532 6.8519 6.8839 7.2898 7.3137 8.0415 8.1315 9.4165 9.4336 10.0770 10.1460 11.2511 11.3523 12.0779 12.3011 k = 0.3068 0.1771-0.0000 ( 4588 PWs) bands (ev): -5.2513 -5.2498 -4.8624 -4.8582 -4.7394 -4.7353 -0.2317 -0.1982 -0.0957 -0.0540 -0.0222 0.0075 0.1080 0.1292 0.1589 0.1782 0.3228 0.3288 1.1718 1.1849 1.3728 1.4235 1.5823 1.6249 1.6953 1.7822 1.8116 1.8429 1.8459 1.8488 1.9200 1.9538 2.0161 2.0842 2.1332 2.1846 2.9168 2.9199 3.5333 3.5813 3.6737 3.7302 4.8125 4.8368 5.3098 5.3162 5.4724 5.5266 6.1224 6.1474 6.8431 6.8750 7.2899 7.3107 7.9695 8.0554 9.4391 9.4574 10.0729 10.1354 11.2458 11.3587 12.0162 12.2596 k = 0.3182 0.1837-0.0000 ( 4584 PWs) bands (ev): -5.2295 -5.2280 -4.8601 -4.8559 -4.7311 -4.7271 -0.2302 -0.1983 -0.0897 -0.0514 -0.0216 0.0090 0.1081 0.1302 0.1590 0.1796 0.3405 0.3453 1.1743 1.1821 1.3717 1.4150 1.5842 1.6344 1.6934 1.7847 1.8204 1.8419 1.8500 1.8520 1.9184 1.9548 2.0321 2.0972 2.1373 2.1925 2.8880 2.8925 3.4886 3.5374 3.6954 3.7552 4.7624 4.7910 5.2572 5.2685 5.4375 5.4907 6.1217 6.1444 6.8341 6.8658 7.2883 7.3055 7.8995 7.9805 9.4526 9.4725 10.0696 10.1248 11.2405 11.3648 11.9590 12.2178 k = 0.3295 0.1903-0.0000 ( 4592 PWs) bands (ev): -5.2083 -5.2067 -4.8577 -4.8536 -4.7232 -4.7192 -0.2288 -0.1983 -0.0840 -0.0486 -0.0211 0.0099 0.1077 0.1314 0.1587 0.1807 0.3582 0.3623 1.1743 1.1819 1.3679 1.4053 1.5882 1.6426 1.6915 1.7875 1.8270 1.8403 1.8550 1.8566 1.9166 1.9556 2.0496 2.1119 2.1411 2.2013 2.8607 2.8661 3.4463 3.4950 3.7152 3.7781 4.7099 4.7436 5.2093 5.2273 5.4052 5.4581 6.1242 6.1444 6.8252 6.8564 7.2847 7.2978 7.8327 7.9080 9.4578 9.4794 10.0659 10.1132 11.2359 11.3703 11.9074 12.1756 k = 0.3409 0.1968-0.0000 ( 4592 PWs) bands (ev): -5.1878 -5.1862 -4.8553 -4.8511 -4.7156 -4.7117 -0.2273 -0.1982 -0.0788 -0.0453 -0.0206 0.0101 0.1067 0.1329 0.1580 0.1815 0.3757 0.3798 1.1717 1.1843 1.3617 1.3944 1.5938 1.6489 1.6900 1.7908 1.8288 1.8407 1.8594 1.8636 1.9145 1.9562 2.0683 2.1288 2.1444 2.2116 2.8351 2.8412 3.4063 3.4545 3.7323 3.7979 4.6562 4.6949 5.1666 5.1925 5.3750 5.4283 6.1301 6.1478 6.8163 6.8469 7.2789 7.2873 7.7697 7.8386 9.4560 9.4793 10.0601 10.0999 11.2328 11.3747 11.8616 12.1332 k = 0.3523 0.2034-0.0000 ( 4596 PWs) bands (ev): -5.1682 -5.1666 -4.8527 -4.8486 -4.7083 -4.7045 -0.2260 -0.1981 -0.0741 -0.0415 -0.0199 0.0100 0.1051 0.1345 0.1570 0.1820 0.3928 0.3973 1.1685 1.1875 1.3534 1.3827 1.6005 1.6533 1.6892 1.7943 1.8263 1.8429 1.8632 1.8724 1.9122 1.9565 2.0870 2.1469 2.1489 2.2240 2.8116 2.8182 3.3687 3.4159 3.7457 3.8134 4.6028 4.6460 5.1287 5.1634 5.3465 5.4007 6.1396 6.1550 6.8077 6.8376 7.2705 7.2742 7.7110 7.7729 9.4487 9.4734 10.0511 10.0840 11.2316 11.3781 11.8215 12.0907 k = 0.3636 0.2099-0.0000 ( 4604 PWs) bands (ev): -5.1496 -5.1479 -4.8500 -4.8460 -4.7015 -4.6978 -0.2246 -0.1980 -0.0700 -0.0373 -0.0190 0.0097 0.1031 0.1362 0.1556 0.1822 0.4096 0.4146 1.1653 1.1909 1.3434 1.3706 1.6078 1.6560 1.6891 1.7981 1.8223 1.8451 1.8665 1.8816 1.9098 1.9566 2.1045 2.1498 2.1713 2.2396 2.7901 2.7974 3.3335 3.3794 3.7544 3.8232 4.5523 4.5989 5.0951 5.1387 5.3196 5.3750 6.1529 6.1663 6.7993 6.8284 7.2569 7.2609 7.6569 7.7113 9.4376 9.4632 10.0384 10.0654 11.2323 11.3804 11.7867 12.0484 k = 0.3750 0.2165-0.0000 ( 4604 PWs) bands (ev): -5.1321 -5.1304 -4.8472 -4.8433 -4.6951 -4.6915 -0.2232 -0.1979 -0.0666 -0.0330 -0.0178 0.0097 0.1005 0.1377 0.1540 0.1821 0.4258 0.4314 1.1623 1.1944 1.3318 1.3583 1.6152 1.6577 1.6892 1.8020 1.8176 1.8469 1.8695 1.8902 1.9074 1.9565 2.1195 2.1521 2.1978 2.2590 2.7707 2.7788 3.3008 3.3450 3.7573 3.8258 4.5070 4.5559 5.0649 5.1172 5.2943 5.3506 6.1699 6.1817 6.7913 6.8196 7.2380 7.2476 7.6075 7.6541 9.4240 9.4498 10.0221 10.0443 11.2350 11.3816 11.7567 12.0066 k = 0.3864 0.2231-0.0000 ( 4592 PWs) bands (ev): -5.1158 -5.1142 -4.8443 -4.8405 -4.6891 -4.6858 -0.2218 -0.1979 -0.0638 -0.0290 -0.0162 0.0103 0.0976 0.1387 0.1524 0.1817 0.4413 0.4473 1.1596 1.1978 1.3189 1.3465 1.6221 1.6592 1.6891 1.8060 1.8123 1.8485 1.8720 1.8967 1.9062 1.9562 2.1316 2.1541 2.2277 2.2825 2.7533 2.7626 3.2708 3.3128 3.7534 3.8198 4.4694 4.5190 5.0377 5.0976 5.2705 5.3274 6.1905 6.2013 6.7838 6.8111 7.2165 7.2320 7.5626 7.6015 9.4089 9.4344 10.0028 10.0213 11.2394 11.3818 11.7309 11.9660 k = 0.3977 0.2296-0.0000 ( 4600 PWs) bands (ev): -5.1009 -5.0993 -4.8414 -4.8376 -4.6837 -4.6806 -0.2204 -0.1980 -0.0614 -0.0260 -0.0142 0.0120 0.0943 0.1387 0.1515 0.1811 0.4561 0.4623 1.1573 1.2012 1.3052 1.3351 1.6278 1.6616 1.6882 1.8065 1.8103 1.8500 1.8741 1.8979 1.9094 1.9557 2.1408 2.1559 2.2606 2.3098 2.7377 2.7486 3.2435 3.2831 3.7420 3.8043 4.4412 4.4899 5.0130 5.0790 5.2482 5.3052 6.2143 6.2249 6.7768 6.8032 7.1929 7.2141 7.5219 7.5536 9.3933 9.4178 9.9815 9.9972 11.2451 11.3809 11.7090 11.9268 k = 0.4091 0.2362-0.0000 ( 4598 PWs) bands (ev): -5.0875 -5.0859 -4.8383 -4.8348 -4.6788 -4.6759 -0.2189 -0.1982 -0.0593 -0.0246 -0.0114 0.0149 0.0908 0.1369 0.1516 0.1802 0.4698 0.4760 1.1556 1.2044 1.2911 1.3244 1.6320 1.6656 1.6865 1.8004 1.8145 1.8515 1.8755 1.8961 1.9150 1.9552 2.1477 2.1575 2.2956 2.3403 2.7237 2.7366 3.2190 3.2559 3.7233 3.7798 4.4228 4.4694 4.9906 5.0606 5.2278 5.2837 6.2408 6.2518 6.7704 6.7958 7.1680 7.1941 7.4851 7.5107 9.3779 9.4010 9.9593 9.9728 11.2519 11.3789 11.6908 11.8895 k = 0.4205 0.2427-0.0000 ( 4586 PWs) bands (ev): -5.0755 -5.0741 -4.8353 -4.8321 -4.6745 -4.6718 -0.2173 -0.1985 -0.0574 -0.0248 -0.0077 0.0190 0.0873 0.1337 0.1527 0.1791 0.4824 0.4884 1.1546 1.2072 1.2775 1.3142 1.6348 1.6712 1.6840 1.7936 1.8187 1.8530 1.8764 1.8939 1.9204 1.9545 2.1528 2.1590 2.3319 2.3730 2.7112 2.7261 3.1976 3.2314 3.6983 3.7480 4.4137 4.4571 4.9705 5.0421 5.2095 5.2631 6.2695 6.2811 6.7648 6.7891 7.1425 7.1723 7.4521 7.4728 9.3633 9.3844 9.9374 9.9490 11.2594 11.3757 11.6763 11.8542 k = 0.4318 0.2493-0.0000 ( 4586 PWs) bands (ev): -5.0651 -5.0638 -4.8323 -4.8294 -4.6707 -4.6683 -0.2157 -0.1990 -0.0555 -0.0261 -0.0036 0.0236 0.0840 0.1293 0.1544 0.1777 0.4938 0.4993 1.1545 1.2090 1.2652 1.3046 1.6368 1.6766 1.6822 1.7863 1.8230 1.8542 1.8766 1.8920 1.9252 1.9536 2.1566 2.1603 2.3686 2.4067 2.6998 2.7168 3.1793 3.2097 3.6689 3.7113 4.4120 4.4518 4.9529 5.0232 5.1937 5.2436 6.2996 6.3115 6.7600 6.7830 7.1171 7.1490 7.4228 7.4400 9.3499 9.3687 9.9168 9.9267 11.2674 11.3712 11.6657 11.8214 k = 0.4432 0.2559-0.0000 ( 4590 PWs) bands (ev): -5.0563 -5.0552 -4.8296 -4.8270 -4.6675 -4.6654 -0.2140 -0.1997 -0.0536 -0.0283 0.0011 0.0281 0.0814 0.1242 0.1564 0.1762 0.5037 0.5086 1.1552 1.2089 1.2556 1.2956 1.6385 1.6749 1.6877 1.7785 1.8273 1.8549 1.8766 1.8904 1.9295 1.9527 2.1593 2.1616 2.4047 2.4400 2.6895 2.7083 3.1642 3.1908 3.6378 3.6728 4.4160 4.4515 4.9382 5.0041 5.1807 5.2253 6.3297 6.3418 6.7562 6.7776 7.0930 7.1250 7.3975 7.4121 9.3383 9.3544 9.8982 9.9064 11.2759 11.3654 11.6589 11.7911 k = 0.4545 0.2624-0.0000 ( 4580 PWs) bands (ev): -5.0491 -5.0481 -4.8270 -4.8250 -4.6648 -4.6631 -0.2123 -0.2006 -0.0516 -0.0308 0.0060 0.0315 0.0800 0.1185 0.1584 0.1745 0.5121 0.5162 1.1570 1.2057 1.2501 1.2872 1.6403 1.6706 1.6961 1.7701 1.8314 1.8549 1.8768 1.8890 1.9333 1.9516 2.1612 2.1626 2.4391 2.4715 2.6802 2.7000 3.1524 3.1747 3.6076 3.6355 4.4235 4.4540 4.9269 4.9851 5.1709 5.2087 6.3587 6.3702 6.7535 6.7728 7.0712 7.1010 7.3766 7.3889 9.3286 9.3418 9.8823 9.8890 11.2848 11.3585 11.6561 11.7635 k = 0.4659 0.2690-0.0000 ( 4572 PWs) bands (ev): -5.0435 -5.0427 -4.8249 -4.8233 -4.6626 -4.6614 -0.2106 -0.2016 -0.0495 -0.0336 0.0111 0.0331 0.0805 0.1124 0.1605 0.1728 0.5189 0.5221 1.1599 1.1995 1.2489 1.2794 1.6425 1.6659 1.7050 1.7613 1.8355 1.8540 1.8775 1.8875 1.9367 1.9503 2.1625 2.1635 2.4706 2.4990 2.6723 2.6916 3.1441 3.1615 3.5813 3.6021 4.4327 4.4573 4.9196 4.9668 5.1644 5.1940 6.3847 6.3947 6.7522 6.7683 7.0531 7.0785 7.3606 7.3704 9.3212 9.3313 9.8697 9.8748 11.2940 11.3505 11.6572 11.7388 k = 0.4773 0.2756-0.0000 ( 4570 PWs) bands (ev): -5.0394 -5.0389 -4.8232 -4.8221 -4.6611 -4.6602 -0.2090 -0.2028 -0.0471 -0.0364 0.0163 0.0325 0.0832 0.1060 0.1627 0.1709 0.5239 0.5262 1.1641 1.1916 1.2508 1.2722 1.6452 1.6611 1.7143 1.7522 1.8394 1.8522 1.8788 1.8859 1.9397 1.9487 2.1635 2.1641 2.4975 2.5198 2.6666 2.6830 3.1391 3.1511 3.5613 3.5752 4.4421 4.4594 4.9167 4.9500 5.1613 5.1817 6.4060 6.4135 6.7522 6.7641 7.0403 7.0589 7.3497 7.3565 9.3162 9.3230 9.8608 9.8641 11.3034 11.3417 11.6621 11.7170 k = 0.4886 0.2821-0.0000 ( 4574 PWs) bands (ev): -5.0370 -5.0367 -4.8220 -4.8215 -4.6600 -4.6596 -0.2073 -0.2042 -0.0447 -0.0393 0.0213 0.0299 0.0876 0.0996 0.1648 0.1689 0.5272 0.5284 1.1695 1.1835 1.2547 1.2656 1.6485 1.6565 1.7238 1.7428 1.8431 1.8496 1.8805 1.8842 1.9424 1.9469 2.1641 2.1644 2.5182 2.5308 2.6648 2.6746 3.1375 3.1436 3.5497 3.5567 4.4503 4.4593 4.9185 4.9358 5.1616 5.1720 6.4206 6.4247 6.7538 6.7601 7.0342 7.0440 7.3438 7.3474 9.3139 9.3173 9.8556 9.8573 11.3131 11.3324 11.6707 11.6983 k = 0.5000 0.2887-0.0000 ( 4574 PWs) bands (ev): -5.0361 -5.0361 -4.8214 -4.8214 -4.6595 -4.6595 -0.2057 -0.2057 -0.0420 -0.0420 0.0260 0.0260 0.0933 0.0933 0.1669 0.1669 0.5287 0.5287 1.1760 1.1760 1.2597 1.2597 1.6523 1.6523 1.7333 1.7333 1.8465 1.8465 1.8823 1.8823 1.9448 1.9448 2.1644 2.1644 2.5301 2.5301 2.6678 2.6678 3.1390 3.1390 3.5480 3.5480 4.4563 4.4563 4.9250 4.9250 5.1652 5.1652 6.4271 6.4271 6.7566 6.7566 7.0354 7.0354 7.3431 7.3431 9.3143 9.3143 9.8544 9.8544 11.3228 11.3228 11.6828 11.6828 k = 0.5000 0.2887-0.0000 ( 4574 PWs) bands (ev): -5.0361 -5.0361 -4.8214 -4.8214 -4.6595 -4.6595 -0.2057 -0.2057 -0.0420 -0.0420 0.0260 0.0260 0.0933 0.0933 0.1669 0.1669 0.5287 0.5287 1.1760 1.1760 1.2597 1.2597 1.6523 1.6523 1.7333 1.7333 1.8465 1.8465 1.8823 1.8823 1.9448 1.9448 2.1644 2.1644 2.5301 2.5301 2.6678 2.6678 3.1390 3.1390 3.5480 3.5480 4.4563 4.4563 4.9250 4.9250 5.1652 5.1652 6.4271 6.4271 6.7566 6.7566 7.0354 7.0354 7.3431 7.3431 9.3143 9.3143 9.8544 9.8544 11.3228 11.3228 11.6828 11.6828 k = 0.4936 0.2998-0.0000 ( 4578 PWs) bands (ev): -5.0357 -5.0357 -4.8214 -4.8212 -4.6598 -4.6596 -0.2064 -0.2047 -0.0434 -0.0408 0.0247 0.0271 0.0899 0.0979 0.1669 0.1672 0.5283 0.5285 1.1759 1.1769 1.2591 1.2609 1.6498 1.6542 1.7329 1.7336 1.8407 1.8520 1.8824 1.8837 1.9425 1.9475 2.1635 2.1643 2.5282 2.5306 2.6669 2.6696 3.1391 3.1401 3.5496 3.5500 4.4454 4.4472 4.9268 4.9271 5.1669 5.1737 6.4171 6.4284 6.7337 6.7589 7.0291 7.0536 7.3411 7.3518 9.3176 9.3231 9.8526 9.8592 11.3158 11.3343 11.6758 11.6821 k = 0.4872 0.3109-0.0000 ( 4572 PWs) bands (ev): -5.0347 -5.0347 -4.8210 -4.8206 -4.6603 -4.6599 -0.2066 -0.2034 -0.0450 -0.0397 0.0232 0.0279 0.0879 0.1035 0.1673 0.1679 0.5272 0.5275 1.1764 1.1784 1.2592 1.2627 1.6468 1.6556 1.7327 1.7338 1.8351 1.8565 1.8835 1.8871 1.9407 1.9506 2.1616 2.1631 2.5250 2.5297 2.6672 2.6723 3.1402 3.1424 3.5548 3.5555 4.4162 4.4196 4.9319 4.9328 5.1781 5.1909 6.3990 6.4208 6.6957 6.7392 7.0364 7.0784 7.3460 7.3667 9.3329 9.3437 9.8536 9.8667 11.3135 11.3503 11.6615 11.6739 k = 0.4808 0.3220-0.0000 ( 4592 PWs) bands (ev): -5.0330 -5.0330 -4.8204 -4.8198 -4.6611 -4.6605 -0.2066 -0.2017 -0.0465 -0.0389 0.0214 0.0287 0.0873 0.1100 0.1680 0.1690 0.5254 0.5258 1.1776 1.1806 1.2599 1.2651 1.6434 1.6563 1.7325 1.7339 1.8301 1.8596 1.8853 1.8927 1.9395 1.9540 2.1586 2.1611 2.5206 2.5272 2.6686 2.6758 3.1425 3.1458 3.5635 3.5645 4.3722 4.3765 4.9394 4.9413 5.1959 5.2137 6.3739 6.4046 6.6474 6.7018 7.0536 7.1052 7.3583 7.3877 9.3591 9.3751 9.8569 9.8762 11.3157 11.3704 11.6410 11.6594 k = 0.4744 0.3331-0.0000 ( 4604 PWs) bands (ev): -5.0307 -5.0307 -4.8194 -4.8186 -4.6622 -4.6614 -0.2061 -0.1998 -0.0481 -0.0385 0.0194 0.0293 0.0881 0.1172 0.1691 0.1706 0.5230 0.5233 1.1794 1.1835 1.2612 1.2681 1.6394 1.6563 1.7327 1.7337 1.8259 1.8616 1.8876 1.9003 1.9389 1.9577 2.1547 2.1581 2.5151 2.5232 2.6714 2.6799 3.1458 3.1505 3.5756 3.5768 4.3173 4.3221 4.9485 4.9519 5.2166 5.2384 6.3436 6.3808 6.5920 6.6523 7.0757 7.1316 7.3783 7.4147 9.3950 9.4159 9.8616 9.8865 11.3219 11.3940 11.6165 11.6407 k = 0.4679 0.3442-0.0000 ( 4600 PWs) bands (ev): -5.0277 -5.0277 -4.8181 -4.8171 -4.6636 -4.6625 -0.2052 -0.1976 -0.0496 -0.0385 0.0174 0.0299 0.0902 0.1251 0.1705 0.1726 0.5198 0.5201 1.1819 1.1870 1.2633 1.2717 1.6350 1.6554 1.7332 1.7334 1.8228 1.8630 1.8902 1.9091 1.9391 1.9617 2.1499 2.1544 2.5085 2.5176 2.6755 2.6846 3.1501 3.1564 3.5911 3.5924 4.2548 4.2598 4.9589 4.9640 5.2366 5.2610 6.3096 6.3511 6.5317 6.5952 7.0991 7.1564 7.4062 7.4477 9.4385 9.4642 9.8665 9.8963 11.3313 11.4190 11.5912 11.6218 k = 0.4615 0.3553-0.0000 ( 4600 PWs) bands (ev): -5.0242 -5.0241 -4.8166 -4.8154 -4.6652 -4.6639 -0.2040 -0.1951 -0.0510 -0.0390 0.0156 0.0304 0.0935 0.1336 0.1722 0.1750 0.5161 0.5162 1.1848 1.1910 1.2660 1.2758 1.6300 1.6536 1.7331 1.7340 1.8207 1.8642 1.8928 1.9189 1.9401 1.9659 2.1444 2.1500 2.5008 2.5106 2.6809 2.6899 3.1554 3.1636 3.6099 3.6111 4.1876 4.1923 4.9701 4.9771 5.2524 5.2785 6.2738 6.3171 6.4683 6.5335 7.1220 7.1789 7.4421 7.4868 9.4873 9.5175 9.8705 9.9042 11.3411 11.4403 11.5701 11.6097 k = 0.4551 0.3664-0.0000 ( 4596 PWs) bands (ev): -5.0200 -5.0199 -4.8147 -4.8133 -4.6671 -4.6656 -0.2025 -0.1925 -0.0523 -0.0401 0.0140 0.0307 0.0979 0.1424 0.1744 0.1780 0.5116 0.5117 1.1883 1.1955 1.2694 1.2805 1.6246 1.6506 1.7330 1.7353 1.8196 1.8653 1.8953 1.9292 1.9422 1.9702 2.1383 2.1450 2.4920 2.5020 2.6876 2.6958 3.1615 3.1720 3.6317 3.6326 4.1178 4.1218 4.9817 4.9906 5.2615 5.2880 6.2380 6.2807 6.4036 6.4695 7.1435 7.1992 7.4857 7.5320 9.5388 9.5733 9.8723 9.9087 11.3471 11.4494 11.5605 11.6156 k = 0.4487 0.3775-0.0000 ( 4600 PWs) bands (ev): -5.0154 -5.0153 -4.8126 -4.8110 -4.6692 -4.6675 -0.2005 -0.1896 -0.0535 -0.0417 0.0127 0.0309 0.1033 0.1516 0.1768 0.1815 0.5062 0.5067 1.1921 1.2005 1.2735 1.2858 1.6187 1.6464 1.7332 1.7370 1.8194 1.8667 1.8976 1.9399 1.9455 1.9746 2.1319 2.1397 2.4820 2.4921 2.6957 2.7024 3.1684 3.1816 3.6564 3.6567 4.0469 4.0502 4.9932 5.0039 5.2617 5.2876 6.2030 6.2432 6.3400 6.4057 7.1630 7.2171 7.5368 7.5831 9.5901 9.6284 9.8708 9.9087 11.3455 11.4434 11.5690 11.6449 k = 0.4423 0.3886-0.0000 ( 4588 PWs) bands (ev): -5.0102 -5.0101 -4.8102 -4.8085 -4.6716 -4.6697 -0.1983 -0.1865 -0.0545 -0.0437 0.0118 0.0309 0.1097 0.1611 0.1797 0.1855 0.5000 0.5011 1.1963 1.2057 1.2782 1.2916 1.6122 1.6410 1.7340 1.7391 1.8200 1.8682 1.8998 1.9498 1.9506 1.9791 2.1252 2.1340 2.4708 2.4809 2.7050 2.7097 3.1760 3.1924 3.6827 3.6837 3.9766 3.9791 5.0036 5.0160 5.2520 5.2760 6.1684 6.2053 6.2810 6.3449 7.1804 7.2328 7.5949 7.6400 9.6380 9.6795 9.8652 9.9032 11.3377 11.4303 11.5970 11.6919 k = 0.4359 0.3997-0.0000 ( 4588 PWs) bands (ev): -5.0047 -5.0046 -4.8075 -4.8056 -4.6742 -4.6721 -0.1957 -0.1834 -0.0552 -0.0463 0.0112 0.0306 0.1168 0.1707 0.1828 0.1902 0.4932 0.4950 1.2008 1.2112 1.2836 1.2980 1.6052 1.6344 1.7354 1.7418 1.8210 1.8701 1.9018 1.9551 1.9610 1.9836 2.1188 2.1283 2.4584 2.4684 2.7157 2.7177 3.1841 3.2043 3.7094 3.7128 3.9084 3.9108 5.0121 5.0259 5.2316 5.2530 6.1313 6.1664 6.2318 6.2905 7.1959 7.2465 7.6593 7.7024 9.6793 9.7231 9.8548 9.8916 11.3301 11.4191 11.6409 11.7499 k = 0.4295 0.4108-0.0000 ( 4584 PWs) bands (ev): -4.9988 -4.9987 -4.8046 -4.8026 -4.6771 -4.6748 -0.1929 -0.1801 -0.0558 -0.0491 0.0108 0.0301 0.1248 0.1803 0.1864 0.1955 0.4855 0.4883 1.2056 1.2168 1.2896 1.3049 1.5977 1.6267 1.7375 1.7448 1.8225 1.8723 1.9037 1.9613 1.9705 1.9886 2.1128 2.1226 2.4447 2.4547 2.7265 2.7277 3.1925 3.2172 3.7315 3.7414 3.8458 3.8511 5.0174 5.0319 5.2011 5.2195 6.0887 6.1252 6.1973 6.2460 7.2094 7.2582 7.7294 7.7698 9.7108 9.7558 9.8394 9.8738 11.3294 11.4157 11.6962 11.8149 k = 0.4231 0.4219-0.0000 ( 4592 PWs) bands (ev): -4.9926 -4.9925 -4.8015 -4.7992 -4.6801 -4.6776 -0.1898 -0.1767 -0.0561 -0.0522 0.0106 0.0293 0.1334 0.1895 0.1903 0.2019 0.4772 0.4811 1.2105 1.2224 1.2963 1.3123 1.5896 1.6181 1.7404 1.7484 1.8241 1.8749 1.9059 1.9683 1.9778 1.9948 2.1077 2.1170 2.4296 2.4398 2.7362 2.7410 3.2008 3.2310 3.7256 3.7485 3.8102 3.8240 5.0177 5.0322 5.1616 5.1772 6.0433 6.0822 6.1760 6.2127 7.2212 7.2682 7.8044 7.8418 9.7301 9.7748 9.8192 9.8502 11.3404 11.4238 11.7594 11.8840 k = 0.4167 0.4330-0.0000 ( 4584 PWs) bands (ev): -4.9863 -4.9862 -4.7981 -4.7957 -4.6834 -4.6807 -0.1866 -0.1733 -0.0561 -0.0555 0.0105 0.0281 0.1426 0.1946 0.1979 0.2095 0.4681 0.4733 1.2155 1.2279 1.3034 1.3202 1.5809 1.6086 1.7439 1.7524 1.8256 1.8779 1.9083 1.9757 1.9819 2.0028 2.1040 2.1117 2.4133 2.4239 2.7468 2.7558 3.2087 3.2454 3.6797 3.7047 3.8320 3.8422 5.0109 5.0238 5.1153 5.1293 6.0007 6.0405 6.1635 6.1890 7.2312 7.2764 7.8837 7.9178 9.7353 9.7780 9.7944 9.8215 11.3657 11.4453 11.8278 11.9550 k = 0.4103 0.4441-0.0000 ( 4588 PWs) bands (ev): -4.9798 -4.9797 -4.7945 -4.7920 -4.6869 -4.6840 -0.1832 -0.1699 -0.0589 -0.0559 0.0104 0.0267 0.1524 0.1991 0.2055 0.2184 0.4584 0.4652 1.2206 1.2332 1.3112 1.3286 1.5716 1.5983 1.7480 1.7568 1.8270 1.8812 1.9112 1.9833 1.9835 2.0115 2.1021 2.1069 2.3957 2.4069 2.7583 2.7719 3.2154 3.2599 3.6241 3.6533 3.8688 3.8761 4.9936 5.0024 5.0661 5.0808 5.9650 6.0035 6.1562 6.1721 7.2397 7.2829 7.9665 7.9973 9.7260 9.7638 9.7656 9.7897 11.4060 11.4808 11.8990 12.0255 k = 0.4038 0.4552-0.0000 ( 4594 PWs) bands (ev): -4.9733 -4.9732 -4.7907 -4.7881 -4.6906 -4.6875 -0.1797 -0.1665 -0.0623 -0.0554 0.0103 0.0250 0.1626 0.2041 0.2125 0.2282 0.4479 0.4567 1.2257 1.2382 1.3193 1.3373 1.5617 1.5874 1.7528 1.7617 1.8280 1.8848 1.9145 1.9825 1.9914 2.0202 2.1026 2.1027 2.3769 2.3891 2.7707 2.7896 3.2201 3.2738 3.5699 3.6062 3.9094 3.9151 4.9598 4.9631 5.0205 5.0373 5.9386 5.9742 6.1518 6.1595 7.2466 7.2878 8.0521 8.0797 9.7035 9.7325 9.7328 9.7559 11.4604 11.5294 11.9709 12.0934 k = 0.3974 0.4663-0.0000 ( 4584 PWs) bands (ev): -4.9668 -4.9667 -4.7867 -4.7839 -4.6944 -4.6911 -0.1761 -0.1632 -0.0656 -0.0547 0.0101 0.0231 0.1732 0.2093 0.2193 0.2384 0.4369 0.4478 1.2308 1.2429 1.3280 1.3465 1.5512 1.5759 1.7581 1.7671 1.8286 1.8886 1.9183 1.9800 1.9993 2.0281 2.0993 2.1056 2.3572 2.3706 2.7840 2.8086 3.2219 3.2857 3.5209 3.5660 3.9525 3.9570 4.9086 4.9087 4.9810 4.9976 5.9226 5.9538 6.1490 6.1498 7.2522 7.2910 8.1399 8.1642 9.6714 9.6910 9.6940 9.7171 11.5266 11.5892 12.0415 12.1565 k = 0.3910 0.4774-0.0000 ( 4584 PWs) bands (ev): -4.9605 -4.9604 -4.7825 -4.7796 -4.6984 -4.6949 -0.1726 -0.1600 -0.0688 -0.0537 0.0099 0.0209 0.1840 0.2148 0.2259 0.2487 0.4252 0.4386 1.2357 1.2473 1.3370 1.3559 1.5401 1.5640 1.7638 1.7727 1.8288 1.8927 1.9225 1.9760 2.0069 2.0351 2.0968 2.1109 2.3366 2.3516 2.7982 2.8291 3.2196 3.2929 3.4802 3.5340 3.9973 4.0010 4.8474 4.8483 4.9412 4.9559 5.9167 5.9427 6.1416 6.1468 7.2564 7.2928 8.2292 8.2503 9.6326 9.6430 9.6499 9.6720 11.6016 11.6576 12.1089 12.2131 k = 0.3846 0.4885-0.0000 ( 4582 PWs) bands (ev): -4.9545 -4.9544 -4.7781 -4.7752 -4.7025 -4.6989 -0.1691 -0.1570 -0.0719 -0.0524 0.0095 0.0186 0.1950 0.2207 0.2324 0.2590 0.4130 0.4294 1.2405 1.2511 1.3464 1.3655 1.5285 1.5517 1.7699 1.7787 1.8285 1.8967 1.9270 1.9710 2.0141 2.0410 2.0955 2.1184 2.3156 2.3323 2.8130 2.8510 3.2128 3.2911 3.4521 3.5109 4.0437 4.0467 4.7841 4.7850 4.8974 4.9098 5.9200 5.9402 6.1341 6.1445 7.2593 7.2929 8.3194 8.3374 9.5879 9.5898 9.6027 9.6230 11.6822 11.7314 12.1717 12.2621 k = 0.3782 0.4996-0.0000 ( 4586 PWs) bands (ev): -4.9488 -4.9488 -4.7736 -4.7706 -4.7068 -4.7029 -0.1657 -0.1544 -0.0748 -0.0510 0.0091 0.0162 0.2058 0.2268 0.2387 0.2691 0.4002 0.4201 1.2451 1.2545 1.3561 1.3753 1.5165 1.5391 1.7762 1.7849 1.8277 1.9007 1.9317 1.9654 2.0208 2.0460 2.0952 2.1275 2.2945 2.3130 2.8282 2.8742 3.2014 3.2769 3.4399 3.4964 4.0914 4.0937 4.7215 4.7217 4.8495 4.8599 5.9307 5.9450 6.1268 6.1417 7.2610 7.2917 8.4097 8.4247 9.5321 9.5360 9.5568 9.5729 11.7650 11.8074 12.2288 12.3032 k = 0.3718 0.5107-0.0000 ( 4594 PWs) bands (ev): -4.9436 -4.9436 -4.7689 -4.7659 -4.7112 -4.7071 -0.1625 -0.1520 -0.0774 -0.0494 0.0086 0.0138 0.2164 0.2333 0.2447 0.2787 0.3871 0.4109 1.2494 1.2574 1.3661 1.3851 1.5042 1.5264 1.7827 1.7912 1.8265 1.9043 1.9363 1.9597 2.0267 2.0501 2.0962 2.1377 2.2739 2.2941 2.8436 2.8984 3.1867 3.2527 3.4409 3.4890 4.1402 4.1417 4.6604 4.6614 4.7988 4.8076 5.9472 5.9556 6.1193 6.1380 7.2618 7.2891 8.4993 8.5112 9.4715 9.4798 9.5126 9.5233 11.8464 11.8820 12.2794 12.3373 k = 0.3654 0.5218-0.0000 ( 4590 PWs) bands (ev): -4.9390 -4.9390 -4.7641 -4.7611 -4.7157 -4.7114 -0.1595 -0.1501 -0.0797 -0.0477 0.0081 0.0114 0.2263 0.2402 0.2501 0.2879 0.3737 0.4022 1.2533 1.2598 1.3763 1.3948 1.4917 1.5137 1.7890 1.7974 1.8250 1.9073 1.9406 1.9544 2.0321 2.0534 2.0980 2.1486 2.2544 2.2758 2.8586 2.9234 3.1703 3.2237 3.4492 3.4869 4.1897 4.1905 4.6023 4.6052 4.7469 4.7546 5.9675 5.9702 6.1111 6.1333 7.2618 7.2854 8.5871 8.5959 9.4102 9.4228 9.4695 9.4752 11.9226 11.9513 12.3237 12.3658 k = 0.3590 0.5329-0.0000 ( 4590 PWs) bands (ev): -4.9350 -4.9350 -4.7592 -4.7563 -4.7203 -4.7157 -0.1568 -0.1487 -0.0816 -0.0461 0.0075 0.0092 0.2352 0.2477 0.2549 0.2963 0.3602 0.3942 1.2568 1.2617 1.3868 1.4041 1.4794 1.5012 1.7951 1.8032 1.8232 1.9094 1.9442 1.9501 2.0370 2.0558 2.1003 2.1599 2.2367 2.2585 2.8728 2.9489 3.1539 3.1940 3.4603 3.4879 4.2396 4.2396 4.5489 4.5541 4.6958 4.7027 5.9872 5.9900 6.1020 6.1274 7.2613 7.2808 8.6714 8.6770 9.3512 9.3684 9.4280 9.4290 11.9898 12.0116 12.3620 12.3906 k = 0.3526 0.5440-0.0000 ( 4582 PWs) bands (ev): -4.9318 -4.9318 -4.7543 -4.7515 -4.7249 -4.7199 -0.1543 -0.1478 -0.0830 -0.0445 0.0069 0.0073 0.2431 0.2553 0.2587 0.3036 0.3470 0.3873 1.2598 1.2630 1.3975 1.4128 1.4675 1.4894 1.8006 1.8084 1.8213 1.9103 1.9468 1.9473 2.0418 2.0572 2.1024 2.1713 2.2217 2.2426 2.8852 2.9739 3.1392 3.1657 3.4715 3.4901 4.2881 4.2890 4.5013 4.5093 4.6476 4.6539 6.0050 6.0129 6.0921 6.1205 7.2607 7.2757 8.7491 8.7514 9.2983 9.3205 9.3856 9.3884 12.0442 12.0593 12.3945 12.4129 k = 0.3462 0.5551-0.0000 ( 4586 PWs) bands (ev): -4.9295 -4.9295 -4.7494 -4.7470 -4.7296 -4.7241 -0.1522 -0.1476 -0.0840 -0.0433 0.0059 0.0063 0.2500 0.2612 0.2622 0.3098 0.3346 0.3821 1.2621 1.2639 1.4081 1.4202 1.4563 1.4790 1.8053 1.8126 1.8193 1.9102 1.9461 1.9483 2.0465 2.0576 2.1036 2.1826 2.2103 2.2285 2.8951 2.9972 3.1273 3.1408 3.4812 3.4922 4.3345 4.3365 4.4605 4.4722 4.6052 4.6106 6.0219 6.0344 6.0812 6.1129 7.2603 7.2706 8.8140 8.8146 9.2574 9.2851 9.3457 9.3514 12.0834 12.0923 12.4206 12.4324 k = 0.3397 0.5662-0.0000 ( 4580 PWs) bands (ev): -4.9280 -4.9280 -4.7446 -4.7431 -4.7343 -4.7276 -0.1504 -0.1480 -0.0846 -0.0424 0.0052 0.0057 0.2561 0.2619 0.2670 0.3147 0.3244 0.3790 1.2636 1.2643 1.4182 1.4250 1.4468 1.4713 1.8088 1.8155 1.8175 1.9096 1.9464 1.9485 2.0510 2.0568 2.1038 2.1932 2.2032 2.2166 2.9014 3.0156 3.1193 3.1223 3.4884 3.4931 4.3751 4.3775 4.4276 4.4446 4.5735 4.5770 6.0364 6.0521 6.0699 6.1058 7.2608 7.2661 8.8567 8.8587 9.2369 9.2705 9.3116 9.3177 12.1067 12.1103 12.4381 12.4467 k = 0.3333 0.5774-0.0000 ( 4584 PWs) bands (ev): -4.9275 -4.9275 -4.7413 -4.7413 -4.7376 -4.7293 -0.1490 -0.1490 -0.0848 -0.0421 0.0052 0.0052 0.2606 0.2606 0.2681 0.3184 0.3184 0.3780 1.2642 1.2642 1.4251 1.4251 1.4418 1.4685 1.8101 1.8166 1.8166 1.9092 1.9476 1.9476 2.0546 2.0546 2.1035 2.2003 2.2003 2.2097 2.9036 3.0230 3.1158 3.1158 3.4921 3.4921 4.3978 4.3978 4.4071 4.4338 4.5617 4.5617 6.0438 6.0615 6.0615 6.1024 7.2626 7.2626 8.8724 8.8724 9.2364 9.2790 9.2930 9.2930 12.1149 12.1149 12.4443 12.4522 k = 0.3333 0.5774-0.0000 ( 4584 PWs) bands (ev): -4.9275 -4.9275 -4.7413 -4.7413 -4.7376 -4.7293 -0.1490 -0.1490 -0.0848 -0.0421 0.0052 0.0052 0.2606 0.2606 0.2681 0.3184 0.3184 0.3780 1.2642 1.2642 1.4251 1.4251 1.4418 1.4685 1.8101 1.8166 1.8166 1.9092 1.9476 1.9476 2.0546 2.0546 2.1035 2.2003 2.2003 2.2097 2.9036 3.0230 3.1158 3.1158 3.4921 3.4921 4.3978 4.3978 4.4071 4.4338 4.5617 4.5617 6.0438 6.0615 6.0615 6.1024 7.2626 7.2626 8.8724 8.8724 9.2364 9.2790 9.2930 9.2930 12.1149 12.1149 12.4443 12.4522 k = 0.3268 0.5660-0.0000 ( 4574 PWs) bands (ev): -4.9280 -4.9280 -4.7448 -4.7430 -4.7343 -4.7276 -0.1505 -0.1478 -0.0846 -0.0424 0.0048 0.0061 0.2570 0.2579 0.2701 0.3178 0.3214 0.3788 1.2639 1.2640 1.4201 1.4230 1.4475 1.4709 1.8090 1.8160 1.8166 1.9097 1.9457 1.9492 2.0510 2.0563 2.1044 2.1958 2.2008 2.2160 2.9014 3.0160 3.1165 3.1245 3.4890 3.4923 4.3832 4.3931 4.4117 4.4344 4.5759 4.5783 6.0357 6.0588 6.0633 6.1056 7.2610 7.2664 8.8577 8.8623 9.2250 9.2577 9.3201 9.3299 12.1079 12.1100 12.4377 12.4459 k = 0.3203 0.5547-0.0000 ( 4576 PWs) bands (ev): -4.9297 -4.9297 -4.7496 -4.7467 -4.7299 -4.7241 -0.1525 -0.1471 -0.0843 -0.0433 0.0045 0.0079 0.2477 0.2513 0.2746 0.3211 0.3239 0.3809 1.2627 1.2632 1.4122 1.4178 1.4579 1.4765 1.8067 1.8135 1.8161 1.9111 1.9433 1.9510 2.0461 2.0554 2.1080 2.1902 2.2037 2.2245 2.8953 3.0001 3.1211 3.1423 3.4838 3.4888 4.3712 4.3864 4.4094 4.4294 4.6141 4.6164 6.0209 6.0481 6.0659 6.1104 7.2618 7.2725 8.8258 8.8355 9.2030 9.2345 9.3814 9.3920 12.0911 12.0939 12.4185 12.4274 k = 0.3137 0.5434-0.0000 ( 4580 PWs) bands (ev): -4.9325 -4.9324 -4.7546 -4.7511 -4.7257 -4.7202 -0.1550 -0.1467 -0.0838 -0.0447 0.0043 0.0103 0.2348 0.2440 0.2791 0.3259 0.3261 0.3835 1.2605 1.2624 1.4035 1.4135 1.4692 1.4832 1.8037 1.8096 1.8145 1.9133 1.9407 1.9527 2.0401 2.0521 2.1143 2.1861 2.2077 2.2320 2.8861 2.9810 3.1283 3.1630 3.4771 3.4821 4.3629 4.3823 4.4110 4.4276 4.6628 4.6644 6.0044 6.0339 6.0640 6.1119 7.2656 7.2814 8.7868 8.8008 9.1821 9.2150 9.4559 9.4648 12.0657 12.0684 12.3894 12.3989 k = 0.3072 0.5321-0.0000 ( 4584 PWs) bands (ev): -4.9365 -4.9364 -4.7596 -4.7558 -4.7217 -4.7164 -0.1577 -0.1466 -0.0833 -0.0465 0.0043 0.0133 0.2208 0.2354 0.2833 0.3281 0.3309 0.3861 1.2576 1.2614 1.3948 1.4107 1.4808 1.4900 1.7996 1.8047 1.8121 1.9158 1.9383 1.9542 2.0332 2.0475 2.1225 2.1833 2.2120 2.2382 2.8748 2.9613 3.1375 3.1841 3.4694 3.4733 4.3586 4.3809 4.4213 4.4347 4.7158 4.7166 5.9868 6.0179 6.0569 6.1082 7.2728 7.2931 8.7461 8.7638 9.1645 9.1994 9.5359 9.5430 12.0327 12.0349 12.3535 12.3636 k = 0.3007 0.5207-0.0000 ( 4584 PWs) bands (ev): -4.9417 -4.9415 -4.7646 -4.7606 -4.7182 -4.7130 -0.1606 -0.1468 -0.0829 -0.0485 0.0044 0.0168 0.2066 0.2262 0.2871 0.3297 0.3354 0.3883 1.2541 1.2605 1.3865 1.4095 1.4922 1.4965 1.7940 1.7992 1.8095 1.9182 1.9364 1.9556 2.0257 2.0424 2.1318 2.1816 2.2159 2.2425 2.8622 2.9419 3.1480 3.2046 3.4616 3.4632 4.3600 4.3837 4.4401 4.4504 4.7706 4.7707 5.9684 6.0010 6.0448 6.0990 7.2833 7.3077 8.7064 8.7272 9.1508 9.1878 9.6179 9.6234 11.9926 11.9944 12.3137 12.3250 k = 0.2941 0.5094-0.0000 ( 4590 PWs) bands (ev): -4.9481 -4.9479 -4.7696 -4.7654 -4.7151 -4.7099 -0.1636 -0.1473 -0.0827 -0.0505 0.0046 0.0205 0.1924 0.2165 0.2903 0.3310 0.3393 0.3898 1.2505 1.2597 1.3789 1.4097 1.5024 1.5035 1.7868 1.7935 1.8074 1.9201 1.9348 1.9569 2.0179 2.0371 2.1417 2.1805 2.2188 2.2450 2.8491 2.9234 3.1595 3.2242 3.4528 3.4544 4.3684 4.3924 4.4656 4.4729 4.8258 4.8264 5.9496 5.9837 6.0282 6.0847 7.2970 7.3248 8.6693 8.6927 9.1410 9.1800 9.7003 9.7044 11.9460 11.9478 12.2727 12.2857 k = 0.2876 0.4981-0.0000 ( 4594 PWs) bands (ev): -4.9558 -4.9555 -4.7745 -4.7702 -4.7125 -4.7073 -0.1668 -0.1480 -0.0827 -0.0526 0.0049 0.0244 0.1787 0.2067 0.2930 0.3316 0.3422 0.3905 1.2469 1.2591 1.3721 1.4110 1.5074 1.5143 1.7782 1.7879 1.8058 1.9211 1.9334 1.9579 2.0100 2.0318 2.1516 2.1796 2.2204 2.2453 2.8361 2.9061 3.1723 3.2431 3.4431 3.4485 4.3841 4.4074 4.4964 4.5004 4.8813 4.8825 5.9304 5.9662 6.0082 6.0659 7.3134 7.3439 8.6356 8.6613 9.1350 9.1758 9.7817 9.7848 11.8938 11.8962 12.2325 12.2477 k = 0.2810 0.4868-0.0000 ( 4598 PWs) bands (ev): -4.9647 -4.9643 -4.7794 -4.7750 -4.7104 -4.7052 -0.1699 -0.1488 -0.0831 -0.0545 0.0053 0.0283 0.1655 0.1969 0.2950 0.3317 0.3441 0.3901 1.2437 1.2586 1.3661 1.4133 1.5113 1.5247 1.7688 1.7827 1.8046 1.9211 1.9322 1.9587 2.0022 2.0267 2.1613 2.1784 2.2203 2.2436 2.8238 2.8903 3.1864 3.2616 3.4348 3.4443 4.4069 4.4287 4.5312 4.5316 4.9368 4.9387 5.9106 5.9490 5.9864 6.0440 7.3320 7.3645 8.6057 8.6335 9.1327 9.1750 9.8611 9.8634 11.8373 11.8407 12.1943 12.2120 k = 0.2745 0.4755-0.0000 ( 4610 PWs) bands (ev): -4.9748 -4.9744 -4.7843 -4.7798 -4.7090 -4.7037 -0.1730 -0.1499 -0.0838 -0.0564 0.0057 0.0322 0.1531 0.1873 0.2964 0.3310 0.3449 0.3887 1.2410 1.2583 1.3611 1.4163 1.5139 1.5345 1.7591 1.7780 1.8038 1.9200 1.9308 1.9590 1.9948 2.0216 2.1704 2.1766 2.2186 2.2400 2.8126 2.8765 3.2024 3.2804 3.4284 3.4422 4.4361 4.4556 4.5653 4.5688 4.9920 4.9946 5.8900 5.9323 5.9648 6.0205 7.3520 7.3860 8.5800 8.6096 9.1338 9.1773 9.9376 9.9393 11.7781 11.7829 12.1591 12.1793 k = 0.2680 0.4641-0.0000 ( 4606 PWs) bands (ev): -4.9861 -4.9857 -4.7891 -4.7845 -4.7081 -4.7027 -0.1761 -0.1510 -0.0848 -0.0580 0.0061 0.0359 0.1415 0.1780 0.2971 0.3296 0.3446 0.3861 1.2389 1.2581 1.3571 1.4198 1.5150 1.5435 1.7497 1.7740 1.8033 1.9176 1.9291 1.9584 1.9883 2.0168 2.1736 2.1785 2.2154 2.2347 2.8032 2.8648 3.2203 3.2996 3.4245 3.4426 4.4707 4.4873 4.6005 4.6082 5.0468 5.0502 5.8682 5.9158 5.9456 5.9974 7.3726 7.4076 8.5585 8.5897 9.1381 9.1826 10.0100 10.0114 11.7181 11.7244 12.1274 12.1498 k = 0.2614 0.4528-0.0000 ( 4606 PWs) bands (ev): -4.9987 -4.9981 -4.7939 -4.7892 -4.7078 -4.7024 -0.1791 -0.1522 -0.0863 -0.0594 0.0064 0.0395 0.1310 0.1691 0.2971 0.3275 0.3432 0.3823 1.2375 1.2578 1.3543 1.4237 1.5144 1.5517 1.7410 1.7708 1.8031 1.9141 1.9269 1.9565 1.9830 2.0121 2.1690 2.1848 2.2113 2.2284 2.7959 2.8556 3.2405 3.3198 3.4232 3.4454 4.5097 4.5229 4.6363 4.6484 5.1009 5.1052 5.8452 5.8994 5.9308 5.9773 7.3932 7.4287 8.5415 8.5740 9.1455 9.1905 10.0768 10.0782 11.6595 11.6673 12.0996 12.1235 k = 0.2549 0.4415-0.0000 ( 4608 PWs) bands (ev): -5.0124 -5.0118 -4.7986 -4.7939 -4.7081 -4.7027 -0.1821 -0.1534 -0.0881 -0.0606 0.0065 0.0427 0.1215 0.1607 0.2965 0.3246 0.3407 0.3774 1.2368 1.2571 1.3529 1.4278 1.5120 1.5590 1.7334 1.7684 1.8029 1.9094 1.9242 1.9528 1.9792 2.0075 2.1624 2.1875 2.2080 2.2215 2.7911 2.8492 3.2629 3.3409 3.4247 3.4508 4.5517 4.5611 4.6718 4.6887 5.1541 5.1595 5.8221 5.8827 5.9215 5.9624 7.4130 7.4486 8.5288 8.5626 9.1556 9.2009 10.1363 10.1380 11.6046 11.6140 12.0757 12.1004 k = 0.2484 0.4302-0.0000 ( 4604 PWs) bands (ev): -5.0273 -5.0266 -4.8032 -4.7985 -4.7091 -4.7036 -0.1849 -0.1546 -0.0903 -0.0616 0.0064 0.0456 0.1134 0.1529 0.2952 0.3209 0.3372 0.3713 1.2369 1.2560 1.3529 1.4319 1.5077 1.5654 1.7271 1.7669 1.8029 1.9035 1.9210 1.9477 1.9768 2.0032 2.1535 2.1843 2.2081 2.2147 2.7893 2.8457 3.2873 3.3629 3.4292 3.4588 4.5956 4.6008 4.7065 4.7283 5.2064 5.2129 5.8006 5.8662 5.9180 5.9545 7.4315 7.4668 8.5204 8.5553 9.1683 9.2135 10.1863 10.1886 11.5560 11.5672 12.0558 12.0804 k = 0.2418 0.4189-0.0000 ( 4602 PWs) bands (ev): -5.0433 -5.0425 -4.8078 -4.8030 -4.7106 -4.7052 -0.1877 -0.1558 -0.0930 -0.0623 0.0058 0.0480 0.1064 0.1456 0.2932 0.3165 0.3327 0.3641 1.2376 1.2541 1.3544 1.4360 1.5018 1.5709 1.7223 1.7662 1.8029 1.8965 1.9171 1.9418 1.9751 1.9989 2.1423 2.1765 2.2081 2.2103 2.7905 2.8454 3.3135 3.3853 3.4370 3.4694 4.6399 4.6407 4.7397 4.7667 5.2575 5.2655 5.7829 5.8517 5.9204 5.9539 7.4481 7.4828 8.5164 8.5521 9.1834 9.2281 10.2244 10.2275 11.5167 11.5296 12.0401 12.0635 k = 0.2353 0.4075-0.0000 ( 4602 PWs) bands (ev): -5.0603 -5.0595 -4.8122 -4.8075 -4.7128 -4.7073 -0.1904 -0.1570 -0.0960 -0.0627 0.0049 0.0498 0.1009 0.1390 0.2905 0.3114 0.3274 0.3559 1.2389 1.2516 1.3572 1.4400 1.4944 1.5756 1.7190 1.7661 1.8029 1.8885 1.9129 1.9358 1.9736 1.9947 2.1294 2.1666 2.2018 2.2125 2.7951 2.8483 3.3410 3.4075 3.4483 3.4823 4.6797 4.6835 4.7713 4.8033 5.3074 5.3170 5.7708 5.8412 5.9288 5.9602 7.4623 7.4961 8.5166 8.5530 9.2006 9.2446 10.2481 10.2522 11.4895 11.5040 12.0284 12.0496 k = 0.2288 0.3962-0.0000 ( 4594 PWs) bands (ev): -5.0783 -5.0775 -4.8166 -4.8119 -4.7156 -4.7101 -0.1931 -0.1582 -0.0993 -0.0629 0.0036 0.0508 0.0966 0.1333 0.2872 0.3055 0.3212 0.3468 1.2406 1.2483 1.3610 1.4438 1.4859 1.5794 1.7171 1.7664 1.8027 1.8795 1.9083 1.9298 1.9720 1.9904 2.1153 2.1556 2.1957 2.2138 2.8030 2.8543 3.3694 3.4286 3.4635 3.4975 4.7168 4.7253 4.8012 4.8379 5.3561 5.3674 5.7661 5.8367 5.9430 5.9732 7.4738 7.5066 8.5208 8.5578 9.2198 9.2628 10.2555 10.2605 11.4765 11.4926 12.0205 12.0386 k = 0.2222 0.3849-0.0000 ( 4598 PWs) bands (ev): -5.0973 -5.0964 -4.8209 -4.8162 -4.7189 -4.7135 -0.1957 -0.1593 -0.1030 -0.0629 0.0018 0.0511 0.0936 0.1283 0.2833 0.2990 0.3144 0.3369 1.2427 1.2444 1.3653 1.4475 1.4770 1.5825 1.7165 1.7669 1.8023 1.8697 1.9035 1.9242 1.9702 1.9861 2.1005 2.1442 2.1896 2.2140 2.8142 2.8633 3.3980 3.4486 3.4819 3.5148 4.7512 4.7645 4.8294 4.8703 5.4037 5.4168 5.7699 5.8394 5.9631 5.9924 7.4824 7.5138 8.5291 8.5665 9.2409 9.2826 10.2456 10.2513 11.4788 11.4963 12.0163 12.0302 k = 0.2157 0.3736-0.0000 ( 4590 PWs) bands (ev): -5.1171 -5.1161 -4.8251 -4.8204 -4.7228 -4.7174 -0.1984 -0.1603 -0.1070 -0.0627 -0.0003 0.0504 0.0917 0.1242 0.2788 0.2917 0.3071 0.3264 1.2400 1.2448 1.3693 1.4510 1.4686 1.5850 1.7171 1.7672 1.8016 1.8595 1.8987 1.9189 1.9682 1.9815 2.0855 2.1327 2.1835 2.2131 2.8286 2.8753 3.4262 3.4681 3.5020 3.5340 4.7824 4.8009 4.8564 4.9005 5.4504 5.4651 5.7830 5.8504 5.9887 6.0174 7.4878 7.5177 8.5411 8.5788 9.2637 9.3040 10.2188 10.2251 11.4958 11.5147 12.0153 12.0243 k = 0.2092 0.3623-0.0000 ( 4594 PWs) bands (ev): -5.1376 -5.1366 -4.8293 -4.8246 -4.7273 -4.7218 -0.2010 -0.1614 -0.1112 -0.0624 -0.0027 0.0488 0.0908 0.1209 0.2736 0.2838 0.2994 0.3155 1.2352 1.2470 1.3720 1.4543 1.4617 1.5870 1.7185 1.7670 1.8006 1.8493 1.8941 1.9139 1.9658 1.9767 2.0708 2.1213 2.1772 2.2111 2.8459 2.8898 3.4534 3.4881 3.5223 3.5547 4.8109 4.8348 4.8826 4.9287 5.4967 5.5124 5.8053 5.8698 6.0193 6.0477 7.4900 7.5183 8.5567 8.5945 9.2881 9.3269 10.1768 10.1835 11.5255 11.5459 12.0170 12.0208 k = 0.2026 0.3509-0.0000 ( 4598 PWs) bands (ev): -5.1588 -5.1578 -4.8333 -4.8287 -4.7322 -4.7268 -0.2037 -0.1624 -0.1155 -0.0619 -0.0053 0.0463 0.0908 0.1184 0.2677 0.2751 0.2915 0.3045 1.2301 1.2491 1.3721 1.4574 1.4576 1.5885 1.7208 1.7659 1.7991 1.8396 1.8896 1.9092 1.9632 1.9716 2.0567 2.1102 2.1708 2.2081 2.8657 2.9068 3.4788 3.5089 3.5415 3.5770 4.8371 4.8667 4.9085 4.9555 5.5427 5.5587 5.8362 5.8974 6.0544 6.0826 7.4890 7.5155 8.5755 8.6133 9.3141 9.3514 10.1221 10.1290 11.5646 11.5870 12.0196 12.0210 k = 0.1961 0.3396-0.0000 ( 4604 PWs) bands (ev): -5.1807 -5.1796 -4.8373 -4.8327 -4.7375 -4.7322 -0.2065 -0.1633 -0.1200 -0.0615 -0.0081 0.0428 0.0914 0.1165 0.2611 0.2657 0.2837 0.2935 1.2249 1.2508 1.3688 1.4572 1.4601 1.5896 1.7238 1.7634 1.7972 1.8309 1.8854 1.9048 1.9604 1.9663 2.0433 2.0997 2.1642 2.2042 2.8879 2.9257 3.5015 3.5301 3.5597 3.6009 4.8622 4.8976 4.9349 4.9818 5.5887 5.6040 5.8748 5.9326 6.0933 6.1214 7.4849 7.5094 8.5971 8.6348 9.3417 9.3773 10.0574 10.0644 11.6094 11.6350 12.0210 12.0266 k = 0.1895 0.3283-0.0000 ( 4604 PWs) bands (ev): -5.2030 -5.2019 -4.8411 -4.8366 -4.7433 -4.7380 -0.2093 -0.1643 -0.1246 -0.0610 -0.0110 0.0387 0.0925 0.1151 0.2538 0.2557 0.2761 0.2830 1.2195 1.2522 1.3624 1.4604 1.4625 1.5905 1.7273 1.7593 1.7948 1.8235 1.8815 1.9006 1.9575 1.9607 2.0309 2.0897 2.1575 2.1995 2.9118 2.9461 3.5205 3.5488 3.5791 3.6268 4.8874 4.9287 4.9626 5.0085 5.6343 5.6482 5.9200 5.9743 6.1353 6.1634 7.4778 7.5003 8.6210 8.6585 9.3708 9.4048 9.9854 9.9924 11.6556 11.6864 12.0256 12.0334 k = 0.1830 0.3170-0.0000 ( 4604 PWs) bands (ev): -5.2257 -5.2246 -4.8449 -4.8404 -4.7494 -4.7442 -0.2123 -0.1652 -0.1291 -0.0606 -0.0140 0.0338 0.0941 0.1140 0.2450 0.2458 0.2688 0.2729 1.2139 1.2531 1.3536 1.4643 1.4661 1.5913 1.7312 1.7537 1.7921 1.8178 1.8778 1.8965 1.9544 1.9551 2.0195 2.0803 2.1506 2.1942 2.9371 2.9676 3.5350 3.5611 3.6034 3.6552 4.9136 4.9609 4.9925 5.0366 5.6794 5.6913 5.9706 6.0214 6.1796 6.2079 7.4679 7.4883 8.6462 8.6834 9.4013 9.4338 9.9087 9.9156 11.6985 11.7376 12.0344 12.0413 k = 0.1765 0.3057-0.0000 ( 4600 PWs) bands (ev): -5.2487 -5.2476 -4.8485 -4.8442 -4.7559 -4.7508 -0.2153 -0.1662 -0.1337 -0.0603 -0.0172 0.0284 0.0960 0.1129 0.2340 0.2374 0.2619 0.2634 1.2083 1.2535 1.3436 1.4653 1.4735 1.5921 1.7355 1.7468 1.7890 1.8134 1.8743 1.8926 1.9495 1.9512 2.0091 2.0716 2.1437 2.1883 2.9632 2.9897 3.5443 3.5663 3.6335 3.6864 4.9418 4.9951 5.0254 5.0671 5.7236 5.7330 6.0255 6.0728 6.2256 6.2541 7.4556 7.4738 8.6715 8.7083 9.4332 9.4644 9.8298 9.8366 11.7337 11.7844 12.0484 12.0507 k = 0.1699 0.2943-0.0000 ( 4592 PWs) bands (ev): -5.2719 -5.2708 -4.8521 -4.8478 -4.7627 -4.7577 -0.2184 -0.1671 -0.1381 -0.0603 -0.0204 0.0225 0.0981 0.1118 0.2230 0.2286 0.2545 0.2552 1.2026 1.2534 1.3331 1.4651 1.4817 1.5931 1.7392 1.7401 1.7858 1.8101 1.8706 1.8888 1.9441 1.9480 1.9999 2.0635 2.1367 2.1818 2.9896 3.0118 3.5484 3.5657 3.6682 3.7208 4.9725 5.0316 5.0623 5.1009 5.7667 5.7733 6.0835 6.1273 6.2726 6.3014 7.4410 7.4570 8.6952 8.7314 9.4665 9.4964 9.7516 9.7583 11.7575 11.8225 12.0624 12.0674 k = 0.1634 0.2830-0.0000 ( 4592 PWs) bands (ev): -5.2952 -5.2941 -4.8556 -4.8513 -4.7697 -4.7648 -0.2216 -0.1680 -0.1424 -0.0606 -0.0237 0.0162 0.1004 0.1104 0.2123 0.2197 0.2461 0.2488 1.1967 1.2527 1.3226 1.4634 1.4902 1.5946 1.7315 1.7447 1.7826 1.8073 1.8668 1.8851 1.9391 1.9447 1.9917 2.0560 2.1296 2.1750 3.0157 3.0335 3.5474 3.5602 3.7073 3.7587 5.0061 5.0707 5.1034 5.1388 5.8084 5.8121 6.1437 6.1837 6.3200 6.3492 7.4247 7.4383 8.7145 8.7500 9.5008 9.5297 9.6774 9.6843 11.7689 11.8480 12.0767 12.0886 k = 0.1569 0.2717-0.0000 ( 4588 PWs) bands (ev): -5.3184 -5.3174 -4.8589 -4.8548 -4.7769 -4.7722 -0.2248 -0.1690 -0.1466 -0.0614 -0.0272 0.0095 0.1028 0.1087 0.2023 0.2108 0.2381 0.2427 1.1908 1.2515 1.3125 1.4601 1.4987 1.5966 1.7242 1.7492 1.7797 1.8048 1.8626 1.8816 1.9346 1.9415 1.9846 2.0490 2.1225 2.1677 3.0409 3.0542 3.5417 3.5505 3.7507 3.8003 5.0428 5.1121 5.1492 5.1813 5.8487 5.8496 6.2051 6.2411 6.3673 6.3969 7.4070 7.4181 8.7260 8.7605 9.5350 9.5620 9.6123 9.6207 11.7691 11.8594 12.0917 12.1070 k = 0.1503 0.2604-0.0000 ( 4602 PWs) bands (ev): -5.3416 -5.3406 -4.8622 -4.8582 -4.7843 -4.7797 -0.2280 -0.1700 -0.1505 -0.0626 -0.0309 0.0025 0.1052 0.1067 0.1932 0.2022 0.2307 0.2367 1.1847 1.2498 1.3029 1.4549 1.5070 1.5993 1.7176 1.7530 1.7776 1.8023 1.8580 1.8782 1.9308 1.9382 1.9786 2.0425 2.1154 2.1602 3.0648 3.0735 3.5318 3.5371 3.7987 3.8459 5.0827 5.1557 5.1995 5.2285 5.8858 5.8878 6.2666 6.2984 6.4141 6.4442 7.3883 7.3969 8.7251 8.7582 9.5466 9.5561 9.5832 9.6094 11.7603 11.8580 12.1028 12.1172 k = 0.1438 0.2491-0.0000 ( 4610 PWs) bands (ev): -5.3645 -5.3635 -4.8654 -4.8614 -4.7918 -4.7874 -0.2313 -0.1709 -0.1542 -0.0645 -0.0347 -0.0047 0.1042 0.1077 0.1852 0.1939 0.2238 0.2310 1.1785 1.2477 1.2940 1.4479 1.5148 1.6026 1.7118 1.7553 1.7772 1.7998 1.8529 1.8750 1.9277 1.9348 1.9734 2.0365 2.1082 2.1523 3.0869 3.0912 3.5185 3.5206 3.8515 3.8958 5.1258 5.2014 5.2539 5.2799 5.9210 5.9258 6.3275 6.3549 6.4600 6.4906 7.3691 7.3751 8.7073 8.7386 9.5148 9.5226 9.6151 9.6441 11.7448 11.8469 12.1047 12.1153 k = 0.1373 0.2377-0.0000 ( 4606 PWs) bands (ev): -5.3871 -5.3862 -4.8684 -4.8646 -4.7994 -4.7951 -0.2345 -0.1719 -0.1576 -0.0671 -0.0387 -0.0120 0.1013 0.1101 0.1783 0.1859 0.2174 0.2254 1.1723 1.2452 1.2859 1.4392 1.5222 1.6064 1.7071 1.7555 1.7791 1.7970 1.8474 1.8721 1.9254 1.9315 1.9692 2.0309 2.1011 2.1443 3.1068 3.1069 3.5017 3.5024 3.9092 3.9502 5.1721 5.2493 5.3116 5.3350 5.9553 5.9631 6.3870 6.4096 6.5047 6.5358 7.3500 7.3532 8.6695 8.6988 9.4978 9.5064 9.6523 9.6822 11.7246 11.8289 12.0944 12.1002 k = 0.1307 0.2264-0.0000 ( 4602 PWs) bands (ev): -5.4094 -5.4084 -4.8714 -4.8677 -4.8069 -4.8028 -0.2377 -0.1729 -0.1607 -0.0705 -0.0430 -0.0194 0.0982 0.1124 0.1725 0.1785 0.2114 0.2200 1.1660 1.2424 1.2786 1.4288 1.5290 1.6102 1.7034 1.7539 1.7828 1.7941 1.8417 1.8694 1.9236 1.9283 1.9657 2.0257 2.0941 2.1360 3.1206 3.1243 3.4811 3.4841 3.9718 4.0095 5.2213 5.2993 5.3719 5.3926 5.9890 5.9998 6.4445 6.4622 6.5480 6.5795 7.3314 7.3317 8.6116 8.6389 9.4997 9.5091 9.6897 9.7209 11.7013 11.8067 12.0717 12.0733 k = 0.1242 0.2151-0.0000 ( 4606 PWs) bands (ev): -5.4311 -5.4302 -4.8742 -4.8706 -4.8145 -4.8106 -0.2407 -0.1739 -0.1635 -0.0748 -0.0475 -0.0267 0.0950 0.1147 0.1678 0.1717 0.2060 0.2148 1.1598 1.2394 1.2720 1.4172 1.5353 1.6139 1.7010 1.7514 1.7872 1.7909 1.8360 1.8670 1.9223 1.9251 1.9629 2.0208 2.0872 2.1276 3.1323 3.1392 3.4591 3.4642 4.0393 4.0736 5.2734 5.3514 5.4336 5.4515 6.0226 6.0366 6.4992 6.5119 6.5899 6.6213 7.3112 7.3138 8.5364 8.5619 9.5177 9.5274 9.7262 9.7594 11.6765 11.7822 12.0375 12.0387 k = 0.1176 0.2038-0.0000 ( 4606 PWs) bands (ev): -5.4522 -5.4514 -4.8769 -4.8735 -4.8219 -4.8182 -0.2436 -0.1748 -0.1659 -0.0801 -0.0522 -0.0338 0.0918 0.1168 0.1639 0.1654 0.2012 0.2098 1.1538 1.2362 1.2660 1.4045 1.5411 1.6172 1.6998 1.7485 1.7876 1.7916 1.8308 1.8648 1.9215 1.9222 1.9607 2.0163 2.0804 2.1191 3.1420 3.1515 3.4364 3.4432 4.1115 4.1426 5.3279 5.4054 5.4957 5.5104 6.0567 6.0738 6.5508 6.5587 6.6301 6.6611 7.2921 7.2979 8.4474 8.4716 9.5472 9.5568 9.7610 9.7965 11.6519 11.7573 11.9964 11.9991 k = 0.1111 0.1925-0.0000 ( 4604 PWs) bands (ev): -5.4727 -5.4719 -4.8796 -4.8762 -4.8293 -4.8258 -0.2462 -0.1758 -0.1680 -0.0863 -0.0571 -0.0405 0.0887 0.1186 0.1598 0.1608 0.1968 0.2051 1.1480 1.2328 1.2606 1.3910 1.5463 1.6197 1.6998 1.7456 1.7842 1.7950 1.8269 1.8628 1.9196 1.9209 1.9589 2.0122 2.0737 2.1105 3.1499 3.1614 3.4135 3.4218 4.1884 4.2164 5.3844 5.4610 5.5567 5.5682 6.0917 6.1121 6.5988 6.6021 6.6685 6.6986 7.2751 7.2840 8.3483 8.3715 9.5841 9.5930 9.7929 9.8312 11.6290 11.7339 11.9533 11.9566 k = 0.1046 0.1811-0.0000 ( 4616 PWs) bands (ev): -5.4924 -5.4916 -4.8821 -4.8788 -4.8364 -4.8332 -0.2486 -0.1768 -0.1697 -0.0933 -0.0621 -0.0468 0.0860 0.1202 0.1548 0.1582 0.1928 0.2005 1.1425 1.2293 1.2558 1.3768 1.5510 1.6214 1.7010 1.7428 1.7808 1.7961 1.8254 1.8609 1.9173 1.9204 1.9576 2.0084 2.0672 2.1019 3.1561 3.1689 3.3906 3.4003 4.2696 4.2948 5.4424 5.5177 5.6154 5.6234 6.1282 6.1519 6.6423 6.6431 6.7051 6.7335 7.2607 7.2727 8.2416 8.2643 9.6243 9.6322 9.8208 9.8622 11.6095 11.7133 11.9115 11.9151 k = 0.0980 0.1698-0.0000 ( 4621 PWs) bands (ev): -5.5114 -5.5106 -4.8844 -4.8813 -4.8434 -4.8404 -0.2508 -0.1778 -0.1709 -0.1009 -0.0673 -0.0529 0.0836 0.1213 0.1507 0.1561 0.1894 0.1962 1.1375 1.2258 1.2513 1.3622 1.5553 1.6223 1.7032 1.7401 1.7774 1.7944 1.8268 1.8592 1.9154 1.9201 1.9567 2.0050 2.0609 2.0933 3.1608 3.1743 3.3682 3.3790 4.3550 4.3777 5.5014 5.5751 5.6705 5.6748 6.1669 6.1936 6.6792 6.6836 6.7399 6.7659 7.2494 7.2642 8.1296 8.1520 9.6647 9.6713 9.8436 9.8882 11.5951 11.6971 11.8738 11.8781 k = 0.0915 0.1585-0.0000 ( 4617 PWs) bands (ev): -5.5294 -5.5287 -4.8867 -4.8837 -4.8501 -4.8473 -0.2525 -0.1789 -0.1718 -0.1089 -0.0726 -0.0586 0.0815 0.1219 0.1475 0.1544 0.1863 0.1922 1.1330 1.2223 1.2471 1.3473 1.5592 1.6223 1.7061 1.7376 1.7741 1.7907 1.8303 1.8576 1.9140 1.9198 1.9560 2.0018 2.0549 2.0847 3.1643 3.1778 3.3466 3.3585 4.4442 4.4647 5.5607 5.6327 5.7206 5.7216 6.2081 6.2372 6.7129 6.7204 6.7728 6.7958 7.2415 7.2589 8.0138 8.0361 9.7023 9.7074 9.8602 9.9079 11.5872 11.6862 11.8430 11.8488 k = 0.0850 0.1472-0.0000 ( 4607 PWs) bands (ev): -5.5464 -5.5458 -4.8888 -4.8860 -4.8565 -4.8540 -0.2539 -0.1800 -0.1723 -0.1172 -0.0779 -0.0641 0.0799 0.1217 0.1452 0.1530 0.1835 0.1884 1.1291 1.2189 1.2432 1.3322 1.5627 1.6217 1.7095 1.7354 1.7708 1.7861 1.8349 1.8562 1.9130 1.9195 1.9557 1.9990 2.0491 2.0763 3.1665 3.1796 3.3260 3.3388 4.5370 4.5556 5.6195 5.6896 5.7631 5.7652 6.2515 6.2825 6.7438 6.7538 6.8038 6.8235 7.2372 7.2568 7.8953 7.9179 9.7350 9.7384 9.8698 9.9201 11.5874 11.6816 11.8211 11.8300 k = 0.0784 0.1358-0.0000 ( 4609 PWs) bands (ev): -5.5625 -5.5618 -4.8908 -4.8881 -4.8626 -4.8603 -0.2550 -0.1812 -0.1724 -0.1253 -0.0833 -0.0695 0.0786 0.1207 0.1440 0.1519 0.1811 0.1848 1.1259 1.2154 1.2396 1.3173 1.5660 1.6205 1.7130 1.7334 1.7678 1.7812 1.8398 1.8550 1.9124 1.9191 1.9556 1.9966 2.0436 2.0679 3.1678 3.1799 3.3067 3.3203 4.6330 4.6501 5.6770 5.7452 5.7991 5.8040 6.2965 6.3285 6.7722 6.7842 6.8333 6.8494 7.2366 7.2577 7.7752 7.7982 9.7606 9.7626 9.8719 9.9241 11.5964 11.6838 11.8100 11.8235 k = 0.0719 0.1245-0.0000 ( 4609 PWs) bands (ev): -5.5774 -5.5769 -4.8927 -4.8901 -4.8683 -4.8663 -0.2555 -0.1826 -0.1721 -0.1330 -0.0885 -0.0748 0.0778 0.1190 0.1436 0.1510 0.1790 0.1815 1.1234 1.2121 1.2361 1.3024 1.5689 1.6190 1.7164 1.7317 1.7650 1.7764 1.8448 1.8541 1.9121 1.9187 1.9558 1.9944 2.0384 2.0598 3.1682 3.1789 3.2889 3.3032 4.7319 4.7477 5.7319 5.7982 5.8302 5.8374 6.3419 6.3740 6.7988 6.8124 6.8614 6.8739 7.2394 7.2612 7.6544 7.6780 9.7780 9.7788 9.8666 9.9196 11.6147 11.6937 11.8105 11.8301 k = 0.0654 0.1132-0.0000 ( 4591 PWs) bands (ev): -5.5913 -5.5907 -4.8945 -4.8920 -4.8735 -4.8718 -0.2557 -0.1844 -0.1714 -0.1402 -0.0937 -0.0799 0.0774 0.1168 0.1438 0.1503 0.1770 0.1785 1.1217 1.2088 1.2327 1.2879 1.5717 1.6172 1.7195 1.7302 1.7624 1.7719 1.8496 1.8536 1.9122 1.9182 1.9563 1.9925 2.0334 2.0519 3.1678 3.1769 3.2727 3.2877 4.8333 4.8482 5.7827 5.8444 5.8600 5.8665 6.3859 6.4173 6.8242 6.8393 6.8883 6.8974 7.2447 7.2670 7.5342 7.5583 9.7865 9.7866 9.8547 9.9071 11.6425 11.7120 11.8228 11.8489 k = 0.0588 0.1019-0.0000 ( 4595 PWs) bands (ev): -5.6039 -5.6034 -4.8961 -4.8937 -4.8784 -4.8769 -0.2553 -0.1868 -0.1704 -0.1464 -0.0987 -0.0850 0.0773 0.1143 0.1444 0.1497 0.1753 0.1758 1.1209 1.2056 1.2296 1.2739 1.5743 1.6152 1.7222 1.7290 1.7601 1.7677 1.8534 1.8540 1.9125 1.9177 1.9570 1.9908 2.0288 2.0443 3.1667 3.1739 3.2584 3.2737 4.9368 4.9510 5.8271 5.8717 5.8934 5.9005 6.4267 6.4568 6.8492 6.8658 6.9140 6.9198 7.2507 7.2744 7.4167 7.4404 9.7860 9.7863 9.8372 9.8874 11.6790 11.7390 11.8461 11.8781 k = 0.0523 0.0906-0.0000 ( 4595 PWs) bands (ev): -5.6153 -5.6149 -4.8976 -4.8953 -4.8827 -4.8816 -0.2545 -0.1899 -0.1691 -0.1515 -0.1035 -0.0900 0.0775 0.1116 0.1451 0.1493 0.1734 0.1737 1.1210 1.2023 1.2265 1.2606 1.5768 1.6131 1.7243 1.7280 1.7581 1.7639 1.8537 1.8580 1.9129 1.9172 1.9581 1.9894 2.0246 2.0371 3.1649 3.1703 3.2462 3.2615 5.0420 5.0558 5.8616 5.8894 5.9210 5.9417 6.4627 6.4913 6.8739 6.8926 6.9382 6.9410 7.2445 7.2816 7.3155 7.3273 9.7772 9.7789 9.8160 9.8619 11.7233 11.7745 11.8784 11.9151 k = 0.0458 0.0792-0.0000 ( 4597 PWs) bands (ev): -5.6255 -5.6252 -4.8990 -4.8969 -4.8865 -4.8857 -0.2532 -0.1938 -0.1676 -0.1552 -0.1079 -0.0949 0.0782 0.1088 0.1460 0.1490 0.1713 0.1723 1.1219 1.1989 1.2237 1.2483 1.5791 1.6108 1.7259 1.7273 1.7563 1.7606 1.8544 1.8614 1.9135 1.9167 1.9594 1.9880 2.0206 2.0303 3.1625 3.1662 3.2360 3.2509 5.1481 5.1619 5.8850 5.9031 5.9502 5.9775 6.4929 6.5198 6.8967 6.9197 6.9604 6.9606 7.1659 7.2149 7.2916 7.2951 9.7615 9.7658 9.7930 9.8325 11.7739 11.8171 11.9174 11.9571 k = 0.0392 0.0679-0.0000 ( 4599 PWs) bands (ev): -5.6344 -5.6341 -4.9003 -4.8983 -4.8897 -4.8892 -0.2514 -0.1985 -0.1659 -0.1577 -0.1119 -0.0996 0.0791 0.1060 0.1468 0.1489 0.1696 0.1710 1.1238 1.1950 1.2210 1.2373 1.5814 1.6085 1.7268 1.7269 1.7549 1.7578 1.8555 1.8641 1.9141 1.9164 1.9610 1.9868 2.0171 2.0240 3.1596 3.1620 3.2279 3.2419 5.2544 5.2685 5.8999 5.9137 5.9774 6.0060 6.5169 6.5423 6.9122 6.9465 6.9770 6.9781 7.0644 7.1203 7.2999 7.3048 9.7408 9.7491 9.7699 9.8010 11.8289 11.8650 11.9600 12.0009 k = 0.0327 0.0566-0.0000 ( 4589 PWs) bands (ev): -5.6420 -5.6417 -4.9015 -4.8997 -4.8924 -4.8921 -0.2491 -0.2038 -0.1642 -0.1591 -0.1155 -0.1042 0.0803 0.1032 0.1475 0.1488 0.1681 0.1698 1.1266 1.1902 1.2186 1.2281 1.5836 1.6062 1.7265 1.7274 1.7536 1.7554 1.8569 1.8661 1.9147 1.9161 1.9628 1.9856 2.0139 2.0185 3.1565 3.1578 3.2218 3.2344 5.3600 5.3748 5.9092 5.9219 5.9984 6.0254 6.5348 6.5592 6.9018 6.9414 6.9728 6.9932 7.0159 7.0573 7.3115 7.3151 9.7183 9.7305 9.7474 9.7695 11.8862 11.9155 12.0029 12.0430 k = 0.0261 0.0453-0.0000 ( 4597 PWs) bands (ev): -5.6482 -5.6480 -4.9025 -4.9010 -4.8945 -4.8943 -0.2463 -0.2093 -0.1625 -0.1596 -0.1183 -0.1084 0.0818 0.1004 0.1481 0.1488 0.1670 0.1688 1.1304 1.1843 1.2165 1.2212 1.5859 1.6039 1.7263 1.7276 1.7526 1.7536 1.8586 1.8674 1.9152 1.9160 1.9650 1.9842 2.0111 2.0137 3.1534 3.1540 3.2176 3.2283 5.4635 5.4794 5.9144 5.9277 6.0101 6.0337 6.5472 6.5709 6.8508 6.8549 6.9951 7.0083 7.0266 7.0406 7.3232 7.3251 9.6969 9.7119 9.7266 9.7401 11.9429 11.9656 12.0427 12.0801 k = 0.0196 0.0340-0.0000 ( 4605 PWs) bands (ev): -5.6530 -5.6529 -4.9034 -4.9022 -4.8960 -4.8960 -0.2430 -0.2149 -0.1610 -0.1597 -0.1204 -0.1123 0.0836 0.0977 0.1486 0.1489 0.1663 0.1678 1.1350 1.1772 1.2147 1.2166 1.5881 1.6016 1.7263 1.7276 1.7518 1.7522 1.8605 1.8679 1.9157 1.9160 1.9673 1.9825 2.0088 2.0100 3.1506 3.1508 3.2150 3.2233 5.5627 5.5800 5.9154 5.9311 6.0106 6.0289 6.5549 6.5776 6.7777 6.7873 7.0140 7.0230 7.0395 7.0442 7.3335 7.3342 9.6790 9.6945 9.7085 9.7149 11.9961 12.0118 12.0761 12.1088 k = 0.0131 0.0226-0.0000 ( 4613 PWs) bands (ev): -5.6565 -5.6564 -4.9041 -4.9032 -4.8970 -4.8970 -0.2393 -0.2204 -0.1599 -0.1595 -0.1215 -0.1158 0.0855 0.0950 0.1489 0.1490 0.1659 0.1671 1.1406 1.1695 1.2133 1.2138 1.5903 1.5993 1.7264 1.7274 1.7511 1.7513 1.8624 1.8678 1.9160 1.9161 1.9699 1.9805 2.0070 2.0074 3.1484 3.1484 3.2137 3.2193 5.6541 5.6728 5.9109 5.9306 6.0007 6.0113 6.5590 6.5788 6.7206 6.7341 7.0282 7.0344 7.0498 7.0510 7.3416 7.3416 9.6663 9.6793 9.6944 9.6964 12.0423 12.0507 12.1005 12.1263 k = 0.0065 0.0113-0.0000 ( 4623 PWs) bands (ev): -5.6586 -5.6585 -4.9044 -4.9040 -4.8976 -4.8976 -0.2351 -0.2256 -0.1592 -0.1592 -0.1216 -0.1186 0.0877 0.0925 0.1490 0.1490 0.1658 0.1664 1.1469 1.1616 1.2123 1.2124 1.5925 1.5970 1.7266 1.7271 1.7507 1.7507 1.8642 1.8670 1.9162 1.9162 1.9726 1.9781 2.0059 2.0059 3.1469 3.1469 3.2136 3.2164 5.7311 5.7480 5.8996 5.9202 5.9869 5.9892 6.5620 6.5740 6.6894 6.6989 7.0375 7.0407 7.0563 7.0564 7.3465 7.3467 9.6599 9.6672 9.6854 9.6856 12.0763 12.0783 12.1153 12.1310 k = 0.0000 0.0000 0.0000 ( 4615 PWs) bands (ev): -5.6593 -5.6593 -4.9044 -4.9044 -4.8978 -4.8978 -0.2306 -0.2306 -0.1590 -0.1590 -0.1206 -0.1206 0.0900 0.0900 0.1491 0.1491 0.1660 0.1660 1.1540 1.1540 1.2120 1.2120 1.5947 1.5947 1.7268 1.7268 1.7506 1.7506 1.8658 1.8658 1.9163 1.9163 1.9754 1.9754 2.0054 2.0054 3.1464 3.1464 3.2145 3.2145 5.7745 5.7745 5.8989 5.8989 5.9802 5.9802 6.5669 6.5669 6.6835 6.6835 7.0417 7.0417 7.0585 7.0585 7.3483 7.3483 9.6603 9.6603 9.6822 9.6822 12.0894 12.0894 12.1250 12.1250 k = 0.0000 0.0000 0.0000 ( 4615 PWs) bands (ev): -5.6593 -5.6593 -4.9044 -4.9044 -4.8978 -4.8978 -0.2306 -0.2306 -0.1590 -0.1590 -0.1206 -0.1206 0.0900 0.0900 0.1491 0.1491 0.1660 0.1660 1.1540 1.1540 1.2120 1.2120 1.5947 1.5947 1.7268 1.7268 1.7506 1.7506 1.8658 1.8658 1.9163 1.9163 1.9754 1.9754 2.0054 2.0054 3.1464 3.1464 3.2145 3.2145 5.7745 5.7745 5.8989 5.8989 5.9802 5.9802 6.5669 6.5669 6.6835 6.6835 7.0417 7.0417 7.0585 7.0585 7.3483 7.3483 9.6603 9.6603 9.6822 9.6822 12.0894 12.0894 12.1250 12.1250 k = 0.0000 0.0000 0.0128 ( 4627 PWs) bands (ev): -5.6586 -5.6583 -4.9370 -4.9304 -4.8724 -4.8659 -0.2324 -0.2290 -0.1692 -0.1489 -0.1279 -0.1130 0.0850 0.0949 0.1458 0.1520 0.1654 0.1665 1.1276 1.1806 1.1846 1.2394 1.5946 1.5948 1.7235 1.7302 1.7406 1.7606 1.8651 1.8656 1.9112 1.9212 1.9701 1.9809 2.0028 2.0082 3.1072 3.1748 3.1895 3.2575 5.7604 5.7674 5.8925 5.9066 5.9756 5.9853 6.5102 6.5853 6.6747 6.7485 7.0230 7.0353 7.0610 7.0818 7.3427 7.3541 9.5948 9.6104 9.7244 9.7529 11.9999 12.0434 12.1804 12.2083 k = 0.0000 0.0000 0.0257 ( 4615 PWs) bands (ev): -5.6563 -5.6557 -4.9701 -4.9634 -4.8411 -4.8348 -0.2346 -0.2276 -0.1795 -0.1390 -0.1351 -0.1053 0.0799 0.0996 0.1423 0.1547 0.1648 0.1671 1.1017 1.1574 1.2072 1.2666 1.5942 1.5947 1.7202 1.7306 1.7337 1.7706 1.8635 1.8643 1.9061 1.9260 1.9651 1.9865 2.0002 2.0112 3.0716 3.1382 3.2364 3.3039 5.7262 5.7399 5.8882 5.9150 5.9715 5.9910 6.4594 6.5424 6.7432 6.8258 7.0055 7.0124 7.0807 7.1050 7.3374 7.3601 9.5279 9.5373 9.7873 9.8223 11.9121 11.9634 12.2726 12.2930 k = 0.0000 0.0000 0.0385 ( 4609 PWs) bands (ev): -5.6523 -5.6515 -5.0035 -4.9968 -4.8108 -4.8047 -0.2371 -0.2265 -0.1897 -0.1420 -0.1294 -0.0975 0.0748 0.1041 0.1386 0.1572 0.1641 0.1676 1.0766 1.1306 1.2336 1.2936 1.5936 1.5947 1.7169 1.7209 1.7373 1.7803 1.8610 1.8620 1.9009 1.9305 1.9604 1.9921 1.9979 2.0141 3.0396 3.1046 3.2873 3.3537 5.6747 5.6938 5.8857 5.9237 5.9678 5.9973 6.4183 6.4974 6.8252 6.9093 6.9899 6.9911 7.1013 7.1279 7.3324 7.3662 9.4594 9.4628 9.8490 9.8907 11.8263 11.8851 12.3656 12.3791 k = 0.0000 0.0000 0.0513 ( 4609 PWs) bands (ev): -5.6468 -5.6456 -5.0370 -5.0304 -4.7816 -4.7757 -0.2399 -0.2255 -0.1998 -0.1487 -0.1200 -0.0896 0.0697 0.1084 0.1345 0.1594 0.1634 0.1680 1.0523 1.1043 1.2596 1.3201 1.5926 1.5947 1.7113 1.7134 1.7411 1.7899 1.8580 1.8588 1.8957 1.9349 1.9560 1.9958 1.9977 2.0171 3.0110 3.0739 3.3421 3.4070 5.6094 5.6318 5.8844 5.9331 5.9644 6.0043 6.3859 6.4578 6.8993 6.9680 6.9911 6.9952 7.1246 7.1505 7.3276 7.3724 9.3870 9.3893 9.9098 9.9579 11.7425 11.8085 12.4587 12.4663 k = 0.0000 0.0000 0.0641 ( 4621 PWs) bands (ev): -5.6396 -5.6382 -5.0706 -5.0640 -4.7537 -4.7480 -0.2431 -0.2246 -0.2098 -0.1551 -0.1110 -0.0818 0.0647 0.1124 0.1301 0.1614 0.1626 0.1685 1.0292 1.0789 1.2850 1.3461 1.5911 1.5949 1.7020 1.7097 1.7450 1.7990 1.8544 1.8548 1.8907 1.9391 1.9519 1.9939 2.0030 2.0201 2.9857 3.0459 3.4008 3.4639 5.5333 5.5574 5.8842 5.9435 5.9613 6.0119 6.3600 6.4234 6.9231 6.9469 7.0452 7.0736 7.1587 7.1726 7.3232 7.3791 9.3098 9.3174 9.9695 10.0241 11.6608 11.7335 12.5510 12.5544 k = 0.0000 0.0000 0.0770 ( 4621 PWs) bands (ev): -5.6308 -5.6291 -5.1041 -5.0976 -4.7272 -4.7218 -0.2465 -0.2238 -0.2194 -0.1613 -0.1023 -0.0740 0.0599 0.1163 0.1255 0.1618 0.1632 0.1689 1.0075 1.0545 1.3097 1.3714 1.5891 1.5952 1.6931 1.7057 1.7491 1.8076 1.8502 1.8503 1.8860 1.9431 1.9481 1.9921 2.0081 2.0230 2.9635 3.0204 3.4634 3.5244 5.4491 5.4739 5.8849 5.9549 5.9584 6.0203 6.3385 6.3930 6.9145 6.9268 7.1227 7.1332 7.1940 7.2241 7.3191 7.3868 9.2311 9.2438 10.0284 10.0891 11.5815 11.6603 12.6408 12.6430 k = 0.0000 0.0000 0.0898 ( 4622 PWs) bands (ev): -5.6205 -5.6185 -5.1374 -5.1310 -4.7023 -4.6972 -0.2503 -0.2287 -0.2230 -0.1671 -0.0939 -0.0663 0.0554 0.1199 0.1205 0.1609 0.1648 0.1693 0.9873 1.0312 1.3336 1.3961 1.5865 1.5957 1.6845 1.7011 1.7533 1.8155 1.8454 1.8460 1.8816 1.9443 1.9469 1.9906 2.0128 2.0258 2.9442 2.9975 3.5298 3.5884 5.3590 5.3839 5.8863 5.9556 5.9673 6.0294 6.3195 6.3658 6.9006 6.9078 7.1487 7.2146 7.2251 7.3096 7.3197 7.3978 9.1509 9.1683 10.0865 10.1529 11.5046 11.5887 12.7251 12.7315 k = 0.0000 0.0000 0.1026 ( 4592 PWs) bands (ev): -5.6086 -5.6063 -5.1704 -5.1641 -4.6791 -4.6744 -0.2542 -0.2374 -0.2221 -0.1726 -0.0860 -0.0590 0.0513 0.1153 0.1234 0.1599 0.1662 0.1697 0.9688 1.0093 1.3565 1.4201 1.5833 1.5965 1.6762 1.6959 1.7576 1.8224 1.8405 1.8414 1.8781 1.9406 1.9505 1.9891 2.0172 2.0285 2.9276 2.9768 3.5999 3.6560 5.2647 5.2895 5.8884 5.9529 5.9808 6.0393 6.3018 6.3408 6.8860 6.8901 7.1676 7.2343 7.3062 7.3109 7.4120 7.4216 9.0692 9.0908 10.1439 10.2154 11.4304 11.5190 12.7981 12.8193 k = 0.0000 0.0000 0.1154 ( 4574 PWs) bands (ev): -5.5951 -5.5925 -5.2029 -5.1967 -4.6579 -4.6536 -0.2582 -0.2455 -0.2213 -0.1778 -0.0785 -0.0520 0.0479 0.1097 0.1266 0.1588 0.1673 0.1700 0.9523 0.9890 1.3785 1.4433 1.5793 1.5975 1.6684 1.6899 1.7619 1.8279 1.8358 1.8366 1.8757 1.9368 1.9539 1.9877 2.0211 2.0309 2.9137 2.9583 3.6736 3.7270 5.1674 5.1922 5.8911 5.9502 5.9953 6.0499 6.2845 6.3175 6.8719 6.8738 7.1838 7.2530 7.3073 7.3521 7.4807 7.5119 8.9858 9.0115 10.2005 10.2763 11.3590 11.4510 12.8515 12.9053 k = 0.0000 0.0000 0.1283 ( 4586 PWs) bands (ev): -5.5801 -5.5773 -5.2349 -5.2288 -4.6387 -4.6348 -0.2622 -0.2530 -0.2203 -0.1828 -0.0714 -0.0458 0.0452 0.1039 0.1297 0.1576 0.1684 0.1704 0.9377 0.9704 1.3994 1.4656 1.5745 1.5988 1.6610 1.6829 1.7664 1.8316 1.8316 1.8317 1.8749 1.9330 1.9571 1.9863 2.0247 2.0331 2.9021 2.9419 3.7507 3.8014 5.0682 5.0932 5.8943 5.9475 6.0107 6.0613 6.2673 6.2955 6.8588 6.8592 7.1983 7.2707 7.3036 7.3681 7.5691 7.6129 8.9008 8.9301 10.2561 10.3352 11.2910 11.3849 12.8796 12.8944 k = 0.0000 0.0000 0.1411 ( 4598 PWs) bands (ev): -5.5637 -5.5606 -5.2662 -5.2603 -4.6217 -4.6183 -0.2661 -0.2596 -0.2192 -0.1874 -0.0648 -0.0404 0.0434 0.0978 0.1326 0.1564 0.1692 0.1707 0.9252 0.9537 1.4191 1.4872 1.5688 1.6003 1.6541 1.6749 1.7708 1.8268 1.8281 1.8332 1.8761 1.9291 1.9601 1.9849 2.0279 2.0350 2.8928 2.9275 3.8310 3.8790 4.9679 4.9933 5.8979 5.9446 6.0270 6.0735 6.2497 6.2745 6.8462 6.8468 7.2115 7.2871 7.2998 7.3741 7.6665 7.7142 8.8142 8.8468 10.3108 10.3915 11.2270 11.3210 12.8780 12.8872 k = 0.0000 0.0000 0.1539 ( 4598 PWs) bands (ev): -5.5458 -5.5424 -5.2968 -5.2911 -4.6071 -4.6042 -0.2697 -0.2653 -0.2179 -0.1916 -0.0586 -0.0361 0.0429 0.0916 0.1353 0.1550 0.1699 0.1709 0.9149 0.9390 1.4378 1.5079 1.5622 1.6022 1.6476 1.6658 1.7753 1.8219 1.8253 1.8330 1.8790 1.9251 1.9629 1.9835 2.0307 2.0366 2.8857 2.9150 3.9145 3.9597 4.8670 4.8931 5.9018 5.9415 6.0441 6.0865 6.2318 6.2542 6.8352 6.8363 7.2236 7.2958 7.3023 7.3761 7.7663 7.8152 8.7260 8.7615 10.3639 10.4443 11.1679 11.2597 12.8649 12.8838 k = 0.0000 0.0000 0.1667 ( 4586 PWs) bands (ev): -5.5265 -5.5228 -5.3266 -5.3211 -4.5948 -4.5925 -0.2729 -0.2701 -0.2164 -0.1956 -0.0528 -0.0332 0.0438 0.0852 0.1378 0.1535 0.1705 0.1711 0.9069 0.9263 1.4553 1.5276 1.5546 1.6042 1.6416 1.6557 1.7799 1.8171 1.8233 1.8315 1.8830 1.9209 1.9656 1.9820 2.0331 2.0378 2.8806 2.9043 4.0007 4.0433 4.7661 4.7931 5.9059 5.9383 6.0618 6.1002 6.2134 6.2346 6.8261 6.8274 7.2346 7.2915 7.3162 7.3758 7.8666 7.9157 8.6361 8.6742 10.4151 10.4917 11.1156 11.2017 12.8551 12.8757 k = 0.0000 0.0000 0.1796 ( 4586 PWs) bands (ev): -5.5058 -5.5019 -5.3554 -5.3501 -4.5852 -4.5834 -0.2755 -0.2738 -0.2148 -0.1992 -0.0476 -0.0319 0.0461 0.0787 0.1402 0.1520 0.1709 0.1713 0.9011 0.9158 1.4716 1.5460 1.5464 1.6062 1.6361 1.6447 1.7844 1.8123 1.8222 1.8295 1.8877 1.9166 1.9681 1.9804 2.0351 2.0386 2.8774 2.8953 4.0897 4.1297 4.6656 4.6938 5.9102 5.9348 6.0801 6.1147 6.1947 6.2156 6.8190 6.8203 7.2447 7.2868 7.3287 7.3737 7.9666 8.0153 8.5447 8.5851 10.4630 10.5311 11.0727 11.1480 12.8484 12.8666 k = 0.0000 0.0000 0.1924 ( 4580 PWs) bands (ev): -5.4837 -5.4796 -5.3833 -5.3782 -4.5781 -4.5769 -0.2775 -0.2766 -0.2128 -0.2025 -0.0430 -0.0319 0.0497 0.0722 0.1425 0.1503 0.1712 0.1714 0.8977 0.9076 1.4868 1.5363 1.5642 1.6074 1.6312 1.6338 1.7890 1.8075 1.8220 1.8273 1.8927 1.9121 1.9705 1.9787 2.0367 2.0391 2.8761 2.8881 4.1810 4.2186 4.5659 4.5956 5.9146 5.9311 6.0988 6.1299 6.1757 6.1972 6.8140 6.8150 7.2537 7.2816 7.3399 7.3699 8.0659 8.1139 8.4517 8.4942 10.5059 10.5587 11.0430 11.1007 12.8449 12.8581 k = 0.0000 0.0000 0.2052 ( 4586 PWs) bands (ev): -5.4604 -5.4560 -5.4102 -5.4053 -4.5737 -4.5731 -0.2787 -0.2783 -0.2107 -0.2055 -0.0389 -0.0332 0.0543 0.0658 0.1446 0.1485 0.1714 0.1715 0.8967 0.9016 1.5009 1.5256 1.5806 1.6049 1.6258 1.6271 1.7935 1.8028 1.8225 1.8252 1.8977 1.9074 1.9728 1.9768 2.0379 2.0391 2.8765 2.8826 4.2746 4.3099 4.4673 4.4986 5.9189 5.9272 6.1179 6.1458 6.1564 6.1795 6.8111 6.8117 7.2619 7.2757 7.3496 7.3646 8.1642 8.2112 8.3573 8.4015 10.5409 10.5702 11.0307 11.0625 12.8443 12.8512 k = 0.0000 0.0000 0.2180 ( 4586 PWs) bands (ev): -5.4359 -5.4359 -5.4312 -5.4312 -4.5721 -4.5721 -0.2789 -0.2789 -0.2083 -0.2083 -0.0356 -0.0356 0.0598 0.0598 0.1466 0.1466 0.1715 0.1715 0.8980 0.8980 1.5138 1.5138 1.5950 1.5950 1.6245 1.6245 1.7981 1.7981 1.8236 1.8236 1.9026 1.9026 1.9749 1.9749 2.0387 2.0387 2.8787 2.8787 4.3701 4.3701 4.4033 4.4033 5.9231 5.9231 6.1371 6.1371 6.1623 6.1623 6.8104 6.8104 7.2692 7.2692 7.3578 7.3578 8.2614 8.2614 8.3071 8.3071 10.5637 10.5637 11.0378 11.0378 12.8465 12.8465 k = 0.0000 0.0000 0.2180 ( 4586 PWs) bands (ev): -5.4359 -5.4359 -5.4312 -5.4312 -4.5721 -4.5721 -0.2789 -0.2789 -0.2083 -0.2083 -0.0356 -0.0356 0.0598 0.0598 0.1466 0.1466 0.1715 0.1715 0.8980 0.8980 1.5138 1.5138 1.5950 1.5950 1.6245 1.6245 1.7981 1.7981 1.8236 1.8236 1.9026 1.9026 1.9749 1.9749 2.0387 2.0387 2.8787 2.8787 4.3701 4.3701 4.4033 4.4033 5.9231 5.9231 6.1371 6.1371 6.1623 6.1623 6.8104 6.8104 7.2692 7.2692 7.3578 7.3578 8.2614 8.2614 8.3071 8.3071 10.5637 10.5637 11.0378 11.0378 12.8465 12.8465 k = 0.0114 0.0066 0.2180 ( 4586 PWs) bands (ev): -5.4353 -5.4353 -5.4307 -5.4306 -4.5723 -4.5722 -0.2798 -0.2773 -0.2080 -0.2079 -0.0396 -0.0316 0.0594 0.0602 0.1467 0.1467 0.1710 0.1722 0.8974 0.9002 1.5136 1.5136 1.5892 1.6005 1.6238 1.6256 1.7980 1.7981 1.8222 1.8252 1.9023 1.9029 1.9737 1.9762 2.0388 2.0388 2.8785 2.8792 4.3676 4.3695 4.4021 4.4025 5.9170 5.9197 6.1357 6.1369 6.1586 6.1679 6.8033 6.8105 7.2651 7.2656 7.3519 7.3564 8.2616 8.2731 8.3135 8.3137 10.5667 10.5715 11.0261 11.0330 12.8461 12.8556 k = 0.0227 0.0131 0.2180 ( 4588 PWs) bands (ev): -5.4336 -5.4336 -5.4290 -5.4288 -4.5727 -4.5725 -0.2799 -0.2749 -0.2071 -0.2070 -0.0435 -0.0275 0.0589 0.0606 0.1469 0.1469 0.1707 0.1731 0.8984 0.9040 1.5130 1.5131 1.5832 1.6056 1.6234 1.6270 1.7977 1.7979 1.8211 1.8269 1.9020 1.9031 1.9727 1.9777 2.0392 2.0393 2.8785 2.8801 4.3618 4.3659 4.3977 4.4007 5.9024 5.9072 6.1290 6.1363 6.1587 6.1746 6.7897 6.8036 7.2518 7.2559 7.3394 7.3476 8.2740 8.2960 8.3321 8.3334 10.5796 10.5902 10.9984 11.0129 12.8534 12.8734 k = 0.0341 0.0197 0.2180 ( 4590 PWs) bands (ev): -5.4309 -5.4308 -5.4261 -5.4257 -4.5734 -4.5732 -0.2792 -0.2719 -0.2056 -0.2054 -0.0472 -0.0234 0.0584 0.0609 0.1471 0.1472 0.1707 0.1742 0.9010 0.9094 1.5118 1.5122 1.5771 1.6102 1.6233 1.6288 1.7971 1.7977 1.8205 1.8287 1.9017 1.9032 1.9718 1.9794 2.0398 2.0400 2.8788 2.8812 4.3514 4.3604 4.3895 4.3985 5.8810 5.8875 6.1170 6.1343 6.1610 6.1823 6.7704 6.7898 7.2285 7.2410 7.3209 7.3333 8.2982 8.3289 8.3617 8.3652 10.6006 10.6194 10.9562 10.9802 12.8655 12.8983 k = 0.0455 0.0262 0.2180 ( 4596 PWs) bands (ev): -5.4273 -5.4269 -5.4219 -5.4213 -4.5744 -4.5740 -0.2777 -0.2684 -0.2036 -0.2030 -0.0507 -0.0192 0.0578 0.0612 0.1474 0.1477 0.1710 0.1755 0.9052 0.9164 1.5100 1.5111 1.5711 1.6144 1.6234 1.6311 1.7961 1.7976 1.8202 1.8304 1.9014 1.9033 1.9709 1.9812 2.0406 2.0412 2.8795 2.8826 4.3359 4.3537 4.3769 4.3958 5.8546 5.8627 6.1016 6.1296 6.1632 6.1903 6.7461 6.7696 7.1954 7.2211 7.2969 7.3163 8.3331 8.3706 8.4013 8.4075 10.6256 10.6580 10.9023 10.9404 12.8785 12.9276 k = 0.0568 0.0328 0.2180 ( 4590 PWs) bands (ev): -5.4227 -5.4222 -5.4164 -5.4156 -4.5756 -4.5752 -0.2754 -0.2645 -0.2011 -0.1998 -0.0540 -0.0150 0.0572 0.0614 0.1476 0.1483 0.1717 0.1770 0.9110 0.9250 1.5075 1.5096 1.5654 1.6180 1.6237 1.6338 1.7950 1.7975 1.8204 1.8321 1.9011 1.9033 1.9702 1.9832 2.0417 2.0427 2.8805 2.8844 4.3152 4.3455 4.3600 4.3923 5.8248 5.8350 6.0836 6.1222 6.1637 6.1971 6.7178 6.7438 7.1537 7.1950 7.2698 7.2982 8.3774 8.4195 8.4499 8.4584 10.6449 10.7019 10.8423 10.9046 12.8876 12.9578 k = 0.0682 0.0394 0.2180 ( 4590 PWs) bands (ev): -5.4173 -5.4166 -5.4095 -5.4085 -4.5771 -4.5766 -0.2724 -0.2604 -0.1980 -0.1959 -0.0569 -0.0109 0.0566 0.0615 0.1478 0.1490 0.1730 0.1786 0.9182 0.9350 1.5042 1.5078 1.5602 1.6213 1.6239 1.6369 1.7936 1.7975 1.8210 1.8336 1.9010 1.9033 1.9696 1.9852 2.0430 2.0448 2.8818 2.8866 4.2897 4.3312 4.3431 4.3876 5.7927 5.8058 6.0639 6.1126 6.1613 6.2014 6.6867 6.7135 7.1054 7.1608 7.2436 7.2795 8.4292 8.4738 8.5065 8.5158 10.6399 10.7199 10.8089 10.8928 12.8867 12.9838 k = 0.0795 0.0459 0.2180 ( 4590 PWs) bands (ev): -5.4110 -5.4101 -5.4013 -5.4001 -4.5788 -4.5782 -0.2687 -0.2562 -0.1945 -0.1911 -0.0594 -0.0067 0.0560 0.0617 0.1479 0.1498 0.1747 0.1805 0.9268 0.9466 1.4999 1.5056 1.5557 1.6233 1.6248 1.6404 1.7923 1.7977 1.8218 1.8351 1.9009 1.9034 1.9690 1.9873 2.0446 2.0473 2.8835 2.8892 4.2591 4.3045 4.3323 4.3814 5.7591 5.7761 6.0429 6.1015 6.1549 6.2021 6.6537 6.6800 7.0523 7.1182 7.2203 7.2603 8.4871 8.5322 8.5695 8.5779 10.5980 10.6612 10.8541 10.9187 12.8699 12.9941 k = 0.0909 0.0525 0.2180 ( 4580 PWs) bands (ev): -5.4039 -5.4028 -5.3919 -5.3905 -4.5807 -4.5800 -0.2645 -0.2520 -0.1904 -0.1857 -0.0613 -0.0025 0.0554 0.0617 0.1479 0.1506 0.1770 0.1827 0.9368 0.9595 1.4946 1.5032 1.5519 1.6232 1.6274 1.6444 1.7910 1.7980 1.8228 1.8365 1.9008 1.9036 1.9685 1.9894 2.0466 2.0503 2.8856 2.8922 4.2237 4.2705 4.3226 4.3737 5.7246 5.7464 6.0214 6.0893 6.1438 6.1984 6.6197 6.6446 6.9964 7.0696 7.1996 7.2410 8.5494 8.5940 8.6367 8.6434 10.5298 10.5799 10.9243 10.9728 12.8326 12.9643 k = 0.1023 0.0590 0.2180 ( 4574 PWs) bands (ev): -5.3960 -5.3947 -5.3812 -5.3796 -4.5829 -4.5821 -0.2597 -0.2480 -0.1859 -0.1796 -0.0625 0.0016 0.0547 0.0618 0.1478 0.1516 0.1800 0.1851 0.9481 0.9738 1.4884 1.5003 1.5489 1.6223 1.6303 1.6489 1.7899 1.7985 1.8239 1.8379 1.9007 1.9041 1.9681 1.9915 2.0491 2.0538 2.8881 2.8957 4.1834 4.2306 4.3123 4.3642 5.6894 5.7166 5.9996 6.0765 6.1276 6.1896 6.5854 6.6087 6.9397 7.0178 7.1806 7.2216 8.6145 8.6587 8.7053 8.7116 10.4481 10.4926 11.0034 11.0432 12.7740 12.8988 k = 0.1136 0.0656 0.2180 ( 4578 PWs) bands (ev): -5.3872 -5.3859 -5.3693 -5.3676 -4.5853 -4.5844 -0.2546 -0.2442 -0.1808 -0.1732 -0.0627 0.0058 0.0541 0.0618 0.1474 0.1526 0.1836 0.1878 0.9605 0.9892 1.4813 1.4971 1.5466 1.6208 1.6333 1.6537 1.7890 1.7990 1.8251 1.8392 1.9005 1.9050 1.9678 1.9933 2.0520 2.0579 2.8911 2.8998 4.1384 4.1855 4.3013 4.3529 5.6533 5.6864 5.9780 6.0632 6.1063 6.1749 6.5513 6.5737 6.8840 6.9652 7.1625 7.2025 8.6806 8.7257 8.7722 8.7823 10.3593 10.4023 11.0884 11.1237 12.6989 12.8223 k = 0.1250 0.0722 0.2180 ( 4582 PWs) bands (ev): -5.3778 -5.3762 -5.3563 -5.3544 -4.5878 -4.5868 -0.2492 -0.2406 -0.1754 -0.1667 -0.0619 0.0100 0.0535 0.0618 0.1470 0.1537 0.1879 0.1910 0.9740 1.0058 1.4735 1.4935 1.5451 1.6187 1.6366 1.6590 1.7883 1.7997 1.8263 1.8406 1.9001 1.9064 1.9676 1.9950 2.0556 2.0626 2.8946 2.9044 4.0891 4.1358 4.2893 4.3397 5.6161 5.6550 5.9565 6.0491 6.0803 6.1544 6.5176 6.5408 6.8310 6.9139 7.1448 7.1838 8.7457 8.7947 8.8362 8.8539 10.2671 10.3106 11.1776 11.2115 12.6141 12.7423 k = 0.1364 0.0787 0.2180 ( 4572 PWs) bands (ev): -5.3675 -5.3659 -5.3421 -5.3402 -4.5905 -4.5894 -0.2438 -0.2371 -0.1695 -0.1604 -0.0596 0.0142 0.0530 0.0618 0.1464 0.1548 0.1927 0.1947 0.9885 1.0235 1.4651 1.4895 1.5441 1.6160 1.6401 1.6645 1.7879 1.8005 1.8275 1.8421 1.8996 1.9082 1.9676 1.9965 2.0597 2.0679 2.8986 2.9098 4.0360 4.0820 4.2762 4.3244 5.5771 5.6215 5.9350 6.0324 6.0515 6.1283 6.4851 6.5111 6.7823 6.8653 7.1275 7.1658 8.8077 8.8648 8.8969 8.9253 10.1731 10.2182 11.2700 11.3046 12.5256 12.6615 k = 0.1477 0.0853 0.2180 ( 4576 PWs) bands (ev): -5.3567 -5.3549 -5.3270 -5.3249 -4.5933 -4.5922 -0.2388 -0.2334 -0.1633 -0.1547 -0.0559 0.0182 0.0526 0.0620 0.1457 0.1559 0.1976 0.1995 1.0038 1.0419 1.4562 1.4850 1.5437 1.6127 1.6440 1.6704 1.7876 1.8014 1.8285 1.8439 1.8991 1.9103 1.9677 1.9977 2.0645 2.0739 2.9032 2.9158 3.9796 4.0250 4.2616 4.3068 5.5360 5.5850 5.9125 6.0066 6.0262 6.0976 6.4549 6.4853 6.7388 6.8205 7.1105 7.1487 8.8640 8.9326 8.9555 8.9960 10.0788 10.1261 11.3644 11.4018 12.4372 12.5818 k = 0.1591 0.0919 0.2180 ( 4584 PWs) bands (ev): -5.3452 -5.3433 -5.3108 -5.3086 -4.5963 -4.5951 -0.2345 -0.2291 -0.1568 -0.1498 -0.0505 0.0221 0.0524 0.0622 0.1449 0.1570 0.2024 0.2056 1.0198 1.0611 1.4470 1.4801 1.5439 1.6089 1.6483 1.6764 1.7873 1.8025 1.8295 1.8460 1.8985 1.9129 1.9681 1.9988 2.0699 2.0805 2.9084 2.9227 3.9207 3.9657 4.2455 4.2869 5.4923 5.5443 5.8879 5.9710 6.0049 6.0640 6.4288 6.4643 6.7006 6.7797 7.0937 7.1325 8.9123 8.9869 9.0210 9.0663 9.9851 10.0347 11.4598 11.5018 12.3512 12.5033 k = 0.1705 0.0984 0.2180 ( 4580 PWs) bands (ev): -5.3331 -5.3312 -5.2938 -5.2915 -4.5994 -4.5981 -0.2314 -0.2242 -0.1500 -0.1457 -0.0437 0.0256 0.0525 0.0627 0.1440 0.1582 0.2075 0.2126 1.0363 1.0808 1.4374 1.4747 1.5446 1.6048 1.6530 1.6824 1.7870 1.8041 1.8302 1.8486 1.8979 1.9158 1.9687 1.9997 2.0759 2.0878 2.9142 2.9303 3.8600 3.9048 4.2274 4.2644 5.4458 5.4987 5.8598 5.9316 5.9812 6.0297 6.4089 6.4490 6.6673 6.7428 7.0772 7.1175 8.9505 9.0260 9.0927 9.1363 9.8929 9.9447 11.5551 11.6035 12.2689 12.4248 k = 0.1818 0.1050 0.2180 ( 4580 PWs) bands (ev): -5.3205 -5.3185 -5.2759 -5.2734 -4.6026 -4.6012 -0.2288 -0.2192 -0.1432 -0.1422 -0.0357 0.0286 0.0532 0.0637 0.1431 0.1593 0.2133 0.2204 1.0531 1.1007 1.4277 1.4687 1.5458 1.6005 1.6581 1.6885 1.7862 1.8061 1.8307 1.8517 1.8974 1.9190 1.9695 2.0005 2.0827 2.0958 2.9206 2.9389 3.7983 3.8433 4.2071 4.2391 5.3963 5.4474 5.8272 5.8903 5.9533 5.9966 6.3971 6.4399 6.6381 6.7092 7.0613 7.1037 8.9770 9.0533 9.1648 9.2061 9.8034 9.8565 11.6485 11.7057 12.1908 12.3447 k = 0.1932 0.1115 0.2180 ( 4580 PWs) bands (ev): -5.3074 -5.3053 -5.2572 -5.2547 -4.6059 -4.6044 -0.2266 -0.2144 -0.1396 -0.1359 -0.0270 0.0307 0.0546 0.0652 0.1422 0.1605 0.2198 0.2288 1.0701 1.1206 1.4178 1.4622 1.5475 1.5960 1.6636 1.6945 1.7851 1.8088 1.8307 1.8555 1.8971 1.9225 1.9707 2.0013 2.0901 2.1045 2.9276 2.9483 3.7364 3.7820 4.1843 4.2109 5.3439 5.3903 5.7897 5.8484 5.9213 5.9656 6.3941 6.4372 6.6120 6.6781 7.0460 7.0909 8.9910 9.0690 9.2342 9.2749 9.7185 9.7711 11.7377 11.8072 12.1169 12.2637 k = 0.2045 0.1181 0.2180 ( 4576 PWs) bands (ev): -5.2939 -5.2918 -5.2378 -5.2352 -4.6092 -4.6076 -0.2248 -0.2101 -0.1368 -0.1288 -0.0182 0.0320 0.0567 0.0676 0.1413 0.1617 0.2271 0.2378 1.0871 1.1402 1.4079 1.4552 1.5497 1.5916 1.6695 1.7002 1.7834 1.8121 1.8304 1.8599 1.8971 1.9262 1.9721 2.0021 2.0981 2.1140 2.9352 2.9586 3.6751 3.7217 4.1587 4.1797 5.2886 5.3277 5.7475 5.8072 5.8865 5.9367 6.3997 6.4404 6.5882 6.6486 7.0313 7.0793 8.9922 9.0728 9.2961 9.3406 9.6426 9.6903 11.8171 11.9066 12.0479 12.1854 k = 0.2159 0.1247 0.2180 ( 4586 PWs) bands (ev): -5.2801 -5.2780 -5.2178 -5.2151 -4.6126 -4.6109 -0.2231 -0.2064 -0.1341 -0.1218 -0.0099 0.0328 0.0593 0.0711 0.1406 0.1629 0.2352 0.2475 1.1038 1.1590 1.3983 1.4477 1.5524 1.5873 1.6756 1.7056 1.7815 1.8153 1.8300 1.8648 1.8975 1.9300 1.9739 2.0031 2.1068 2.1241 2.9432 2.9697 3.6153 3.6634 4.1296 4.1458 5.2307 5.2602 5.7018 5.7675 5.8502 5.9095 6.4130 6.4483 6.5666 6.6203 7.0174 7.0685 8.9810 9.0648 9.3377 9.3969 9.5885 9.6203 11.8691 11.9879 12.0032 12.1209 k = 0.2273 0.1312 0.2180 ( 4594 PWs) bands (ev): -5.2660 -5.2638 -5.1973 -5.1946 -4.6159 -4.6142 -0.2218 -0.2034 -0.1311 -0.1149 -0.0030 0.0334 0.0626 0.0755 0.1400 0.1641 0.2441 0.2576 1.1201 1.1766 1.3890 1.4398 1.5556 1.5834 1.6820 1.7107 1.7794 1.8172 1.8308 1.8703 1.8986 1.9339 1.9760 2.0043 2.1162 2.1350 2.9515 2.9814 3.5576 3.6078 4.0962 4.1096 5.1703 5.1889 5.6542 5.7295 5.8139 5.8837 6.4325 6.4579 6.5487 6.5924 7.0042 7.0587 8.9583 9.0456 9.3345 9.4196 9.5792 9.5865 11.8559 11.9434 12.0916 12.1043 k = 0.2386 0.1378 0.2180 ( 4602 PWs) bands (ev): -5.2517 -5.2495 -5.1763 -5.1735 -4.6193 -4.6174 -0.2206 -0.2013 -0.1278 -0.1082 0.0020 0.0343 0.0669 0.0807 0.1399 0.1655 0.2539 0.2682 1.1358 1.1922 1.3806 1.4317 1.5592 1.5800 1.6885 1.7152 1.7774 1.8162 1.8341 1.8762 1.9003 1.9377 1.9786 2.0057 2.1264 2.1466 2.9597 2.9935 3.5031 3.5558 4.0576 4.0719 5.1078 5.1149 5.6066 5.6928 5.7788 5.8590 6.4565 6.4630 6.5390 6.5652 6.9915 7.0495 8.9254 9.0158 9.2872 9.3818 9.6094 9.6203 11.7979 11.8815 12.1425 12.1740 k = 0.2500 0.1443 0.2180 ( 4602 PWs) bands (ev): -5.2373 -5.2351 -5.1550 -5.1522 -4.6226 -4.6207 -0.2196 -0.1999 -0.1242 -0.1018 0.0046 0.0355 0.0722 0.0862 0.1404 0.1670 0.2644 0.2792 1.1504 1.2051 1.3736 1.4235 1.5631 1.5775 1.6947 1.7193 1.7757 1.8128 1.8395 1.8824 1.9026 1.9415 1.9817 2.0074 2.1372 2.1588 2.9674 3.0053 3.4527 3.5083 4.0142 4.0325 5.0386 5.0443 5.5603 5.6568 5.7459 5.8351 6.4548 6.4841 6.5341 6.5491 6.9794 7.0408 8.8839 8.9767 9.2219 9.3158 9.6643 9.6783 11.7296 11.8085 12.1974 12.2459 k = 0.2614 0.1509 0.2180 ( 4606 PWs) bands (ev): -5.2228 -5.2206 -5.1335 -5.1307 -4.6259 -4.6239 -0.2188 -0.1992 -0.1203 -0.0957 0.0052 0.0368 0.0786 0.0918 0.1418 0.1687 0.2755 0.2904 1.1638 1.2142 1.3683 1.4160 1.5666 1.5764 1.7001 1.7232 1.7747 1.8082 1.8461 1.8886 1.9057 1.9450 1.9853 2.0094 2.1487 2.1716 2.9740 3.0162 3.4076 3.4665 3.9669 3.9904 4.9627 4.9788 5.5164 5.6215 5.7156 5.8121 6.4360 6.4969 6.5249 6.5659 6.9675 7.0324 8.8353 8.9296 9.1523 9.2437 9.7257 9.7427 11.6590 11.7340 12.2514 12.3075 k = 0.2727 0.1575 0.2180 ( 4606 PWs) bands (ev): -5.2083 -5.2061 -5.1119 -5.1091 -4.6291 -4.6270 -0.2182 -0.1992 -0.1163 -0.0901 0.0043 0.0379 0.0857 0.0971 0.1446 0.1708 0.2872 0.3018 1.1755 1.2188 1.3649 1.4102 1.5683 1.5783 1.7041 1.7273 1.7744 1.8029 1.8533 1.8948 1.9095 1.9484 1.9894 2.0117 2.1609 2.1850 2.9786 3.0248 3.3692 3.4312 3.9165 3.9454 4.8871 4.9127 5.4753 5.5869 5.6882 5.7898 6.4116 6.4714 6.5529 6.5909 6.9556 7.0242 8.7814 8.8760 9.0833 9.1714 9.7882 9.8089 11.5885 11.6611 12.2997 12.3596 k = 0.2841 0.1640 0.2180 ( 4594 PWs) bands (ev): -5.1938 -5.1917 -5.0903 -5.0875 -4.6321 -4.6300 -0.2177 -0.1996 -0.1124 -0.0851 0.0026 0.0386 0.0928 0.1019 0.1491 0.1735 0.2991 0.3133 1.1848 1.2186 1.3627 1.4074 1.5684 1.5830 1.7058 1.7322 1.7745 1.7978 1.8610 1.9008 1.9139 1.9515 1.9940 2.0145 2.1736 2.1988 2.9804 3.0296 3.3394 3.4037 3.8638 3.8974 4.8129 4.8465 5.4373 5.5531 5.6635 5.7683 6.3840 6.4404 6.5857 6.6192 6.9437 7.0160 8.7240 8.8177 9.0166 9.1007 9.8499 9.8749 11.5193 11.5913 12.3400 12.4042 k = 0.2955 0.1706 0.2180 ( 4600 PWs) bands (ev): -5.1796 -5.1774 -5.0688 -5.0661 -4.6351 -4.6329 -0.2174 -0.2005 -0.1087 -0.0807 0.0004 0.0390 0.0990 0.1064 0.1556 0.1769 0.3112 0.3248 1.1908 1.2143 1.3606 1.4090 1.5684 1.5890 1.7053 1.7380 1.7741 1.7941 1.8690 1.9064 1.9192 1.9543 1.9988 2.0176 2.1868 2.2129 2.9785 3.0288 3.3198 3.3846 3.8095 3.8468 4.7409 4.7808 5.4025 5.5203 5.6413 5.7476 6.3540 6.4074 6.6185 6.6491 6.9315 7.0077 8.6648 8.7567 8.9530 9.0324 9.9097 9.9396 11.4525 11.5252 12.3704 12.4434 k = 0.3068 0.1771 0.2180 ( 4604 PWs) bands (ev): -5.1655 -5.1634 -5.0477 -5.0449 -4.6379 -4.6356 -0.2173 -0.2017 -0.1054 -0.0771 -0.0019 0.0390 0.1032 0.1115 0.1640 0.1815 0.3231 0.3362 1.1919 1.2079 1.3586 1.4149 1.5688 1.5957 1.7030 1.7440 1.7723 1.7931 1.8771 1.9115 1.9253 1.9571 2.0037 2.0212 2.2004 2.2273 2.9725 3.0215 3.3108 3.3741 3.7546 3.7940 4.6718 4.7161 5.3709 5.4888 5.6213 5.7278 6.3219 6.3726 6.6502 6.6800 6.9190 6.9993 8.6055 8.6949 8.8925 8.9671 9.9672 10.0023 11.3889 11.4637 12.3904 12.4779 k = 0.3182 0.1837 0.2180 ( 4598 PWs) bands (ev): -5.1517 -5.1497 -5.0269 -5.0242 -4.6405 -4.6382 -0.2172 -0.2031 -0.1026 -0.0744 -0.0039 0.0388 0.1056 0.1167 0.1737 0.1876 0.3346 0.3474 1.1858 1.2019 1.3576 1.4238 1.5697 1.6029 1.6994 1.7491 1.7701 1.7947 1.8850 1.9164 1.9320 1.9599 2.0084 2.0253 2.2139 2.2417 2.9626 3.0083 3.3113 3.3715 3.7002 3.7400 4.6060 4.6531 5.3424 5.4587 5.6033 5.7088 6.2877 6.3359 6.6796 6.7110 6.9062 6.9908 8.5477 8.6343 8.8351 8.9049 10.0218 10.0625 11.3293 11.4072 12.4002 12.5068 k = 0.3295 0.1903 0.2180 ( 4602 PWs) bands (ev): -5.1383 -5.1363 -5.0067 -5.0040 -4.6429 -4.6406 -0.2173 -0.2047 -0.1005 -0.0729 -0.0055 0.0383 0.1070 0.1215 0.1843 0.1958 0.3456 0.3583 1.1743 1.1953 1.3587 1.4345 1.5713 1.6106 1.6951 1.7510 1.7704 1.7980 1.8923 1.9214 1.9390 1.9631 2.0129 2.0299 2.2274 2.2559 2.9495 2.9908 3.3182 3.3754 3.6480 3.6858 4.5441 4.5924 5.3166 5.4300 5.5872 5.6907 6.2515 6.2972 6.7059 6.7416 6.8933 6.9824 8.4928 8.5764 8.7806 8.8459 10.0731 10.1196 11.2745 11.3562 12.4008 12.5283 k = 0.3409 0.1968 0.2180 ( 4602 PWs) bands (ev): -5.1253 -5.1234 -4.9872 -4.9846 -4.6450 -4.6427 -0.2175 -0.2063 -0.0991 -0.0725 -0.0064 0.0377 0.1079 0.1252 0.1953 0.2062 0.3557 0.3687 1.1602 1.1863 1.3619 1.4458 1.5735 1.6187 1.6903 1.7490 1.7747 1.8021 1.8986 1.9268 1.9459 1.9673 2.0169 2.0350 2.2403 2.2696 2.9340 2.9709 3.3270 3.3831 3.6007 3.6336 4.4865 4.5345 5.2934 5.4029 5.5727 5.6734 6.2132 6.2564 6.7287 6.7705 6.8808 6.9745 8.4422 8.5226 8.7290 8.7902 10.1206 10.1730 11.2252 11.3113 12.3933 12.5403 k = 0.3523 0.2034 0.2180 ( 4590 PWs) bands (ev): -5.1128 -5.1110 -4.9685 -4.9659 -4.6469 -4.6446 -0.2177 -0.2080 -0.0984 -0.0732 -0.0066 0.0370 0.1087 0.1280 0.2066 0.2186 0.3648 0.3786 1.1451 1.1746 1.3672 1.4572 1.5764 1.6271 1.6854 1.7455 1.7809 1.8067 1.9037 1.9324 1.9525 1.9729 2.0205 2.0405 2.2524 2.2825 2.9172 2.9502 3.3316 3.3910 3.5614 3.5878 4.4338 4.4802 5.2727 5.3773 5.5598 5.6570 6.1727 6.2134 6.7474 6.7959 6.8701 6.9675 8.3968 8.4738 8.6802 8.7378 10.1639 10.2219 11.1824 11.2730 12.3787 12.5406 k = 0.3636 0.2099 0.2180 ( 4594 PWs) bands (ev): -5.1009 -5.0992 -4.9508 -4.9483 -4.6485 -4.6462 -0.2180 -0.2098 -0.0985 -0.0752 -0.0060 0.0362 0.1094 0.1299 0.2186 0.2322 0.3729 0.3878 1.1295 1.1609 1.3739 1.4678 1.5800 1.6357 1.6807 1.7420 1.7877 1.8117 1.9077 1.9377 1.9588 1.9802 2.0238 2.0464 2.2634 2.2942 2.8999 2.9297 3.3251 3.3925 3.5320 3.5580 4.3864 4.4301 5.2542 5.3532 5.5483 5.6414 6.1302 6.1684 6.7615 6.8131 6.8656 6.9621 8.3574 8.4307 8.6344 8.6886 10.2025 10.2656 11.1468 11.2416 12.3582 12.5281 k = 0.3750 0.2165 0.2180 ( 4602 PWs) bands (ev): -5.0896 -5.0880 -4.9341 -4.9318 -4.6497 -4.6475 -0.2183 -0.2114 -0.0992 -0.0780 -0.0048 0.0353 0.1101 0.1310 0.2313 0.2466 0.3798 0.3960 1.1140 1.1460 1.3816 1.4773 1.5843 1.6441 1.6766 1.7390 1.7946 1.8169 1.9108 1.9421 1.9651 1.9889 2.0270 2.0526 2.2728 2.3043 2.8828 2.9101 3.3046 3.3783 3.5175 3.5498 4.3449 4.3849 5.2378 5.3306 5.5380 5.6266 6.0859 6.1215 6.7707 6.8156 6.8739 6.9588 8.3242 8.3937 8.5913 8.6425 10.2362 10.3033 11.1193 11.2173 12.3330 12.5035 k = 0.3864 0.2231 0.2180 ( 4600 PWs) bands (ev): -5.0790 -5.0775 -4.9187 -4.9166 -4.6507 -4.6485 -0.2187 -0.2131 -0.1005 -0.0815 -0.0031 0.0344 0.1109 0.1315 0.2446 0.2615 0.3856 0.4030 1.0989 1.1304 1.3900 1.4853 1.5894 1.6517 1.6740 1.7366 1.8013 1.8223 1.9134 1.9454 1.9715 1.9983 2.0305 2.0594 2.2803 2.3121 2.8664 2.8915 3.2744 3.3472 3.5210 3.5561 4.3098 4.3456 5.2234 5.3095 5.5290 5.6126 6.0401 6.0732 6.7751 6.8081 6.8904 6.9578 8.2974 8.3628 8.5511 8.5996 10.2649 10.3342 11.1005 11.2002 12.3041 12.4692 k = 0.3977 0.2296 0.2180 ( 4602 PWs) bands (ev): -5.0692 -5.0678 -4.9047 -4.9027 -4.6513 -4.6492 -0.2191 -0.2146 -0.1023 -0.0856 -0.0009 0.0334 0.1117 0.1316 0.2584 0.2765 0.3901 0.4088 1.0845 1.1147 1.3987 1.4913 1.5953 1.6566 1.6748 1.7348 1.8080 1.8278 1.9157 1.9480 1.9778 2.0071 2.0353 2.0668 2.2854 2.3173 2.8510 2.8743 3.2404 3.3084 3.5339 3.5688 4.2817 4.3127 5.2108 5.2899 5.5211 5.5994 5.9934 6.0241 6.7753 6.7976 6.9079 6.9591 8.2767 8.3381 8.5137 8.5598 10.2885 10.3581 11.0908 11.1901 12.2728 12.4283 k = 0.4091 0.2362 0.2180 ( 4602 PWs) bands (ev): -5.0602 -5.0589 -4.8920 -4.8902 -4.6516 -4.6496 -0.2194 -0.2160 -0.1043 -0.0899 0.0014 0.0324 0.1126 0.1313 0.2724 0.2915 0.3934 0.4132 1.0712 1.0994 1.4075 1.4953 1.6018 1.6574 1.6801 1.7336 1.8145 1.8332 1.9179 1.9500 1.9837 2.0135 2.0428 2.0751 2.2878 2.3194 2.8369 2.8585 3.2068 3.2687 3.5493 3.5828 4.2608 4.2871 5.2000 5.2717 5.5144 5.5869 5.9466 5.9749 6.7724 6.7870 6.9241 6.9619 8.2619 8.3192 8.4792 8.5230 10.3073 10.3748 11.0900 11.1864 12.2402 12.3834 k = 0.4205 0.2427 0.2180 ( 4600 PWs) bands (ev): -5.0521 -5.0509 -4.8809 -4.8792 -4.6516 -4.6498 -0.2198 -0.2172 -0.1065 -0.0942 0.0039 0.0313 0.1136 0.1307 0.2865 0.3064 0.3953 0.4161 1.0592 1.0849 1.4163 1.4972 1.6087 1.6564 1.6878 1.7329 1.8210 1.8384 1.9201 1.9516 1.9890 2.0170 2.0534 2.0845 2.2871 2.3180 2.8244 2.8441 3.1761 3.2315 3.5636 3.5952 4.2473 4.2689 5.1910 5.2550 5.5087 5.5750 5.9009 5.9268 6.7674 6.7771 6.9384 6.9657 8.2523 8.3057 8.4473 8.4892 10.3219 10.3850 11.0970 11.1880 12.2074 12.3365 k = 0.4318 0.2493 0.2180 ( 4612 PWs) bands (ev): -5.0449 -5.0439 -4.8712 -4.8698 -4.6513 -4.6497 -0.2202 -0.2183 -0.1087 -0.0984 0.0064 0.0302 0.1147 0.1299 0.3004 0.3209 0.3958 0.4174 1.0486 1.0715 1.4251 1.4972 1.6156 1.6550 1.6958 1.7326 1.8274 1.8433 1.9224 1.9529 1.9935 2.0183 2.0664 2.0951 2.2834 2.3129 2.8138 2.8314 3.1496 3.1981 3.5752 3.6044 4.2407 4.2580 5.1837 5.2396 5.5042 5.5638 5.8574 5.8808 6.7614 6.7683 6.9504 6.9699 8.2474 8.2971 8.4182 8.4583 10.3329 10.3897 11.1105 11.1937 12.1759 12.2895 k = 0.4432 0.2559 0.2180 ( 4608 PWs) bands (ev): -5.0387 -5.0378 -4.8631 -4.8619 -4.6509 -4.6495 -0.2205 -0.2192 -0.1107 -0.1024 0.0090 0.0289 0.1159 0.1289 0.3140 0.3348 0.3950 0.4172 1.0398 1.0593 1.4336 1.4956 1.6223 1.6537 1.7034 1.7324 1.8338 1.8476 1.9251 1.9537 1.9972 2.0183 2.0808 2.1068 2.2767 2.3042 2.8051 2.8203 3.1280 3.1692 3.5840 3.6100 4.2398 4.2534 5.1781 5.2256 5.5008 5.5529 5.8177 5.8383 6.7555 6.7606 6.9603 6.9738 8.2465 8.2928 8.3917 8.4303 10.3413 10.3901 11.1285 11.2017 12.1470 12.2440 k = 0.4545 0.2624 0.2180 ( 4612 PWs) bands (ev): -5.0335 -5.0328 -4.8565 -4.8555 -4.6503 -4.6492 -0.2208 -0.2200 -0.1125 -0.1059 0.0115 0.0275 0.1171 0.1277 0.3269 0.3481 0.3928 0.4153 1.0327 1.0487 1.4418 1.4926 1.6284 1.6524 1.7103 1.7322 1.8398 1.8511 1.9281 1.9538 2.0004 2.0176 2.0962 2.1194 2.2676 2.2925 2.7985 2.8109 3.1115 3.1451 3.5900 3.6120 4.2432 4.2536 5.1743 5.2130 5.4987 5.5425 5.7832 5.8007 6.7501 6.7542 6.9682 6.9773 8.2491 8.2923 8.3679 8.4051 10.3478 10.3877 11.1490 11.2103 12.1222 12.2018 k = 0.4659 0.2690 0.2180 ( 4616 PWs) bands (ev): -5.0295 -5.0289 -4.8514 -4.8506 -4.6498 -4.6489 -0.2211 -0.2206 -0.1138 -0.1090 0.0139 0.0260 0.1184 0.1265 0.3391 0.3606 0.3892 0.4118 1.0276 1.0398 1.4498 1.4886 1.6338 1.6512 1.7162 1.7319 1.8452 1.8538 1.9316 1.9529 2.0031 2.0162 2.1120 2.1322 2.2570 2.2787 2.7939 2.8033 3.1001 3.1257 3.5942 3.6115 4.2489 4.2565 5.1724 5.2019 5.4980 5.5325 5.7555 5.7694 6.7458 6.7490 6.9742 6.9800 8.2547 8.2946 8.3472 8.3827 10.3531 10.3834 11.1697 11.2175 12.1033 12.1642 k = 0.4773 0.2756 0.2180 ( 4614 PWs) bands (ev): -5.0265 -5.0261 -4.8477 -4.8472 -4.6493 -4.6487 -0.2212 -0.2210 -0.1146 -0.1114 0.0163 0.0243 0.1197 0.1252 0.3503 0.3718 0.3845 0.4068 1.0245 1.0327 1.4575 1.4836 1.6385 1.6497 1.7211 1.7311 1.8497 1.8554 1.9356 1.9510 2.0056 2.0145 2.1274 2.1435 2.2469 2.2640 2.7911 2.7974 3.0935 3.1107 3.5973 3.6092 4.2551 4.2601 5.1724 5.1924 5.4992 5.5230 5.7357 5.7454 6.7429 6.7450 6.9785 6.9820 8.2629 8.2976 8.3312 8.3630 10.3579 10.3783 11.1888 11.2216 12.0915 12.1329 k = 0.4886 0.2821 0.2180 ( 4616 PWs) bands (ev): -5.0247 -5.0245 -4.8455 -4.8453 -4.6489 -4.6486 -0.2213 -0.2212 -0.1148 -0.1132 0.0185 0.0225 0.1211 0.1238 0.3605 0.3765 0.3839 0.4003 1.0234 1.0276 1.4647 1.4779 1.6423 1.6478 1.7249 1.7298 1.8530 1.8559 1.9399 1.9479 2.0080 2.0125 2.1409 2.1504 2.2406 2.2507 2.7902 2.7933 3.0914 3.1001 3.6001 3.6061 4.2601 4.2626 5.1745 5.1845 5.5023 5.5145 5.7246 5.7296 6.7413 6.7424 6.9813 6.9829 8.2731 8.2950 8.3258 8.3463 10.3626 10.3729 11.2046 11.2213 12.0882 12.1091 k = 0.5000 0.2887 0.2180 ( 4616 PWs) bands (ev): -5.0240 -5.0240 -4.8447 -4.8447 -4.6486 -4.6486 -0.2213 -0.2213 -0.1143 -0.1143 0.0206 0.0206 0.1225 0.1225 0.3694 0.3694 0.3925 0.3925 1.0245 1.0245 1.4715 1.4715 1.6454 1.6454 1.7278 1.7278 1.8551 1.8551 1.9441 1.9441 2.0103 2.0103 2.1496 2.1496 2.2418 2.2418 2.7909 2.7909 3.0936 3.0936 3.6030 3.6030 4.2627 4.2627 5.1785 5.1785 5.5074 5.5074 5.7226 5.7226 6.7411 6.7411 6.9827 6.9827 8.2847 8.2847 8.3330 8.3330 10.3676 10.3676 11.2156 11.2156 12.0940 12.0940 k = 0.5000 0.2887 0.2180 ( 4616 PWs) bands (ev): -5.0240 -5.0240 -4.8447 -4.8447 -4.6486 -4.6486 -0.2213 -0.2213 -0.1143 -0.1143 0.0206 0.0206 0.1225 0.1225 0.3694 0.3694 0.3925 0.3925 1.0245 1.0245 1.4715 1.4715 1.6454 1.6454 1.7278 1.7278 1.8551 1.8551 1.9441 1.9441 2.0103 2.0103 2.1496 2.1496 2.2418 2.2418 2.7909 2.7909 3.0936 3.0936 3.6030 3.6030 4.2627 4.2627 5.1785 5.1785 5.5074 5.5074 5.7226 5.7226 6.7411 6.7411 6.9827 6.9827 8.2847 8.2847 8.3330 8.3330 10.3676 10.3676 11.2156 11.2156 12.0940 12.0940 k = 0.4936 0.2998 0.2180 ( 4616 PWs) bands (ev): -5.0237 -5.0236 -4.8448 -4.8445 -4.6488 -4.6486 -0.2211 -0.2207 -0.1146 -0.1137 0.0197 0.0211 0.1221 0.1230 0.3688 0.3700 0.3911 0.3936 1.0236 1.0270 1.4684 1.4747 1.6434 1.6466 1.7263 1.7286 1.8540 1.8560 1.9426 1.9451 2.0086 2.0106 2.1501 2.1509 2.2409 2.2432 2.7887 2.7936 3.0936 3.0954 3.6023 3.6041 4.2617 4.2642 5.1736 5.1742 5.5011 5.5049 5.7203 5.7236 6.7383 6.7421 6.9861 6.9863 8.2853 8.2864 8.3343 8.3366 10.3729 10.3759 11.2066 11.2067 12.0928 12.1005 k = 0.4872 0.3109 0.2180 ( 4614 PWs) bands (ev): -5.0226 -5.0224 -4.8447 -4.8441 -4.6492 -4.6487 -0.2201 -0.2193 -0.1144 -0.1127 0.0186 0.0212 0.1220 0.1237 0.3681 0.3704 0.3895 0.3944 1.0242 1.0311 1.4653 1.4778 1.6410 1.6472 1.7239 1.7288 1.8527 1.8567 1.9409 1.9454 2.0058 2.0093 2.1525 2.1540 2.2407 2.2453 2.7871 2.7967 3.0953 3.0989 3.6019 3.6055 4.2611 4.2662 5.1596 5.1608 5.4859 5.4934 5.7174 5.7239 6.7336 6.7406 6.9961 6.9965 8.2886 8.2901 8.3410 8.3448 10.3917 10.3975 11.1806 11.1808 12.0966 12.1115 k = 0.4808 0.3220 0.2180 ( 4610 PWs) bands (ev): -5.0207 -5.0205 -4.8445 -4.8437 -4.6498 -4.6491 -0.2182 -0.2172 -0.1137 -0.1113 0.0171 0.0210 0.1220 0.1246 0.3672 0.3708 0.3877 0.3950 1.0265 1.0367 1.4623 1.4809 1.6381 1.6469 1.7208 1.7285 1.8513 1.8571 1.9391 1.9447 2.0027 2.0066 2.1565 2.1586 2.2409 2.2479 2.7859 2.8004 3.0987 3.1039 3.6018 3.6072 4.2610 4.2687 5.1374 5.1394 5.4622 5.4730 5.7148 5.7242 6.7261 6.7356 7.0112 7.0122 8.2950 8.2962 8.3540 8.3583 10.4232 10.4314 11.1394 11.1403 12.1048 12.1260 k = 0.4744 0.3331 0.2180 ( 4602 PWs) bands (ev): -5.0181 -5.0178 -4.8443 -4.8431 -4.6505 -4.6496 -0.2155 -0.2143 -0.1127 -0.1095 0.0153 0.0204 0.1223 0.1256 0.3662 0.3711 0.3858 0.3954 1.0304 1.0439 1.4593 1.4839 1.6348 1.6457 1.7168 1.7278 1.8497 1.8573 1.9373 1.9427 1.9998 2.0027 2.1617 2.1644 2.2417 2.2508 2.7853 2.8045 3.1036 3.1104 3.6016 3.6090 4.2611 4.2716 5.1082 5.1113 5.4306 5.4439 5.7135 5.7256 6.7146 6.7258 7.0297 7.0314 8.3052 8.3056 8.3740 8.3778 10.4659 10.4758 11.0860 11.0883 12.1162 12.1430 k = 0.4679 0.3442 0.2180 ( 4610 PWs) bands (ev): -5.0148 -5.0144 -4.8439 -4.8424 -4.6514 -4.6503 -0.2121 -0.2108 -0.1112 -0.1075 0.0132 0.0195 0.1229 0.1267 0.3650 0.3712 0.3837 0.3954 1.0359 1.0526 1.4563 1.4867 1.6311 1.6433 1.7120 1.7270 1.8482 1.8571 1.9355 1.9393 1.9977 1.9982 2.1679 2.1711 2.2427 2.2541 2.7852 2.8092 3.1099 3.1181 3.6013 3.6106 4.2614 4.2748 5.0737 5.0779 5.3919 5.4071 5.7144 5.7286 6.6979 6.7099 7.0493 7.0520 8.3196 8.3203 8.4012 8.4039 10.5178 10.5284 11.0241 11.0287 12.1299 12.1615 k = 0.4615 0.3553 0.2180 ( 4614 PWs) bands (ev): -5.0108 -5.0103 -4.8434 -4.8417 -4.6525 -4.6511 -0.2079 -0.2067 -0.1092 -0.1051 0.0109 0.0183 0.1238 0.1280 0.3636 0.3712 0.3816 0.3952 1.0429 1.0627 1.4535 1.4893 1.6271 1.6396 1.7066 1.7262 1.8466 1.8565 1.9337 1.9347 1.9933 1.9967 2.1746 2.1783 2.2439 2.2575 2.7858 2.8143 3.1175 3.1269 3.6004 3.6117 4.2618 4.2781 5.0358 5.0414 5.3478 5.3641 5.7176 5.7337 6.6748 6.6868 7.0678 7.0715 8.3396 8.3411 8.4357 8.4371 10.5755 10.5850 10.9585 10.9670 12.1450 12.1808 k = 0.4551 0.3664 0.2180 ( 4612 PWs) bands (ev): -5.0061 -5.0056 -4.8428 -4.8409 -4.6536 -4.6521 -0.2031 -0.2021 -0.1069 -0.1026 0.0084 0.0169 0.1250 0.1295 0.3619 0.3711 0.3796 0.3948 1.0514 1.0741 1.4507 1.4916 1.6228 1.6346 1.7005 1.7258 1.8452 1.8555 1.9291 1.9317 1.9887 1.9968 2.1816 2.1860 2.2452 2.2608 2.7871 2.8201 3.1259 3.1364 3.5986 3.6119 4.2620 4.2814 4.9964 5.0035 5.2998 5.3165 5.7231 5.7406 6.6446 6.6560 7.0833 7.0880 8.3663 8.3682 8.4777 8.4778 10.6310 10.6362 10.8979 10.9132 12.1607 12.2004 k = 0.4487 0.3775 0.2180 ( 4604 PWs) bands (ev): -5.0008 -5.0002 -4.8423 -4.8400 -4.6549 -4.6532 -0.1976 -0.1971 -0.1041 -0.0998 0.0057 0.0152 0.1265 0.1312 0.3598 0.3707 0.3777 0.3942 1.0614 1.0869 1.4480 1.4935 1.6184 1.6283 1.6940 1.7258 1.8439 1.8540 1.9231 1.9294 1.9846 1.9980 2.1887 2.1939 2.2463 2.2640 2.7891 2.8264 3.1350 3.1462 3.5954 3.6107 4.2620 4.2844 4.9576 4.9662 5.2494 5.2661 5.7303 5.7490 6.6074 6.6176 7.0940 7.0997 8.4000 8.4019 8.5255 8.5270 10.6589 10.6615 10.8661 10.8911 12.1765 12.2201 k = 0.4423 0.3886 0.2180 ( 4600 PWs) bands (ev): -4.9949 -4.9942 -4.8416 -4.8392 -4.6563 -4.6544 -0.1919 -0.1916 -0.1010 -0.0969 0.0029 0.0133 0.1285 0.1331 0.3572 0.3702 0.3760 0.3933 1.0728 1.1010 1.4454 1.4947 1.6136 1.6206 1.6873 1.7263 1.8428 1.8520 1.9170 1.9265 1.9817 2.0001 2.1957 2.2017 2.2472 2.2669 2.7919 2.8332 3.1443 3.1561 3.5903 3.6076 4.2617 4.2871 4.9211 4.9312 5.1982 5.2145 5.7388 5.7586 6.5636 6.5724 7.0987 7.1054 8.4403 8.4419 8.5802 8.5829 10.6315 10.6361 10.8940 10.9224 12.1918 12.2393 k = 0.4359 0.3997 0.2180 ( 4616 PWs) bands (ev): -4.9885 -4.9877 -4.8411 -4.8384 -4.6578 -4.6557 -0.1864 -0.1851 -0.0975 -0.0939 0.0000 0.0112 0.1309 0.1354 0.3542 0.3693 0.3746 0.3923 1.0856 1.1162 1.4429 1.4953 1.6086 1.6116 1.6807 1.7274 1.8419 1.8493 1.9111 1.9231 1.9800 2.0031 2.2024 2.2094 2.2479 2.2693 2.7955 2.8407 3.1536 3.1655 3.5829 3.6020 4.2612 4.2892 4.8887 4.9000 5.1477 5.1632 5.7477 5.7684 6.5145 6.5216 7.0967 7.1041 8.4866 8.4876 8.6409 8.6447 10.5735 10.5753 10.9617 10.9880 12.2063 12.2577 k = 0.4295 0.4108 0.2180 ( 4616 PWs) bands (ev): -4.9815 -4.9807 -4.8405 -4.8377 -4.6593 -4.6571 -0.1810 -0.1783 -0.0938 -0.0909 -0.0029 0.0090 0.1337 0.1380 0.3507 0.3681 0.3734 0.3912 1.0997 1.1324 1.4405 1.4951 1.6016 1.6030 1.6745 1.7291 1.8413 1.8460 1.9056 1.9189 1.9797 2.0068 2.2087 2.2166 2.2484 2.2714 2.8000 2.8489 3.1624 3.1740 3.5728 3.5936 4.2606 4.2908 4.8616 4.8737 5.0990 5.1134 5.7559 5.7775 6.4617 6.4671 7.0877 7.0957 8.5380 8.5380 8.7067 8.7113 10.5046 10.5057 11.0436 11.0670 12.2195 12.2747 k = 0.4231 0.4219 0.2180 ( 4616 PWs) bands (ev): -4.9741 -4.9733 -4.8401 -4.8371 -4.6609 -4.6586 -0.1755 -0.1712 -0.0900 -0.0879 -0.0059 0.0067 0.1372 0.1411 0.3467 0.3665 0.3723 0.3901 1.1149 1.1496 1.4382 1.4939 1.5907 1.5967 1.6693 1.7313 1.8409 1.8422 1.9007 1.9143 1.9809 2.0113 2.2143 2.2228 2.2490 2.2730 2.8054 2.8577 3.1703 3.1813 3.5595 3.5818 4.2603 4.2920 4.8408 4.8530 5.0535 5.0666 5.7621 5.7843 6.4076 6.4113 7.0717 7.0802 8.5921 8.5932 8.7760 8.7814 10.4329 10.4366 11.1310 11.1511 12.2307 12.2895 k = 0.4167 0.4330 0.2180 ( 4600 PWs) bands (ev): -4.9664 -4.9654 -4.8397 -4.8366 -4.6624 -4.6601 -0.1702 -0.1639 -0.0862 -0.0850 -0.0088 0.0044 0.1412 0.1448 0.3424 0.3644 0.3715 0.3889 1.1312 1.1676 1.4360 1.4917 1.5790 1.5895 1.6655 1.7341 1.8378 1.8408 1.8963 1.9092 1.9833 2.0164 2.2191 2.2274 2.2504 2.2742 2.8117 2.8671 3.1769 3.1867 3.5430 3.5665 4.2607 4.2931 4.8268 4.8382 5.0122 5.0236 5.7642 5.7866 6.3550 6.3573 7.0490 7.0578 8.6488 8.6512 8.8474 8.8532 10.3637 10.3698 11.2202 11.2365 12.2396 12.3013 k = 0.4103 0.4441 0.2180 ( 4604 PWs) bands (ev): -4.9583 -4.9573 -4.8395 -4.8363 -4.6640 -4.6616 -0.1651 -0.1566 -0.0825 -0.0823 -0.0116 0.0020 0.1459 0.1491 0.3378 0.3619 0.3707 0.3878 1.1485 1.1862 1.4339 1.4884 1.5668 1.5811 1.6634 1.7375 1.8330 1.8409 1.8924 1.9041 1.9870 2.0222 2.2227 2.2293 2.2532 2.2752 2.8191 2.8771 3.1820 3.1901 3.5233 3.5476 4.2622 4.2944 4.8195 4.8293 4.9762 4.9855 5.7594 5.7816 6.3074 6.3088 7.0200 7.0291 8.7068 8.7107 8.9190 8.9252 10.2992 10.3074 11.3093 11.3212 12.2454 12.3089 k = 0.4038 0.4552 0.2180 ( 4610 PWs) bands (ev): -4.9500 -4.9489 -4.8396 -4.8363 -4.6655 -4.6631 -0.1603 -0.1492 -0.0798 -0.0791 -0.0142 -0.0004 0.1512 0.1540 0.3328 0.3590 0.3700 0.3866 1.1666 1.2053 1.4319 1.4842 1.5541 1.5714 1.6630 1.7412 1.8280 1.8413 1.8890 1.8989 1.9917 2.0286 2.2249 2.2286 2.2575 2.2762 2.8275 2.8878 3.1853 3.1911 3.5007 3.5254 4.2652 4.2963 4.8187 4.8258 4.9464 4.9532 5.7448 5.7657 6.2689 6.2700 6.9855 6.9947 8.7654 8.7707 8.9887 8.9952 10.2408 10.2511 11.3969 11.4037 12.2478 12.3110 k = 0.3974 0.4663 0.2180 ( 4606 PWs) bands (ev): -4.9415 -4.9404 -4.8399 -4.8366 -4.6669 -4.6646 -0.1558 -0.1419 -0.0775 -0.0763 -0.0166 -0.0027 0.1572 0.1597 0.3276 0.3556 0.3694 0.3854 1.1854 1.2248 1.4300 1.4790 1.5411 1.5607 1.6644 1.7454 1.8227 1.8418 1.8858 1.8938 1.9974 2.0356 2.2254 2.2260 2.2625 2.2775 2.8368 2.8989 3.1867 3.1895 3.4757 3.5003 4.2698 4.2992 4.8237 4.8269 4.9236 4.9273 5.7176 5.7365 6.2426 6.2445 6.9460 6.9553 8.8233 8.8302 9.0545 9.0612 10.1901 10.2021 11.4817 11.4830 12.2461 12.3064 k = 0.3910 0.4774 0.2180 ( 4610 PWs) bands (ev): -4.9330 -4.9317 -4.8404 -4.8372 -4.6683 -4.6660 -0.1517 -0.1347 -0.0756 -0.0740 -0.0187 -0.0051 0.1638 0.1661 0.3223 0.3519 0.3688 0.3842 1.2048 1.2443 1.4283 1.4730 1.5280 1.5491 1.6673 1.7499 1.8173 1.8426 1.8828 1.8889 2.0040 2.0430 2.2221 2.2241 2.2676 2.2790 2.8472 2.9104 3.1854 3.1862 3.4488 3.4729 4.2760 4.3032 4.8316 4.8337 4.9085 4.9089 5.6770 5.6931 6.2301 6.2333 6.9024 6.9117 8.8799 8.8883 9.1140 9.1212 10.1482 10.1616 11.5582 11.5627 12.2399 12.2942 k = 0.3846 0.4885 0.2180 ( 4608 PWs) bands (ev): -4.9244 -4.9230 -4.8413 -4.8381 -4.6695 -4.6674 -0.1479 -0.1277 -0.0741 -0.0725 -0.0204 -0.0073 0.1709 0.1731 0.3168 0.3479 0.3682 0.3828 1.2245 1.2637 1.4267 1.4662 1.5150 1.5368 1.6714 1.7547 1.8118 1.8436 1.8801 1.8842 2.0114 2.0510 2.2173 2.2209 2.2723 2.2809 2.8584 2.9221 3.1793 3.1841 3.4208 3.4440 4.2837 4.3082 4.8388 4.8475 4.8975 4.9030 5.6245 5.6375 6.2305 6.2352 6.8554 6.8646 8.9343 8.9443 9.1651 9.1730 10.1162 10.1306 11.6287 11.6389 12.2292 12.2741 k = 0.3782 0.4996 0.2180 ( 4608 PWs) bands (ev): -4.9159 -4.9145 -4.8426 -4.8395 -4.6705 -4.6686 -0.1445 -0.1210 -0.0728 -0.0718 -0.0217 -0.0095 0.1785 0.1807 0.3113 0.3438 0.3676 0.3814 1.2445 1.2828 1.4254 1.4588 1.5022 1.5241 1.6764 1.7596 1.8064 1.8447 1.8775 1.8798 2.0196 2.0592 2.2118 2.2162 2.2765 2.2829 2.8703 2.9334 3.1718 3.1808 3.3925 3.4143 4.2925 4.3142 4.8479 4.8635 4.8955 4.9060 5.5627 5.5727 6.2415 6.2476 6.8060 6.8151 8.9858 8.9972 9.2059 9.2150 10.0948 10.1095 11.6939 11.7094 12.2138 12.2470 k = 0.3718 0.5107 0.2180 ( 4604 PWs) bands (ev): -4.9075 -4.9060 -4.8443 -4.8413 -4.6715 -4.6697 -0.1415 -0.1146 -0.0719 -0.0719 -0.0226 -0.0116 0.1862 0.1885 0.3059 0.3395 0.3671 0.3798 1.2645 1.3011 1.4242 1.4509 1.4898 1.5112 1.6820 1.7644 1.8011 1.8460 1.8750 1.8757 2.0282 2.0676 2.2060 2.2102 2.2801 2.2849 2.8828 2.9439 3.1641 3.1770 3.3644 3.3845 4.3020 4.3206 4.8592 4.8784 4.9048 4.9168 5.4946 5.5018 6.2608 6.2678 6.7551 6.7641 9.0338 9.0466 9.2353 9.2461 10.0838 10.0981 11.7535 11.7735 12.1943 12.2147 k = 0.3654 0.5218 0.2180 ( 4600 PWs) bands (ev): -4.8995 -4.8979 -4.8464 -4.8436 -4.6722 -4.6707 -0.1390 -0.1085 -0.0728 -0.0713 -0.0231 -0.0136 0.1940 0.1963 0.3008 0.3354 0.3666 0.3780 1.2843 1.3183 1.4235 1.4425 1.4781 1.4984 1.6880 1.7691 1.7960 1.8474 1.8719 1.8726 2.0373 2.0759 2.2002 2.2035 2.2828 2.2866 2.8956 2.9526 3.1575 3.1735 3.3371 3.3554 4.3118 4.3272 4.8740 4.8924 4.9247 4.9336 5.4225 5.4273 6.2862 6.2936 6.7035 6.7124 9.0776 9.0917 9.2533 9.2664 10.0820 10.0950 11.8075 11.8303 12.1717 12.1797 k = 0.3590 0.5329 0.2180 ( 4596 PWs) bands (ev): -4.8918 -4.8900 -4.8489 -4.8465 -4.6728 -4.6716 -0.1369 -0.1028 -0.0744 -0.0710 -0.0232 -0.0155 0.2014 0.2037 0.2961 0.3316 0.3662 0.3761 1.3036 1.3337 1.4235 1.4337 1.4674 1.4858 1.6939 1.7733 1.7912 1.8488 1.8687 1.8704 2.0462 2.0837 2.1945 2.1966 2.2848 2.2879 2.9082 2.9585 3.1539 3.1711 3.3114 3.3274 4.3212 4.3335 4.8932 4.9095 4.9500 4.9544 5.3486 5.3512 6.3160 6.3235 6.6523 6.6611 9.1170 9.1321 9.2607 9.2769 10.0870 10.0982 11.8556 11.8791 12.1445 12.1474 k = 0.3526 0.5440 0.2180 ( 4600 PWs) bands (ev): -4.8845 -4.8827 -4.8519 -4.8498 -4.6732 -4.6723 -0.1353 -0.0976 -0.0765 -0.0708 -0.0231 -0.0173 0.2079 0.2101 0.2922 0.3284 0.3660 0.3741 1.3219 1.3463 1.4246 1.4249 1.4580 1.4737 1.6993 1.7769 1.7870 1.8502 1.8660 1.8683 2.0545 2.0908 2.1895 2.1901 2.2860 2.2886 2.9201 2.9608 3.1544 3.1708 3.2879 3.3014 4.3298 4.3388 4.9172 4.9314 4.9778 4.9780 5.2745 5.2752 6.3489 6.3560 6.6026 6.6115 9.1513 9.1670 9.2595 9.2792 10.0959 10.1047 11.8978 11.9191 12.1111 12.1232 k = 0.3462 0.5551 0.2180 ( 4604 PWs) bands (ev): -4.8780 -4.8759 -4.8553 -4.8536 -4.6734 -4.6728 -0.1341 -0.0928 -0.0790 -0.0708 -0.0227 -0.0189 0.2133 0.2150 0.2893 0.3260 0.3661 0.3719 1.3385 1.3550 1.4165 1.4278 1.4503 1.4625 1.7038 1.7796 1.7837 1.8514 1.8641 1.8665 2.0615 2.0964 2.1849 2.1855 2.2867 2.2888 2.9309 2.9592 3.1592 3.1729 3.2678 3.2783 4.3369 4.3429 4.9457 4.9579 5.0021 5.0073 5.2013 5.2020 6.3836 6.3897 6.5558 6.5650 9.1803 9.1958 9.2516 9.2757 10.1057 10.1117 11.9333 11.9493 12.0816 12.1015 k = 0.3397 0.5662 0.2180 ( 4606 PWs) bands (ev): -4.8725 -4.8699 -4.8588 -4.8577 -4.6735 -4.6732 -0.1334 -0.0886 -0.0819 -0.0709 -0.0221 -0.0202 0.2169 0.2179 0.2877 0.3247 0.3667 0.3698 1.3517 1.3590 1.4099 1.4335 1.4448 1.4524 1.7069 1.7812 1.7818 1.8521 1.8633 1.8650 2.0661 2.1000 2.1818 2.1828 2.2870 2.2883 2.9402 2.9545 3.1660 3.1767 3.2537 3.2600 4.3421 4.3450 4.9784 4.9879 5.0229 5.0348 5.1347 5.1352 6.4178 6.4216 6.5144 6.5249 9.2036 9.2169 9.2390 9.2696 10.1136 10.1167 11.9603 11.9679 12.0589 12.0857 k = 0.3333 0.5774 0.2180 ( 4614 PWs) bands (ev): -4.8698 -4.8664 -4.8607 -4.8607 -4.6734 -4.6734 -0.1332 -0.0850 -0.0850 -0.0709 -0.0213 -0.0213 0.2185 0.2185 0.2872 0.3243 0.3680 0.3680 1.3584 1.3584 1.4075 1.4382 1.4445 1.4445 1.7079 1.7814 1.7814 1.8523 1.8638 1.8638 2.0677 2.1012 2.1814 2.1814 2.2876 2.2876 2.9480 2.9480 3.1696 3.1792 3.2502 3.2502 4.3449 4.3449 5.0113 5.0113 5.0182 5.0438 5.1009 5.1009 6.4387 6.4387 6.4915 6.5045 9.2181 9.2264 9.2264 9.2661 10.1176 10.1176 11.9726 11.9726 12.0495 12.0798 k = 0.3333 0.5774 0.2180 ( 4614 PWs) bands (ev): -4.8698 -4.8664 -4.8607 -4.8607 -4.6734 -4.6734 -0.1332 -0.0850 -0.0850 -0.0709 -0.0213 -0.0213 0.2185 0.2185 0.2872 0.3243 0.3680 0.3680 1.3584 1.3584 1.4075 1.4382 1.4445 1.4445 1.7079 1.7814 1.7814 1.8523 1.8638 1.8638 2.0677 2.1012 2.1814 2.1814 2.2876 2.2876 2.9480 2.9480 3.1696 3.1792 3.2502 3.2502 4.3449 4.3449 5.0113 5.0113 5.0182 5.0438 5.1009 5.1009 6.4387 6.4387 6.4915 6.5045 9.2181 9.2264 9.2264 9.2661 10.1176 10.1176 11.9726 11.9726 12.0495 12.0798 k = 0.3268 0.5660 0.2180 ( 4606 PWs) bands (ev): -4.8725 -4.8700 -4.8586 -4.8579 -4.6735 -4.6732 -0.1334 -0.0883 -0.0822 -0.0709 -0.0221 -0.0203 0.2169 0.2179 0.2875 0.3245 0.3667 0.3700 1.3546 1.3567 1.4085 1.4367 1.4412 1.4538 1.7068 1.7801 1.7828 1.8522 1.8631 1.8651 2.0661 2.1000 2.1807 2.1834 2.2869 2.2889 2.9408 2.9544 3.1655 3.1755 3.2540 3.2614 4.3419 4.3449 4.9604 4.9696 5.0540 5.0681 5.1182 5.1238 6.4201 6.4216 6.5137 6.5237 9.2037 9.2215 9.2351 9.2692 10.1131 10.1163 11.9642 11.9658 12.0583 12.0853 k = 0.3203 0.5547 0.2180 ( 4600 PWs) bands (ev): -4.8778 -4.8760 -4.8554 -4.8542 -4.6735 -4.6728 -0.1341 -0.0917 -0.0803 -0.0705 -0.0224 -0.0190 0.2136 0.2154 0.2878 0.3245 0.3666 0.3730 1.3488 1.3494 1.4069 1.4353 1.4460 1.4647 1.7037 1.7774 1.7855 1.8522 1.8629 1.8669 2.0617 2.0968 2.1798 2.1866 2.2871 2.2916 2.9343 2.9598 3.1561 3.1660 3.2709 3.2841 4.3359 4.3417 4.8966 4.9075 5.0938 5.1063 5.1521 5.1606 6.3923 6.3946 6.5510 6.5583 9.1846 9.2088 9.2419 9.2733 10.1027 10.1089 11.9478 11.9484 12.0769 12.0992 k = 0.3137 0.5434 0.2180 ( 4596 PWs) bands (ev): -4.8843 -4.8828 -4.8527 -4.8513 -4.6732 -4.6723 -0.1353 -0.0952 -0.0794 -0.0700 -0.0222 -0.0176 0.2091 0.2110 0.2875 0.3235 0.3681 0.3769 1.3397 1.3421 1.4015 1.4346 1.4569 1.4756 1.6990 1.7732 1.7891 1.8525 1.8634 1.8687 2.0555 2.0920 2.1776 2.1891 2.2893 2.2964 2.9292 2.9647 3.1453 3.1549 3.2961 3.3137 4.3269 4.3354 4.8342 4.8463 5.1328 5.1456 5.1931 5.2027 6.3682 6.3706 6.5904 6.5957 9.1650 9.1935 9.2435 9.2743 10.0863 10.0955 11.9276 11.9279 12.0988 12.1184 k = 0.3072 0.5321 0.2180 ( 4592 PWs) bands (ev): -4.8914 -4.8903 -4.8509 -4.8493 -4.6729 -4.6717 -0.1369 -0.0986 -0.0793 -0.0695 -0.0214 -0.0159 0.2037 0.2054 0.2863 0.3210 0.3711 0.3814 1.3294 1.3353 1.3945 1.4346 1.4701 1.4860 1.6932 1.7679 1.7930 1.8530 1.8647 1.8704 2.0483 2.0862 2.1735 2.1892 2.2942 2.3032 2.9260 2.9694 3.1352 3.1445 3.3265 3.3476 4.3149 4.3262 4.7755 4.7886 5.1701 5.1841 5.2400 5.2494 6.3500 6.3519 6.6297 6.6332 9.1457 9.1775 9.2404 9.2711 10.0644 10.0764 11.9053 11.9067 12.1223 12.1417 k = 0.3007 0.5207 0.2180 ( 4592 PWs) bands (ev): -4.8993 -4.8984 -4.8501 -4.8485 -4.6724 -4.6709 -0.1389 -0.1020 -0.0798 -0.0692 -0.0202 -0.0141 0.1980 0.1988 0.2841 0.3170 0.3753 0.3864 1.3191 1.3287 1.3873 1.4350 1.4838 1.4958 1.6867 1.7616 1.7968 1.8537 1.8667 1.8716 2.0407 2.0796 2.1676 2.1861 2.3020 2.3118 2.9249 2.9743 3.1265 3.1358 3.3601 3.3842 4.3005 4.3146 4.7215 4.7352 5.2059 5.2213 5.2913 5.3001 6.3380 6.3394 6.6680 6.6697 9.1270 9.1616 9.2332 9.2640 10.0380 10.0526 11.8824 11.8854 12.1471 12.1682 k = 0.2941 0.5094 0.2180 ( 4588 PWs) bands (ev): -4.9077 -4.9071 -4.8505 -4.8488 -4.6718 -4.6701 -0.1413 -0.1053 -0.0807 -0.0691 -0.0184 -0.0121 0.1916 0.1919 0.2808 0.3117 0.3801 0.3914 1.3092 1.3226 1.3800 1.4357 1.4973 1.5046 1.6798 1.7546 1.8002 1.8545 1.8694 1.8723 2.0331 2.0727 2.1601 2.1799 2.3122 2.3218 2.9260 2.9795 3.1199 3.1294 3.3953 3.4222 4.2846 4.3015 4.6729 4.6869 5.2407 5.2577 5.3460 5.3539 6.3321 6.3329 6.7046 6.7047 9.1093 9.1465 9.2226 9.2537 10.0080 10.0249 11.8592 11.8645 12.1728 12.1972 k = 0.2876 0.4981 0.2180 ( 4588 PWs) bands (ev): -4.9169 -4.9164 -4.8521 -4.8503 -4.6711 -4.6691 -0.1440 -0.1084 -0.0822 -0.0691 -0.0163 -0.0099 0.1841 0.1858 0.2768 0.3055 0.3849 0.3961 1.3001 1.3173 1.3728 1.4366 1.5102 1.5125 1.6730 1.7473 1.8031 1.8553 1.8724 1.8727 2.0259 2.0654 2.1513 2.1714 2.3236 2.3325 2.9291 2.9851 3.1155 3.1254 3.4306 3.4605 4.2684 4.2882 4.6303 4.6441 5.2752 5.2934 5.4030 5.4101 6.3321 6.3323 6.7372 6.7392 9.0928 9.1323 9.2095 9.2408 9.9755 9.9945 11.8360 11.8441 12.1990 12.2279 k = 0.2810 0.4868 0.2180 ( 4584 PWs) bands (ev): -4.9266 -4.9263 -4.8550 -4.8531 -4.6702 -4.6681 -0.1470 -0.1115 -0.0841 -0.0691 -0.0139 -0.0077 0.1763 0.1797 0.2720 0.2983 0.3893 0.4003 1.2920 1.3129 1.3659 1.4377 1.5192 1.5222 1.6665 1.7398 1.8053 1.8560 1.8719 1.8765 2.0191 2.0580 2.1418 2.1613 2.3352 2.3433 2.9341 2.9912 3.1136 3.1238 3.4644 3.4976 4.2537 4.2765 4.5941 4.6072 5.3094 5.3288 5.4617 5.4681 6.3370 6.3375 6.7671 6.7709 9.0779 9.1195 9.1949 9.2263 9.9414 9.9622 11.8130 11.8244 12.2251 12.2597 k = 0.2745 0.4755 0.2180 ( 4584 PWs) bands (ev): -4.9369 -4.9368 -4.8591 -4.8572 -4.6692 -4.6670 -0.1502 -0.1143 -0.0864 -0.0691 -0.0113 -0.0053 0.1686 0.1737 0.2666 0.2906 0.3932 0.4038 1.2848 1.3093 1.3591 1.4389 1.5249 1.5332 1.6607 1.7324 1.8071 1.8565 1.8710 1.8804 2.0128 2.0504 2.1318 2.1503 2.3463 2.3536 2.9407 2.9979 3.1145 3.1248 3.4949 3.5316 4.2424 4.2684 4.5648 4.5767 5.3436 5.3641 5.5215 5.5272 6.3465 6.3474 6.7935 6.7992 9.0648 9.1083 9.1797 9.2111 9.9067 9.9290 11.7904 11.8053 12.2504 12.2920 k = 0.2680 0.4641 0.2180 ( 4592 PWs) bands (ev): -4.9478 -4.9478 -4.8645 -4.8626 -4.6681 -4.6657 -0.1536 -0.1171 -0.0893 -0.0691 -0.0085 -0.0028 0.1610 0.1678 0.2607 0.2823 0.3962 0.4063 1.2788 1.3067 1.3525 1.4400 1.5295 1.5428 1.6559 1.7255 1.8084 1.8562 1.8699 1.8843 2.0070 2.0428 2.1216 2.1387 2.3560 2.3628 2.9486 3.0053 3.1184 3.1284 3.5201 3.5606 4.2371 4.2661 4.5429 4.5528 5.3779 5.3995 5.5820 5.5872 6.3601 6.3612 6.8161 6.8236 9.0538 9.0989 9.1649 9.1962 9.8722 9.8958 11.7683 11.7871 12.2739 12.3242 k = 0.2614 0.4528 0.2180 ( 4580 PWs) bands (ev): -4.9594 -4.9593 -4.8713 -4.8693 -4.6669 -4.6644 -0.1571 -0.1197 -0.0925 -0.0690 -0.0057 -0.0003 0.1537 0.1622 0.2544 0.2735 0.3983 0.4078 1.2739 1.3051 1.3461 1.4410 1.5330 1.5506 1.6527 1.7191 1.8092 1.8548 1.8692 1.8879 2.0017 2.0351 2.1115 2.1271 2.3638 2.3705 2.9575 3.0133 3.1256 3.1345 3.5383 3.5826 4.2400 4.2717 4.5287 4.5361 5.4122 5.4349 5.6429 5.6475 6.3769 6.3781 6.8344 6.8436 9.0450 9.0916 9.1515 9.1824 9.8386 9.8632 11.7468 11.7695 12.2949 12.3557 k = 0.2549 0.4415 0.2180 ( 4576 PWs) bands (ev): -4.9715 -4.9714 -4.8794 -4.8773 -4.6655 -4.6629 -0.1607 -0.1221 -0.0961 -0.0689 -0.0029 0.0022 0.1467 0.1567 0.2479 0.2645 0.3993 0.4080 1.2702 1.3043 1.3398 1.4419 1.5353 1.5563 1.6515 1.7135 1.8097 1.8518 1.8692 1.8912 1.9967 2.0276 2.1015 2.1155 2.3692 2.3761 2.9671 3.0222 3.1363 3.1433 3.5483 3.5961 4.2532 4.2867 4.5225 4.5269 5.4465 5.4705 5.7036 5.7079 6.3962 6.3973 6.8479 6.8588 9.0389 9.0867 9.1402 9.1707 9.8065 9.8318 11.7262 11.7529 12.3124 12.3859 k = 0.2484 0.4302 0.2180 ( 4582 PWs) bands (ev): -4.9842 -4.9840 -4.8887 -4.8867 -4.6640 -4.6614 -0.1642 -0.1244 -0.1001 -0.0688 -0.0001 0.0047 0.1402 0.1513 0.2413 0.2551 0.3992 0.4071 1.2677 1.3044 1.3336 1.4426 1.5366 1.5596 1.6528 1.7090 1.8099 1.8476 1.8698 1.8939 1.9920 2.0201 2.0918 2.1042 2.3719 2.3793 2.9770 3.0320 3.1508 3.1549 3.5499 3.6005 4.2775 4.3117 4.5248 4.5253 5.4808 5.5061 5.7640 5.7680 6.4173 6.4179 6.8564 6.8686 9.0357 9.0844 9.1318 9.1618 9.7763 9.8021 11.7066 11.7371 12.3255 12.4140 k = 0.2418 0.4189 0.2180 ( 4588 PWs) bands (ev): -4.9973 -4.9971 -4.8994 -4.8973 -4.6624 -4.6597 -0.1678 -0.1266 -0.1043 -0.0687 0.0026 0.0072 0.1343 0.1462 0.2345 0.2456 0.3980 0.4049 1.2663 1.3052 1.3274 1.4430 1.5368 1.5606 1.6565 1.7055 1.8096 1.8423 1.8708 1.8960 1.9876 2.0129 2.0823 2.0933 2.3716 2.3797 2.9871 3.0425 3.1691 3.1695 3.5438 3.5966 4.3124 4.3459 4.5317 4.5356 5.5150 5.5418 5.8237 5.8276 6.4394 6.4395 6.8595 6.8731 9.0357 9.0850 9.1268 9.1561 9.7484 9.7744 11.6881 11.7223 12.3337 12.4392 k = 0.2353 0.4075 0.2180 ( 4590 PWs) bands (ev): -5.0109 -5.0106 -4.9112 -4.9091 -4.6606 -4.6579 -0.1713 -0.1287 -0.1088 -0.0689 0.0052 0.0097 0.1289 0.1412 0.2278 0.2359 0.3956 0.4013 1.2658 1.3065 1.3214 1.4431 1.5362 1.5596 1.6622 1.7032 1.8091 1.8362 1.8718 1.8973 1.9833 2.0060 2.0733 2.0829 2.3683 2.3772 2.9971 3.0536 3.1872 3.1913 3.5317 3.5861 4.3566 4.3880 4.5460 4.5553 5.5490 5.5774 5.8824 5.8864 6.4611 6.4622 6.8574 6.8719 9.0390 9.0886 9.1256 9.1541 9.7230 9.7489 11.6710 11.7087 12.3364 12.4601 k = 0.2288 0.3962 0.2180 ( 4586 PWs) bands (ev): -5.0250 -5.0247 -4.9242 -4.9221 -4.6587 -4.6560 -0.1747 -0.1306 -0.1134 -0.0692 0.0077 0.0120 0.1240 0.1363 0.2212 0.2262 0.3921 0.3966 1.2660 1.3082 1.3156 1.4430 1.5348 1.5572 1.6695 1.7021 1.8081 1.8297 1.8729 1.8980 1.9791 1.9993 2.0646 2.0730 2.3620 2.3716 3.0068 3.0650 3.2083 3.2172 3.5157 3.5714 4.4079 4.4360 4.5686 4.5842 5.5826 5.6129 5.9399 5.9440 6.4825 6.4848 6.8500 6.8652 9.0460 9.0954 9.1283 9.1560 9.7003 9.7259 11.6555 11.6965 12.3334 12.4751 k = 0.2222 0.3849 0.2180 ( 4594 PWs) bands (ev): -5.0395 -5.0392 -4.9384 -4.9362 -4.6566 -4.6539 -0.1781 -0.1324 -0.1182 -0.0698 0.0101 0.0143 0.1198 0.1315 0.2147 0.2166 0.3875 0.3905 1.2666 1.3099 1.3103 1.4426 1.5329 1.5540 1.6777 1.7021 1.8067 1.8227 1.8737 1.8979 1.9751 1.9928 2.0563 2.0635 2.3530 2.3632 3.0159 3.0760 3.2327 3.2466 3.4980 3.5546 4.4641 4.4877 4.5995 4.6224 5.6159 5.6481 5.9958 6.0003 6.5032 6.5070 6.8376 6.8532 9.0567 9.1056 9.1348 9.1618 9.6804 9.7053 11.6417 11.6857 12.3250 12.4822 k = 0.2157 0.3736 0.2180 ( 4598 PWs) bands (ev): -5.0543 -5.0540 -4.9536 -4.9514 -4.6544 -4.6518 -0.1813 -0.1340 -0.1232 -0.0707 0.0124 0.0164 0.1161 0.1267 0.2072 0.2085 0.3819 0.3833 1.2667 1.3061 1.3113 1.4421 1.5308 1.5504 1.6866 1.7031 1.8049 1.8156 1.8743 1.8973 1.9711 1.9866 2.0485 2.0544 2.3415 2.3521 3.0240 3.0861 3.2604 3.2793 3.4809 3.5381 4.5231 4.5415 4.6391 4.6696 5.6486 5.6830 6.0499 6.0549 6.5230 6.5284 6.8207 6.8363 9.0711 9.1189 9.1450 9.1713 9.6631 9.6871 11.6300 11.6767 12.3116 12.4797 k = 0.2092 0.3623 0.2180 ( 4598 PWs) bands (ev): -5.0695 -5.0692 -4.9697 -4.9675 -4.6521 -4.6495 -0.1843 -0.1355 -0.1282 -0.0720 0.0147 0.0183 0.1128 0.1218 0.1980 0.2026 0.3751 0.3753 1.2653 1.3038 1.3120 1.4416 1.5287 1.5467 1.6957 1.7049 1.8026 1.8083 1.8746 1.8962 1.9673 1.9805 2.0412 2.0458 2.3279 2.3386 3.0307 3.0944 3.2911 3.3150 3.4670 3.5237 4.5831 4.5968 4.6873 4.7248 5.6808 5.7173 6.1018 6.1077 6.5418 6.5488 6.8000 6.8152 9.0889 9.1353 9.1584 9.1843 9.6485 9.6711 11.6206 11.6698 12.2940 12.4673 k = 0.2026 0.3509 0.2180 ( 4598 PWs) bands (ev): -5.0850 -5.0847 -4.9867 -4.9846 -4.6496 -4.6470 -0.1873 -0.1369 -0.1334 -0.0737 0.0168 0.0201 0.1100 0.1168 0.1892 0.1971 0.3658 0.3678 1.2615 1.3042 1.3117 1.4413 1.5269 1.5431 1.7048 1.7074 1.7998 1.8012 1.8744 1.8947 1.9636 1.9743 2.0345 2.0376 2.3125 2.3232 3.0355 3.0999 3.3237 3.3531 3.4590 3.5132 4.6432 4.6535 4.7435 4.7864 5.7122 5.7511 6.1513 6.1583 6.5594 6.5681 6.7763 6.7904 9.1098 9.1542 9.1748 9.2005 9.6363 9.6572 11.6139 11.6651 12.2733 12.4467 k = 0.1961 0.3396 0.2180 ( 4590 PWs) bands (ev): -5.1007 -5.1005 -5.0045 -5.0024 -4.6470 -4.6445 -0.1901 -0.1386 -0.1381 -0.0759 0.0189 0.0217 0.1074 0.1115 0.1809 0.1920 0.3557 0.3594 1.2552 1.3073 1.3098 1.4413 1.5256 1.5397 1.7103 1.7136 1.7942 1.7967 1.8736 1.8931 1.9601 1.9679 2.0285 2.0297 2.2959 2.3063 3.0378 3.1016 3.3566 3.3929 3.4601 3.5085 4.7037 4.7121 4.8059 4.8524 5.7428 5.7840 6.1978 6.2065 6.5760 6.5859 6.7508 6.7629 9.1329 9.1748 9.1941 9.2199 9.6263 9.6451 11.6101 11.6629 12.2507 12.4204 k = 0.1895 0.3283 0.2180 ( 4586 PWs) bands (ev): -5.1166 -5.1165 -5.0230 -5.0209 -4.6443 -4.6418 -0.1928 -0.1439 -0.1391 -0.0786 0.0210 0.0230 0.1050 0.1060 0.1732 0.1873 0.3448 0.3504 1.2468 1.3059 1.3123 1.4420 1.5250 1.5366 1.7132 1.7218 1.7878 1.7932 1.8723 1.8913 1.9568 1.9613 2.0221 2.0231 2.2783 2.2883 3.0375 3.0990 3.3874 3.4330 3.4738 3.5117 4.7655 4.7729 4.8724 4.9212 5.7726 5.8161 6.2409 6.2517 6.5915 6.6019 6.7253 6.7340 9.1568 9.1955 9.2163 9.2425 9.6181 9.6343 11.6097 11.6635 12.2273 12.3911 k = 0.1830 0.3170 0.2180 ( 4582 PWs) bands (ev): -5.1327 -5.1326 -5.0420 -5.0400 -4.6414 -4.6390 -0.1954 -0.1493 -0.1400 -0.0817 0.0230 0.0240 0.1001 0.1025 0.1662 0.1832 0.3334 0.3407 1.2369 1.2998 1.3188 1.4433 1.5254 1.5340 1.7158 1.7292 1.7820 1.7897 1.8704 1.8896 1.9538 1.9542 2.0148 2.0185 2.2603 2.2696 3.0343 3.0921 3.4147 3.4699 3.5014 3.5266 4.8291 4.8360 4.9411 4.9912 5.8015 5.8471 6.2798 6.2936 6.6057 6.6147 6.7030 6.7055 9.1795 9.2150 9.2422 9.2686 9.6115 9.6245 11.6128 11.6671 12.2047 12.3606 k = 0.1765 0.3057 0.2180 ( 4590 PWs) bands (ev): -5.1489 -5.1488 -5.0616 -5.0596 -4.6385 -4.6361 -0.1979 -0.1547 -0.1408 -0.0852 0.0247 0.0249 0.0939 0.0999 0.1601 0.1795 0.3217 0.3306 1.2257 1.2914 1.3262 1.4453 1.5268 1.5318 1.7175 1.7353 1.7774 1.7865 1.8679 1.8879 1.9469 1.9511 2.0078 2.0146 2.2422 2.2508 3.0285 3.0818 3.4410 3.4991 3.5398 3.5572 4.8947 4.9011 5.0106 5.0614 5.8295 5.8769 6.3131 6.3313 6.6166 6.6204 6.6812 6.6897 9.1989 9.2319 9.2723 9.2977 9.6063 9.6152 11.6198 11.6738 12.1843 12.3303 k = 0.1699 0.2943 0.2180 ( 4598 PWs) bands (ev): -5.1652 -5.1651 -5.0815 -5.0795 -4.6354 -4.6332 -0.2003 -0.1601 -0.1413 -0.0892 0.0249 0.0267 0.0873 0.0970 0.1549 0.1763 0.3097 0.3200 1.2134 1.2808 1.3343 1.4479 1.5292 1.5301 1.7180 1.7396 1.7742 1.7840 1.8649 1.8862 1.9394 1.9486 2.0012 2.0113 2.2243 2.2321 3.0206 3.0688 3.4692 3.5244 3.5848 3.5995 4.9622 4.9678 5.0800 5.1311 5.8566 5.9055 6.3393 6.3634 6.6169 6.6176 6.6704 6.6908 9.2137 9.2452 9.3061 9.3288 9.6022 9.6063 11.6308 11.6836 12.1676 12.3010 k = 0.1634 0.2830 0.2180 ( 4594 PWs) bands (ev): -5.1814 -5.1814 -5.1017 -5.0998 -4.6323 -4.6301 -0.2027 -0.1657 -0.1417 -0.0937 0.0246 0.0285 0.0806 0.0936 0.1508 0.1735 0.2978 0.3092 1.2001 1.2681 1.3430 1.4510 1.5288 1.5326 1.7168 1.7415 1.7727 1.7828 1.8614 1.8844 1.9319 1.9463 1.9949 2.0086 2.2068 2.2139 3.0110 3.0543 3.5008 3.5513 3.6338 3.6470 5.0309 5.0354 5.1487 5.1996 5.8829 5.9326 6.3559 6.3876 6.6077 6.6113 6.6777 6.7026 9.2235 9.2543 9.3418 9.3600 9.5978 9.6001 11.6457 11.6962 12.1559 12.2729 k = 0.1569 0.2717 0.2180 ( 4586 PWs) bands (ev): -5.1976 -5.1976 -5.1221 -5.1202 -4.6291 -4.6269 -0.2051 -0.1712 -0.1420 -0.0985 0.0234 0.0300 0.0738 0.0899 0.1476 0.1711 0.2860 0.2982 1.1859 1.2535 1.3520 1.4543 1.5279 1.5369 1.7139 1.7407 1.7728 1.7833 1.8577 1.8824 1.9249 1.9440 1.9891 2.0065 2.1901 2.1963 3.0005 3.0390 3.5360 3.5817 3.6853 3.6968 5.0997 5.1030 5.2169 5.2667 5.9085 5.9583 6.3614 6.4009 6.6004 6.6118 6.6939 6.7195 9.2278 9.2585 9.3764 9.3882 9.5913 9.6014 11.6643 11.7106 12.1506 12.2454 k = 0.1503 0.2604 0.2180 ( 4588 PWs) bands (ev): -5.2137 -5.2137 -5.1425 -5.1406 -4.6258 -4.6237 -0.2074 -0.1769 -0.1422 -0.1037 0.0211 0.0314 0.0675 0.0859 0.1454 0.1690 0.2746 0.2873 1.1709 1.2373 1.3613 1.4578 1.5275 1.5421 1.7095 1.7376 1.7741 1.7851 1.8538 1.8798 1.9185 1.9416 1.9839 2.0047 2.1742 2.1796 2.9894 3.0237 3.5745 3.6159 3.7383 3.7477 5.1672 5.1695 5.2848 5.3324 5.9334 5.9824 6.3565 6.4017 6.6034 6.6211 6.7141 6.7394 9.2264 9.2574 9.4045 9.4088 9.5910 9.6099 11.6856 11.7252 12.1523 12.2184 k = 0.1438 0.2491 0.2180 ( 4596 PWs) bands (ev): -5.2296 -5.2295 -5.1629 -5.1611 -4.6224 -4.6205 -0.2098 -0.1826 -0.1423 -0.1092 0.0172 0.0325 0.0620 0.0817 0.1440 0.1672 0.2637 0.2764 1.1552 1.2198 1.3707 1.4614 1.5274 1.5480 1.7042 1.7328 1.7762 1.7875 1.8500 1.8766 1.9134 1.9390 1.9793 2.0034 2.1593 2.1639 2.9782 3.0088 3.6161 3.6536 3.7921 3.7991 5.2315 5.2334 5.3535 5.3970 5.9579 6.0050 6.3445 6.3923 6.6167 6.6380 6.7371 6.7615 9.2189 9.2503 9.4164 9.4178 9.6038 9.6296 11.7075 11.7367 12.1607 12.1937 k = 0.1373 0.2377 0.2180 ( 4586 PWs) bands (ev): -5.2453 -5.2452 -5.1831 -5.1813 -4.6191 -4.6172 -0.2122 -0.1884 -0.1423 -0.1150 0.0115 0.0332 0.0578 0.0776 0.1431 0.1656 0.2535 0.2658 1.1388 1.2012 1.3803 1.4649 1.5277 1.5544 1.6983 1.7269 1.7785 1.7901 1.8463 1.8725 1.9095 1.9361 1.9754 2.0024 2.1454 2.1493 2.9673 2.9946 3.6602 3.6944 3.8462 3.8504 5.2911 5.2933 5.4237 5.4611 5.9819 6.0260 6.3293 6.3777 6.6370 6.6600 6.7626 6.7858 9.2050 9.2370 9.4088 9.4112 9.6342 9.6623 11.7262 11.7402 12.1683 12.1760 k = 0.1307 0.2264 0.2180 ( 4578 PWs) bands (ev): -5.2606 -5.2605 -5.2031 -5.2014 -4.6157 -4.6139 -0.2146 -0.1943 -0.1424 -0.1210 0.0040 0.0334 0.0549 0.0738 0.1428 0.1642 0.2440 0.2555 1.1221 1.1817 1.3900 1.4685 1.5283 1.5612 1.6920 1.7204 1.7808 1.7924 1.8430 1.8680 1.9068 1.9329 1.9724 2.0016 2.1326 2.1358 2.9569 2.9812 3.7065 3.7377 3.8999 3.9012 5.3447 5.3479 5.4957 5.5248 6.0056 6.0454 6.3143 6.3623 6.6612 6.6848 6.7904 6.8120 9.1847 9.2174 9.3873 9.3875 9.6789 9.7058 11.7300 11.7348 12.1549 12.1723 k = 0.1242 0.2151 0.2180 ( 4586 PWs) bands (ev): -5.2756 -5.2755 -5.2227 -5.2211 -4.6123 -4.6106 -0.2171 -0.2003 -0.1426 -0.1273 -0.0048 0.0330 0.0530 0.0703 0.1428 0.1629 0.2352 0.2455 1.1049 1.1617 1.3997 1.4720 1.5292 1.5681 1.6856 1.7135 1.7828 1.7944 1.8401 1.8632 1.9051 1.9293 1.9701 2.0009 2.1209 2.1233 2.9470 2.9689 3.7545 3.7830 3.9509 3.9528 5.3922 5.3966 5.5688 5.5879 6.0288 6.0633 6.3022 6.3490 6.6873 6.7113 6.8203 6.8402 9.1578 9.1913 9.3513 9.3546 9.7331 9.7574 11.7024 11.7242 12.1423 12.1875 k = 0.1176 0.2038 0.2180 ( 4586 PWs) bands (ev): -5.2903 -5.2901 -5.2419 -5.2403 -4.6090 -4.6074 -0.2196 -0.2064 -0.1431 -0.1337 -0.0143 0.0320 0.0520 0.0675 0.1431 0.1617 0.2272 0.2361 1.0876 1.1413 1.4094 1.4754 1.5302 1.5751 1.6793 1.7063 1.7845 1.7960 1.8376 1.8586 1.9041 1.9256 1.9684 2.0004 2.1102 2.1119 2.9379 2.9575 3.8037 3.8298 3.9991 4.0043 5.4343 5.4395 5.6416 5.6495 6.0516 6.0798 6.2951 6.3402 6.7144 6.7386 6.8522 6.8701 9.1246 9.1590 9.3058 9.3126 9.7937 9.8154 11.6581 11.6894 12.1543 12.2220 k = 0.1111 0.1925 0.2180 ( 4582 PWs) bands (ev): -5.3044 -5.3043 -5.2605 -5.2590 -4.6057 -4.6042 -0.2223 -0.2125 -0.1439 -0.1401 -0.0241 0.0301 0.0516 0.0654 0.1435 0.1605 0.2200 0.2273 1.0702 1.1208 1.4190 1.4788 1.5315 1.5819 1.6730 1.6990 1.7857 1.7971 1.8355 1.8544 1.9035 1.9218 1.9673 2.0000 2.1005 2.1014 2.9295 2.9471 3.8536 3.8775 4.0455 4.0538 5.4718 5.4773 5.7079 5.7122 6.0737 6.0953 6.2950 6.3373 6.7422 6.7666 6.8858 6.9017 9.0853 9.1207 9.2528 9.2626 9.8592 9.8786 11.6008 11.6335 12.1909 12.2729 k = 0.1046 0.1811 0.2180 ( 4578 PWs) bands (ev): -5.3181 -5.3179 -5.2786 -5.2771 -4.6024 -4.6010 -0.2250 -0.2187 -0.1466 -0.1454 -0.0335 0.0277 0.0515 0.0639 0.1440 0.1594 0.2136 0.2190 1.0529 1.1003 1.4285 1.4821 1.5329 1.5885 1.6669 1.6918 1.7866 1.7978 1.8339 1.8507 1.9031 1.9181 1.9666 1.9995 2.0918 2.0920 2.9219 2.9378 3.9039 3.9257 4.0896 4.1009 5.5055 5.5110 5.7616 5.7787 6.0947 6.1103 6.3035 6.3416 6.7704 6.7951 6.9206 6.9346 9.0402 9.0769 9.1935 9.2059 9.9290 9.9464 11.5345 11.5637 12.2460 12.3366 k = 0.0980 0.1698 0.2180 ( 4576 PWs) bands (ev): -5.3311 -5.3310 -5.2959 -5.2946 -4.5992 -4.5979 -0.2278 -0.2249 -0.1530 -0.1477 -0.0421 0.0246 0.0516 0.0629 0.1447 0.1583 0.2078 0.2114 1.0359 1.0801 1.4380 1.4853 1.5344 1.5947 1.6611 1.6847 1.7872 1.7982 1.8324 1.8476 1.9029 1.9146 1.9663 1.9990 2.0836 2.0839 2.9151 2.9294 3.9538 3.9737 4.1311 4.1450 5.5364 5.5417 5.8093 5.8389 6.1140 6.1250 6.3217 6.3543 6.7992 6.8244 6.9565 6.9683 8.9899 9.0280 9.1292 9.1434 10.0023 10.0183 11.4623 11.4856 12.3136 12.4102 k = 0.0915 0.1585 0.2180 ( 4572 PWs) bands (ev): -5.3436 -5.3435 -5.3125 -5.3112 -4.5962 -4.5949 -0.2311 -0.2308 -0.1593 -0.1510 -0.0494 0.0212 0.0519 0.0624 0.1453 0.1572 0.2028 0.2045 1.0193 1.0603 1.4472 1.4884 1.5361 1.6005 1.6556 1.6778 1.7876 1.7982 1.8312 1.8451 1.9028 1.9115 1.9662 1.9983 2.0760 2.0769 2.9090 2.9218 4.0029 4.0210 4.1696 4.1858 5.5654 5.5704 5.8508 5.8912 6.1311 6.1399 6.3496 6.3760 6.8289 6.8548 6.9928 7.0026 8.9350 8.9745 9.0609 9.0764 10.0787 10.0939 11.3865 11.4030 12.3896 12.4913 k = 0.0850 0.1472 0.2180 ( 4574 PWs) bands (ev): -5.3554 -5.3553 -5.3282 -5.3270 -4.5932 -4.5920 -0.2372 -0.2339 -0.1653 -0.1553 -0.0551 0.0174 0.0524 0.0621 0.1459 0.1561 0.1982 0.1983 1.0033 1.0411 1.4562 1.4914 1.5379 1.6056 1.6505 1.6712 1.7880 1.7981 1.8299 1.8431 1.9028 1.9087 1.9663 1.9974 2.0693 2.0706 2.9036 2.9152 4.0506 4.0669 4.2050 4.2230 5.5932 5.5980 5.8865 5.9349 6.1457 6.1544 6.3858 6.4068 6.8598 6.8868 7.0291 7.0370 8.8759 8.9172 8.9897 9.0059 10.1578 10.1728 11.3088 11.3181 12.4709 12.5777 k = 0.0784 0.1358 0.2180 ( 4578 PWs) bands (ev): -5.3666 -5.3665 -5.3431 -5.3419 -4.5904 -4.5893 -0.2432 -0.2371 -0.1712 -0.1607 -0.0591 0.0135 0.0529 0.0619 0.1465 0.1549 0.1926 0.1943 0.9880 1.0227 1.4648 1.4943 1.5400 1.6101 1.6457 1.6650 1.7884 1.7978 1.8286 1.8414 1.9028 1.9064 1.9665 1.9962 2.0635 2.0651 2.8988 2.9093 4.0963 4.1108 4.2370 4.2562 5.6207 5.6254 5.9177 5.9707 6.1578 6.1678 6.4279 6.4455 6.8924 6.9207 7.0651 7.0710 8.8136 8.8566 8.9169 8.9332 10.2387 10.2544 11.2308 11.2327 12.5547 12.6676 k = 0.0719 0.1245 0.2180 ( 4580 PWs) bands (ev): -5.3770 -5.3769 -5.3569 -5.3558 -4.5877 -4.5867 -0.2490 -0.2406 -0.1767 -0.1667 -0.0615 0.0095 0.0535 0.0619 0.1470 0.1538 0.1877 0.1908 0.9736 1.0052 1.4731 1.4971 1.5422 1.6139 1.6413 1.6592 1.7890 1.7976 1.8273 1.8400 1.9028 1.9046 1.9668 1.9948 2.0585 2.0602 2.8947 2.9040 4.1397 4.1524 4.2657 4.2853 5.6483 5.6531 5.9459 6.0001 6.1675 6.1793 6.4732 6.4900 6.9271 6.9567 7.1003 7.1045 8.7488 8.7935 8.8436 8.8592 10.3207 10.3382 11.1479 11.1537 12.6380 12.7588 k = 0.0654 0.1132 0.2180 ( 4580 PWs) bands (ev): -5.3866 -5.3865 -5.3697 -5.3687 -4.5852 -4.5843 -0.2546 -0.2442 -0.1818 -0.1731 -0.0625 0.0055 0.0541 0.0618 0.1474 0.1528 0.1834 0.1877 0.9601 0.9886 1.4808 1.4997 1.5448 1.6169 1.6372 1.6538 1.7897 1.7973 1.8259 1.8387 1.9029 1.9032 1.9673 1.9932 2.0543 2.0559 2.8912 2.8995 4.1802 4.1909 4.2910 4.3104 5.6765 5.6816 5.9721 6.0250 6.1749 6.1882 6.5194 6.5375 6.9642 6.9947 7.1344 7.1372 8.6825 8.7288 8.7708 8.7853 10.4023 10.4232 11.0651 11.0793 12.7167 12.8485 k = 0.0588 0.1019 0.2180 ( 4584 PWs) bands (ev): -5.3955 -5.3954 -5.3815 -5.3805 -4.5828 -4.5820 -0.2598 -0.2481 -0.1866 -0.1795 -0.0623 0.0014 0.0547 0.0618 0.1477 0.1517 0.1799 0.1850 0.9477 0.9732 1.4879 1.5021 1.5479 1.6192 1.6334 1.6489 1.7906 1.7971 1.8246 1.8375 1.9022 1.9030 1.9678 1.9914 2.0507 2.0523 2.8881 2.8955 4.2174 4.2261 4.3132 4.3316 5.7056 5.7111 5.9972 6.0469 6.1798 6.1944 6.5645 6.5852 7.0036 7.0343 7.1671 7.1690 8.6160 8.6633 8.6995 8.7126 10.4817 10.5083 10.9854 11.0097 12.7857 12.9314 k = 0.0523 0.0906 0.2180 ( 4588 PWs) bands (ev): -5.4035 -5.4035 -5.3920 -5.3912 -4.5807 -4.5800 -0.2645 -0.2521 -0.1909 -0.1856 -0.0612 -0.0027 0.0554 0.0618 0.1478 0.1507 0.1769 0.1826 0.9365 0.9591 1.4942 1.5044 1.5514 1.6206 1.6300 1.6444 1.7916 1.7970 1.8232 1.8363 1.9016 1.9030 1.9683 1.9894 2.0478 2.0491 2.8856 2.8921 4.2510 4.2576 4.3325 4.3492 5.7355 5.7415 6.0213 6.0664 6.1823 6.1979 6.6074 6.6309 7.0450 7.0746 7.1982 7.1999 8.5506 8.5982 8.6308 8.6423 10.5551 10.5921 10.9104 10.9483 12.8393 12.9907 k = 0.0458 0.0792 0.2180 ( 4596 PWs) bands (ev): -5.4107 -5.4107 -5.4014 -5.4007 -4.5788 -4.5781 -0.2688 -0.2563 -0.1949 -0.1911 -0.0593 -0.0069 0.0560 0.0617 0.1479 0.1498 0.1746 0.1805 0.9266 0.9462 1.4995 1.5064 1.5555 1.6211 1.6269 1.6404 1.7928 1.7970 1.8221 1.8350 1.9012 1.9031 1.9689 1.9873 2.0454 2.0464 2.8835 2.8891 4.2806 4.2850 4.3491 4.3634 5.7661 5.7726 6.0445 6.0839 6.1824 6.1987 6.6474 6.6731 7.0873 7.1143 7.2275 7.2297 8.4879 8.5348 8.5656 8.5752 10.6154 10.6714 10.8428 10.9022 12.8733 13.0021 k = 0.0392 0.0679 0.2180 ( 4596 PWs) bands (ev): -5.4170 -5.4170 -5.4096 -5.4089 -4.5771 -4.5765 -0.2725 -0.2605 -0.1983 -0.1958 -0.0568 -0.0110 0.0566 0.0615 0.1478 0.1490 0.1729 0.1786 0.9180 0.9348 1.5039 1.5082 1.5602 1.6203 1.6248 1.6368 1.7940 1.7971 1.8211 1.8335 1.9011 1.9032 1.9695 1.9852 2.0435 2.0442 2.8818 2.8865 4.3062 4.3083 4.3633 4.3747 5.7969 5.8037 6.0664 6.0993 6.1803 6.1971 6.6841 6.7106 7.1292 7.1518 7.2547 7.2584 8.4295 8.4746 8.5049 8.5126 10.6492 10.7280 10.8003 10.8843 12.8881 12.9851 k = 0.0327 0.0566 0.2180 ( 4596 PWs) bands (ev): -5.4226 -5.4225 -5.4164 -5.4158 -4.5756 -4.5752 -0.2755 -0.2646 -0.2012 -0.1998 -0.0539 -0.0151 0.0573 0.0614 0.1476 0.1483 0.1717 0.1769 0.9108 0.9248 1.5074 1.5098 1.5655 1.6178 1.6238 1.6337 1.7952 1.7972 1.8205 1.8320 1.9012 1.9033 1.9702 1.9831 2.0420 2.0424 2.8805 2.8844 4.3275 4.3276 4.3753 4.3835 5.8271 5.8341 6.0865 6.1124 6.1761 6.1932 6.7171 6.7430 7.1687 7.1856 7.2798 7.2857 8.3773 8.4192 8.4499 8.4556 10.6479 10.7023 10.8418 10.9022 12.8879 12.9577 k = 0.0261 0.0453 0.2180 ( 4592 PWs) bands (ev): -5.4272 -5.4272 -5.4219 -5.4214 -4.5744 -4.5740 -0.2777 -0.2684 -0.2037 -0.2030 -0.0507 -0.0193 0.0578 0.0612 0.1473 0.1477 0.1710 0.1755 0.9052 0.9163 1.5100 1.5112 1.5712 1.6143 1.6235 1.6311 1.7963 1.7974 1.8203 1.8304 1.9014 1.9033 1.9710 1.9812 2.0407 2.0410 2.8795 2.8826 4.3426 4.3446 4.3853 4.3903 5.8557 5.8625 6.1043 6.1228 6.1705 6.1877 6.7461 6.7696 7.2038 7.2145 7.3026 7.3106 8.3329 8.3700 8.4018 8.4055 10.6260 10.6575 10.9029 10.9403 12.8785 12.9272 k = 0.0196 0.0340 0.2180 ( 4588 PWs) bands (ev): -5.4309 -5.4309 -5.4261 -5.4258 -4.5734 -4.5731 -0.2792 -0.2719 -0.2057 -0.2054 -0.0472 -0.0234 0.0584 0.0609 0.1471 0.1472 0.1707 0.1742 0.9010 0.9093 1.5118 1.5123 1.5772 1.6102 1.6233 1.6288 1.7971 1.7977 1.8205 1.8287 1.9017 1.9032 1.9718 1.9793 2.0398 2.0399 2.8788 2.8812 4.3541 4.3572 4.3932 4.3956 5.8814 5.8875 6.1192 6.1302 6.1643 6.1810 6.7705 6.7900 7.2324 7.2377 7.3228 7.3317 8.2980 8.3284 8.3621 8.3640 10.6005 10.6191 10.9568 10.9805 12.8653 12.8980 k = 0.0131 0.0226 0.2180 ( 4590 PWs) bands (ev): -5.4336 -5.4336 -5.4290 -5.4288 -4.5727 -4.5725 -0.2799 -0.2749 -0.2071 -0.2070 -0.0435 -0.0275 0.0589 0.0606 0.1469 0.1469 0.1707 0.1731 0.8984 0.9040 1.5130 1.5131 1.5832 1.6056 1.6234 1.6270 1.7977 1.7979 1.8211 1.8269 1.9020 1.9031 1.9727 1.9777 2.0392 2.0392 2.8785 2.8801 4.3624 4.3653 4.3989 4.3997 5.9025 5.9073 6.1302 6.1347 6.1595 6.1742 6.7898 6.8037 7.2531 7.2548 7.3397 7.3475 8.2739 8.2957 8.3322 8.3329 10.5795 10.5900 10.9987 11.0131 12.8533 12.8732 k = 0.0065 0.0113 0.2180 ( 4586 PWs) bands (ev): -5.4353 -5.4353 -5.4307 -5.4306 -4.5723 -4.5722 -0.2798 -0.2773 -0.2080 -0.2079 -0.0396 -0.0316 0.0594 0.0602 0.1467 0.1467 0.1710 0.1722 0.8974 0.9002 1.5136 1.5136 1.5892 1.6005 1.6238 1.6256 1.7981 1.7981 1.8222 1.8252 1.9023 1.9029 1.9737 1.9762 2.0388 2.0388 2.8785 2.8792 4.3677 4.3695 4.4023 4.4024 5.9171 5.9197 6.1360 6.1366 6.1587 6.1678 6.8033 6.8105 7.2653 7.2655 7.3519 7.3564 8.2616 8.2730 8.3135 8.3136 10.5666 10.5715 11.0262 11.0330 12.8461 12.8556 k = 0.0000 0.0000 0.2180 ( 4586 PWs) bands (ev): -5.4359 -5.4359 -5.4312 -5.4312 -4.5721 -4.5721 -0.2789 -0.2789 -0.2083 -0.2083 -0.0356 -0.0356 0.0598 0.0598 0.1466 0.1466 0.1715 0.1715 0.8980 0.8980 1.5138 1.5138 1.5950 1.5950 1.6245 1.6245 1.7981 1.7981 1.8236 1.8236 1.9026 1.9026 1.9749 1.9749 2.0387 2.0387 2.8787 2.8787 4.3701 4.3701 4.4033 4.4033 5.9231 5.9231 6.1371 6.1371 6.1623 6.1623 6.8104 6.8104 7.2692 7.2692 7.3578 7.3578 8.2614 8.2614 8.3071 8.3071 10.5637 10.5637 11.0378 11.0378 12.8465 12.8465 k = 0.5000 0.2887 0.2180 ( 4616 PWs) bands (ev): -5.0240 -5.0240 -4.8447 -4.8447 -4.6486 -4.6486 -0.2213 -0.2213 -0.1143 -0.1143 0.0206 0.0206 0.1225 0.1225 0.3694 0.3694 0.3925 0.3925 1.0245 1.0245 1.4715 1.4715 1.6454 1.6454 1.7278 1.7278 1.8551 1.8551 1.9441 1.9441 2.0103 2.0103 2.1496 2.1496 2.2418 2.2418 2.7909 2.7909 3.0936 3.0936 3.6030 3.6030 4.2627 4.2627 5.1785 5.1785 5.5074 5.5074 5.7226 5.7226 6.7411 6.7411 6.9827 6.9827 8.2847 8.2847 8.3330 8.3330 10.3676 10.3676 11.2156 11.2156 12.0940 12.0940 k = 0.5000 0.2887 0.2052 ( 4614 PWs) bands (ev): -5.0243 -5.0240 -4.8448 -4.8442 -4.6488 -4.6486 -0.2232 -0.2191 -0.1162 -0.1116 0.0191 0.0216 0.1212 0.1239 0.3551 0.3738 0.3852 0.4086 1.0214 1.0290 1.4636 1.4772 1.6407 1.6507 1.7251 1.7304 1.8508 1.8578 1.9348 1.9511 2.0070 2.0170 2.1348 2.1609 2.2359 2.2533 2.7891 2.7919 3.0840 3.0991 3.6038 3.6132 4.2567 4.2584 5.1727 5.1822 5.5009 5.5143 5.7192 5.7352 6.7355 6.7442 6.9713 6.9923 8.2530 8.2892 8.3232 8.3709 10.3656 10.3772 11.2003 11.2088 12.0767 12.1282 k = 0.5000 0.2887 0.1924 ( 4622 PWs) bands (ev): -5.0247 -5.0242 -4.8445 -4.8433 -4.6492 -4.6487 -0.2247 -0.2167 -0.1170 -0.1079 0.0172 0.0222 0.1202 0.1255 0.3403 0.3568 0.3983 0.4242 1.0198 1.0350 1.4537 1.4804 1.6366 1.6565 1.7224 1.7325 1.8453 1.8585 1.9253 1.9539 2.0078 2.0254 2.1199 2.1648 2.2394 2.2680 2.7866 2.7918 3.0714 3.1003 3.6154 3.6333 4.2409 4.2443 5.1648 5.1838 5.4947 5.5199 5.7262 5.7569 6.7279 6.7446 6.9589 6.9992 8.2193 8.2490 8.3591 8.4113 10.3705 10.3941 11.1657 11.1814 12.0727 12.1790 k = 0.5000 0.2887 0.1796 ( 4616 PWs) bands (ev): -5.0254 -5.0246 -4.8438 -4.8421 -4.6498 -4.6490 -0.2257 -0.2140 -0.1168 -0.1034 0.0148 0.0225 0.1192 0.1273 0.3252 0.3386 0.4116 0.4390 1.0198 1.0424 1.4418 1.4810 1.6331 1.6628 1.7199 1.7342 1.8391 1.8570 1.9173 1.9529 2.0108 2.0343 2.1070 2.1611 2.2526 2.2845 2.7836 2.7903 3.0574 3.0979 3.6363 3.6616 4.2168 4.2220 5.1547 5.1831 5.4876 5.5219 5.7449 5.7874 6.7192 6.7427 6.9464 7.0030 8.1821 8.2034 8.4017 8.4555 10.3808 10.4172 11.1169 11.1377 12.0761 12.2436 k = 0.5000 0.2887 0.1667 ( 4606 PWs) bands (ev): -5.0262 -5.0252 -4.8427 -4.8406 -4.6505 -4.6494 -0.2263 -0.2114 -0.1156 -0.0981 0.0121 0.0225 0.1181 0.1293 0.3099 0.3200 0.4244 0.4528 1.0214 1.0511 1.4282 1.4789 1.6302 1.6693 1.7180 1.7351 1.8325 1.8535 1.9114 1.9499 2.0120 2.0423 2.0983 2.1541 2.2714 2.3028 2.7798 2.7871 3.0438 3.0934 3.6642 3.6958 4.1866 4.1940 5.1422 5.1802 5.4777 5.5182 5.7755 5.8268 6.7106 6.7398 6.9340 7.0034 8.1395 8.1530 8.4506 8.5046 10.3936 10.4445 11.0599 11.0846 12.0800 12.3184 k = 0.5000 0.2887 0.1539 ( 4616 PWs) bands (ev): -5.0272 -5.0260 -4.8413 -4.8388 -4.6513 -4.6500 -0.2264 -0.2088 -0.1133 -0.0921 0.0090 0.0224 0.1170 0.1315 0.2945 0.3011 0.4368 0.4657 1.0246 1.0610 1.4130 1.4739 1.6278 1.6757 1.7166 1.7352 1.8257 1.8493 1.9075 1.9464 2.0085 2.0476 2.0959 2.1473 2.2929 2.3226 2.7754 2.7817 3.0323 3.0883 3.6957 3.7326 4.1537 4.1639 5.1274 5.1753 5.4633 5.5080 5.8169 5.8745 6.7030 6.7377 6.9218 7.0005 8.0891 8.0995 8.5057 8.5592 10.4045 10.4721 11.0012 11.0304 12.0790 12.3990 k = 0.5000 0.2887 0.1411 ( 4614 PWs) bands (ev): -5.0282 -5.0269 -4.8396 -4.8368 -4.6522 -4.6507 -0.2261 -0.2064 -0.1098 -0.0853 0.0055 0.0223 0.1156 0.1338 0.2792 0.2820 0.4487 0.4774 1.0294 1.0721 1.3965 1.4660 1.6260 1.6817 1.7158 1.7349 1.8190 1.8454 1.9049 1.9431 2.0000 2.0482 2.0995 2.1428 2.3156 2.3441 2.7701 2.7742 3.0240 3.0841 3.7262 3.7678 4.1226 4.1367 5.1104 5.1687 5.4431 5.4912 5.8669 5.9292 6.6974 6.7382 6.9097 6.9946 8.0296 8.0444 8.5669 8.6194 10.4074 10.4935 10.9478 10.9849 12.0694 12.4220 k = 0.5000 0.2887 0.1283 ( 4614 PWs) bands (ev): -5.0293 -5.0279 -4.8377 -4.8347 -4.6531 -4.6516 -0.2254 -0.2043 -0.1053 -0.0778 0.0018 0.0224 0.1138 0.1363 0.2624 0.2646 0.4599 0.4881 1.0359 1.0843 1.3788 1.4553 1.6249 1.6869 1.7151 1.7348 1.8128 1.8428 1.9030 1.9400 1.9883 2.0440 2.1070 2.1415 2.3385 2.3671 2.7628 2.7655 3.0197 3.0819 3.7494 3.7947 4.0999 4.1192 5.0916 5.1611 5.4161 5.4684 5.9233 5.9895 6.6948 6.7428 6.8974 6.9862 7.9635 7.9856 8.6334 8.6848 10.3954 10.4982 10.9105 10.9576 12.0496 12.3523 k = 0.5000 0.2887 0.1154 ( 4618 PWs) bands (ev): -5.0305 -5.0290 -4.8357 -4.8326 -4.6542 -4.6525 -0.2243 -0.2025 -0.0998 -0.0696 -0.0021 0.0229 0.1115 0.1388 0.2434 0.2498 0.4705 0.4976 1.0438 1.0976 1.3601 1.4418 1.6245 1.6911 1.7138 1.7356 1.8076 1.8417 1.9015 1.9374 1.9751 2.0358 2.1159 2.1429 2.3613 2.3913 2.7514 2.7580 3.0196 3.0824 3.7582 3.8048 4.0942 4.1193 5.0711 5.1529 5.3823 5.4403 5.9838 6.0536 6.6962 6.7520 6.8850 6.9761 7.8928 7.9226 8.7044 8.7548 10.3637 10.4760 10.9003 10.9540 12.0199 12.2807 k = 0.5000 0.2887 0.1026 ( 4610 PWs) bands (ev): -5.0316 -5.0301 -4.8336 -4.8304 -4.6552 -4.6535 -0.2228 -0.2012 -0.0935 -0.0608 -0.0062 0.0240 0.1084 0.1414 0.2244 0.2358 0.4805 0.5059 1.0534 1.1120 1.3405 1.4260 1.6248 1.6937 1.7117 1.7377 1.8040 1.8421 1.9000 1.9350 1.9615 2.0251 2.1250 2.1460 2.3838 2.4162 2.7380 2.7499 3.0237 3.0860 3.7488 3.7938 4.1104 4.1408 5.0492 5.1447 5.3420 5.4078 6.0463 6.1198 6.7021 6.7659 6.8727 6.9653 7.8186 7.8559 8.7791 8.8285 10.3131 10.4255 10.9188 10.9736 11.9814 12.2088 k = 0.5000 0.2887 0.0898 ( 4608 PWs) bands (ev): -5.0326 -5.0312 -4.8314 -4.8284 -4.6562 -4.6545 -0.2210 -0.2003 -0.0867 -0.0515 -0.0104 0.0259 0.1044 0.1440 0.2056 0.2227 0.4896 0.5130 1.0643 1.1274 1.3203 1.4082 1.6259 1.6937 1.7106 1.7403 1.8025 1.8435 1.8984 1.9325 1.9487 2.0131 2.1334 2.1499 2.4061 2.4409 2.7237 2.7409 3.0319 3.0926 3.7240 3.7662 4.1453 4.1799 5.0259 5.1365 5.2961 5.3722 6.1092 6.1859 6.7124 6.7827 6.8620 6.9556 7.7419 7.7862 8.8565 8.9052 10.2484 10.3553 10.9580 11.0116 11.9361 12.1366 k = 0.5000 0.2887 0.0770 ( 4602 PWs) bands (ev): -5.0336 -5.0323 -4.8293 -4.8265 -4.6571 -4.6555 -0.2190 -0.1999 -0.0795 -0.0416 -0.0147 0.0287 0.0993 0.1466 0.1874 0.2107 0.4981 0.5189 1.0767 1.1437 1.2997 1.3889 1.6277 1.6902 1.7117 1.7424 1.8037 1.8458 1.8966 1.9273 1.9394 2.0006 2.1409 2.1539 2.4280 2.4647 2.7091 2.7310 3.0436 3.1018 3.6902 3.7294 4.1919 4.2300 5.0015 5.1282 5.2467 5.3350 6.1708 6.2495 6.7257 6.7983 6.8563 6.9502 7.6637 7.7145 8.9355 8.9837 10.1751 10.2743 11.0093 11.0624 11.8860 12.0641 k = 0.5000 0.2887 0.0641 ( 4606 PWs) bands (ev): -5.0344 -5.0333 -4.8274 -4.8248 -4.6579 -4.6565 -0.2169 -0.1999 -0.0723 -0.0311 -0.0189 0.0325 0.0932 0.1490 0.1699 0.2001 0.5056 0.5236 1.0905 1.1610 1.2787 1.3683 1.6303 1.6846 1.7146 1.7433 1.8073 1.8486 1.8946 1.9174 1.9360 1.9885 2.1474 2.1576 2.4492 2.4868 2.6950 2.7203 3.0584 3.1128 3.6530 3.6893 4.2445 4.2850 4.9763 5.1172 5.1980 5.2978 6.2295 6.3081 6.7385 6.8058 6.8619 6.9543 7.5854 7.6418 9.0150 9.0624 10.0981 10.1886 11.0670 11.1208 11.8332 11.9913 k = 0.5000 0.2887 0.0513 ( 4598 PWs) bands (ev): -5.0351 -5.0342 -4.8256 -4.8234 -4.6586 -4.6574 -0.2146 -0.2003 -0.0653 -0.0239 -0.0196 0.0369 0.0866 0.1481 0.1565 0.1909 0.5123 0.5270 1.1055 1.1792 1.2577 1.3469 1.6335 1.6781 1.7181 1.7430 1.8132 1.8516 1.8923 1.9062 1.9354 1.9770 2.1529 2.1606 2.4695 2.5063 2.6821 2.7091 3.0756 3.1244 3.6168 3.6496 4.2990 4.3403 4.9513 5.0939 5.1618 5.2626 6.2840 6.3588 6.7456 6.8038 6.8812 6.9720 7.5090 7.5694 9.0933 9.1391 10.0218 10.1025 11.1275 11.1823 11.7802 11.9190 k = 0.5000 0.2887 0.0385 ( 4588 PWs) bands (ev): -5.0356 -5.0349 -4.8240 -4.8224 -4.6591 -4.6582 -0.2123 -0.2011 -0.0588 -0.0280 -0.0085 0.0406 0.0809 0.1346 0.1567 0.1832 0.5179 0.5293 1.1216 1.1982 1.2367 1.3251 1.6373 1.6713 1.7220 1.7416 1.8208 1.8542 1.8896 1.8958 1.9360 1.9667 2.1573 2.1629 2.4885 2.5217 2.6716 2.6975 3.0940 3.1348 3.5852 3.6131 4.3519 4.3911 4.9287 5.0510 5.1484 5.2309 6.3327 6.3984 6.7465 6.7953 6.9133 7.0004 7.4378 7.4991 9.1680 9.2103 9.9510 10.0197 11.1879 11.2421 11.7306 11.8482 k = 0.5000 0.2887 0.0257 ( 4582 PWs) bands (ev): -5.0359 -5.0355 -4.8228 -4.8217 -4.6595 -4.6588 -0.2100 -0.2024 -0.0527 -0.0325 0.0032 0.0408 0.0792 0.1195 0.1595 0.1768 0.5226 0.5303 1.1388 1.2160 1.2181 1.3032 1.6417 1.6647 1.7259 1.7394 1.8293 1.8552 1.8863 1.8879 1.9377 1.9578 2.1606 2.1643 2.5056 2.5316 2.6651 2.6862 3.1122 3.1420 3.5615 3.5824 4.3991 4.4316 4.9130 5.0017 5.1478 5.2037 6.3742 6.4239 6.7459 6.7826 6.9553 7.0301 7.3780 7.4338 9.2349 9.2698 9.8928 9.9454 11.2447 11.2930 11.6907 11.7814 k = 0.5000 0.2887 0.0128 ( 4578 PWs) bands (ev): -5.0361 -5.0359 -4.8219 -4.8214 -4.6596 -4.6593 -0.2077 -0.2039 -0.0472 -0.0372 0.0149 0.0354 0.0838 0.1056 0.1629 0.1714 0.5262 0.5301 1.1570 1.1957 1.2386 1.2813 1.6467 1.6583 1.7297 1.7366 1.8382 1.8528 1.8825 1.8844 1.9406 1.9505 2.1630 2.1648 2.5199 2.5344 2.6638 2.6758 3.1279 3.1438 3.5486 3.5599 4.4359 4.4549 4.9101 4.9573 5.1539 5.1818 6.4065 6.4336 6.7487 6.7687 6.9999 7.0465 7.3420 7.3784 9.2871 9.3079 9.8571 9.8867 11.2928 11.3235 11.6713 11.7233 k = 0.5000 0.2887-0.0000 ( 4574 PWs) bands (ev): -5.0361 -5.0361 -4.8214 -4.8214 -4.6595 -4.6595 -0.2057 -0.2057 -0.0420 -0.0420 0.0260 0.0260 0.0933 0.0933 0.1669 0.1669 0.5287 0.5287 1.1760 1.1760 1.2597 1.2597 1.6523 1.6523 1.7333 1.7333 1.8465 1.8465 1.8823 1.8823 1.9448 1.9448 2.1644 2.1644 2.5301 2.5301 2.6678 2.6678 3.1390 3.1390 3.5480 3.5480 4.4563 4.4563 4.9250 4.9250 5.1652 5.1652 6.4271 6.4271 6.7566 6.7566 7.0354 7.0354 7.3431 7.3431 9.3143 9.3143 9.8544 9.8544 11.3228 11.3228 11.6828 11.6828 k = 0.3333 0.5774-0.0000 ( 4584 PWs) bands (ev): -4.9275 -4.9275 -4.7413 -4.7413 -4.7376 -4.7293 -0.1490 -0.1490 -0.0848 -0.0421 0.0052 0.0052 0.2606 0.2606 0.2681 0.3184 0.3184 0.3780 1.2642 1.2642 1.4251 1.4251 1.4418 1.4685 1.8101 1.8166 1.8166 1.9092 1.9476 1.9476 2.0546 2.0546 2.1035 2.2003 2.2003 2.2097 2.9036 3.0230 3.1158 3.1158 3.4921 3.4921 4.3978 4.3978 4.4071 4.4338 4.5617 4.5617 6.0438 6.0615 6.0615 6.1024 7.2626 7.2626 8.8724 8.8724 9.2364 9.2790 9.2930 9.2930 12.1149 12.1149 12.4443 12.4522 k = 0.3333 0.5774 0.0128 ( 4578 PWs) bands (ev): -4.9275 -4.9270 -4.7483 -4.7414 -4.7344 -4.7257 -0.1505 -0.1470 -0.0847 -0.0421 0.0020 0.0079 0.2574 0.2636 0.2676 0.3178 0.3194 0.3781 1.2613 1.2684 1.4249 1.4256 1.4415 1.4687 1.8094 1.8157 1.8165 1.9085 1.9466 1.9474 2.0489 2.0612 2.1048 2.1899 2.2102 2.2109 2.9010 3.0268 3.1072 3.1248 3.4821 3.4963 4.3670 4.3818 4.4310 4.4624 4.5660 4.5672 5.9920 6.0015 6.1266 6.1400 7.2528 7.2596 8.8765 8.8785 9.2033 9.2394 9.3171 9.3516 12.1081 12.1192 12.4337 12.4591 k = 0.3333 0.5774 0.0257 ( 4581 PWs) bands (ev): -4.9271 -4.9260 -4.7555 -4.7479 -4.7279 -4.7200 -0.1516 -0.1446 -0.0843 -0.0419 -0.0018 0.0099 0.2542 0.2661 0.2665 0.3174 0.3206 0.3786 1.2596 1.2738 1.4249 1.4264 1.4405 1.4690 1.8073 1.8134 1.8155 1.9065 1.9443 1.9461 2.0442 2.0685 2.1086 2.1800 2.2116 2.2215 2.8942 3.0372 3.0995 3.1340 3.4666 3.4944 4.3390 4.3502 4.4660 4.5039 4.5795 4.5824 5.9190 5.9358 6.1866 6.1920 7.2306 7.2440 8.8904 8.8942 9.1608 9.1917 9.3744 9.4140 12.0987 12.1209 12.4165 12.4654 k = 0.3333 0.5774 0.0385 ( 4587 PWs) bands (ev): -4.9261 -4.9246 -4.7629 -4.7549 -4.7216 -4.7143 -0.1523 -0.1419 -0.0838 -0.0416 -0.0062 0.0112 0.2508 0.2637 0.2692 0.3174 0.3223 0.3793 1.2592 1.2803 1.4253 1.4274 1.4389 1.4695 1.8040 1.8098 1.8137 1.9034 1.9407 1.9437 2.0407 2.0764 2.1145 2.1705 2.2139 2.2319 2.8851 3.0520 3.0928 3.1427 3.4467 3.4867 4.3145 4.3219 4.5027 4.5486 4.6012 4.6067 5.8434 5.8651 6.2399 6.2406 7.1970 7.2167 8.9131 8.9182 9.1237 9.1508 9.4360 9.4793 12.0871 12.1200 12.3955 12.4682 k = 0.3333 0.5774 0.0513 ( 4599 PWs) bands (ev): -4.9247 -4.9227 -4.7705 -4.7622 -4.7156 -4.7087 -0.1525 -0.1387 -0.0831 -0.0412 -0.0110 0.0118 0.2474 0.2605 0.2718 0.3176 0.3243 0.3801 1.2601 1.2880 1.4258 1.4287 1.4369 1.4698 1.7999 1.8049 1.8113 1.8994 1.9357 1.9404 2.0384 2.0846 2.1221 2.1618 2.2170 2.2419 2.8757 3.0694 3.0874 3.1504 3.4234 3.4740 4.2942 4.2978 4.5414 4.5955 4.6298 4.6384 5.7661 5.7918 6.2816 6.2881 7.1538 7.1791 8.9432 8.9491 9.0936 9.1176 9.5002 9.5465 12.0736 12.1166 12.3713 12.4676 k = 0.3333 0.5774 0.0641 ( 4599 PWs) bands (ev): -4.9228 -4.9203 -4.7781 -4.7697 -4.7099 -4.7035 -0.1523 -0.1353 -0.0823 -0.0407 -0.0162 0.0118 0.2441 0.2568 0.2741 0.3179 0.3266 0.3809 1.2622 1.2966 1.4266 1.4302 1.4346 1.4698 1.7953 1.7987 1.8085 1.8947 1.9295 1.9363 2.0373 2.0932 2.1307 2.1537 2.2209 2.2514 2.8669 3.0835 3.0882 3.1563 3.3982 3.4568 4.2782 4.2783 4.5823 4.6442 4.6641 4.6757 5.6877 5.7168 6.3164 6.3284 7.1026 7.1330 8.9784 8.9848 9.0711 9.0927 9.5657 9.6144 12.0584 12.1109 12.3440 12.4638 k = 0.3333 0.5774 0.0770 ( 4605 PWs) bands (ev): -4.9205 -4.9175 -4.7859 -4.7773 -4.7046 -4.6987 -0.1517 -0.1315 -0.0813 -0.0401 -0.0217 0.0111 0.2407 0.2526 0.2763 0.3185 0.3293 0.3817 1.2655 1.3061 1.4276 1.4318 1.4318 1.4694 1.7906 1.7912 1.8055 1.8897 1.9222 1.9313 2.0374 2.1020 2.1400 2.1464 2.2254 2.2601 2.8596 3.0811 3.1075 3.1595 3.3724 3.4363 4.2636 4.2673 4.6256 4.6939 4.7028 4.7167 5.6093 5.6412 6.3440 6.3614 7.0451 7.0803 9.0163 9.0233 9.0567 9.0773 9.6316 9.6821 12.0421 12.1032 12.3141 12.4572 k = 0.3333 0.5774 0.0898 ( 4602 PWs) bands (ev): -4.9177 -4.9142 -4.7937 -4.7850 -4.6996 -4.6942 -0.1507 -0.1275 -0.0803 -0.0395 -0.0274 0.0099 0.2374 0.2481 0.2782 0.3191 0.3322 0.3822 1.2699 1.3164 1.4288 1.4288 1.4336 1.4683 1.7828 1.7862 1.8025 1.8846 1.9140 1.9257 2.0386 2.1109 2.1398 2.1494 2.2304 2.2681 2.8542 3.0805 3.1265 3.1587 3.3479 3.4133 4.2540 4.2613 4.6708 4.7441 4.7447 4.7598 5.5315 5.5658 6.3646 6.3873 6.9833 7.0226 9.0495 9.0502 9.0628 9.0765 9.6970 9.7485 12.0251 12.0938 12.2820 12.4480 k = 0.3333 0.5774 0.1026 ( 4611 PWs) bands (ev): -4.9145 -4.9105 -4.8015 -4.7928 -4.6951 -4.6901 -0.1493 -0.1232 -0.0792 -0.0388 -0.0333 0.0081 0.2342 0.2436 0.2800 0.3198 0.3354 0.3825 1.2754 1.3273 1.4253 1.4301 1.4353 1.4667 1.7735 1.7823 1.7994 1.8794 1.9052 1.9196 2.0407 2.1197 2.1338 2.1583 2.2359 2.2751 2.8512 3.0816 3.1449 3.1528 3.3263 3.3885 4.2496 4.2604 4.7175 4.7887 4.7940 4.8037 5.4553 5.4913 6.3786 6.4063 6.9186 6.9617 9.0514 9.0611 9.1015 9.1052 9.7608 9.8126 12.0081 12.0833 12.2481 12.4369 k = 0.3333 0.5774 0.1154 ( 4608 PWs) bands (ev): -4.9109 -4.9064 -4.8093 -4.8006 -4.6909 -4.6864 -0.1476 -0.1188 -0.0782 -0.0392 -0.0379 0.0058 0.2312 0.2392 0.2815 0.3206 0.3388 0.3824 1.2820 1.3386 1.4212 1.4315 1.4370 1.4645 1.7637 1.7793 1.7965 1.8745 1.8963 1.9130 2.0435 2.1283 2.1283 2.1665 2.2418 2.2810 2.8508 3.0845 3.1409 3.1621 3.3088 3.3628 4.2503 4.2643 4.7647 4.8333 4.8429 4.8471 5.3816 5.4187 6.3869 6.4194 6.8526 6.8992 9.0597 9.0702 9.1378 9.1419 9.8223 9.8733 11.9917 12.0723 12.2129 12.4244 k = 0.3333 0.5774 0.1283 ( 4596 PWs) bands (ev): -4.9068 -4.9019 -4.8170 -4.8084 -4.6871 -4.6831 -0.1456 -0.1142 -0.0774 -0.0451 -0.0369 0.0030 0.2284 0.2349 0.2829 0.3213 0.3424 0.3820 1.2895 1.3502 1.4165 1.4330 1.4386 1.4620 1.7536 1.7772 1.7939 1.8700 1.8875 1.9061 2.0468 2.1233 2.1368 2.1735 2.2480 2.2859 2.8531 3.0892 3.1232 3.1781 3.2956 3.3367 4.2558 4.2726 4.8113 4.8774 4.8889 4.8897 5.3115 5.3489 6.3906 6.4278 6.7868 6.8365 9.0740 9.0844 9.1703 9.1765 9.8805 9.9295 11.9767 12.0614 12.1772 12.3645 k = 0.3333 0.5774 0.1411 ( 4593 PWs) bands (ev): -4.9023 -4.8970 -4.8247 -4.8162 -4.6838 -4.6803 -0.1434 -0.1096 -0.0769 -0.0507 -0.0357 -0.0000 0.2258 0.2310 0.2840 0.3220 0.3461 0.3812 1.2978 1.3617 1.4109 1.4345 1.4398 1.4591 1.7437 1.7761 1.7914 1.8660 1.8791 1.8991 2.0506 2.1186 2.1449 2.1791 2.2544 2.2896 2.8582 3.0958 3.1010 3.1925 3.2861 3.3107 4.2657 4.2844 4.8564 4.9196 4.9278 4.9331 5.2463 5.2831 6.3914 6.4329 6.7225 6.7750 9.0931 9.1035 9.1978 9.2067 9.9344 9.9802 11.9640 12.0514 12.1415 12.3030 k = 0.3333 0.5774 0.1539 ( 4593 PWs) bands (ev): -4.8975 -4.8917 -4.8323 -4.8240 -4.6809 -4.6780 -0.1410 -0.1050 -0.0768 -0.0560 -0.0342 -0.0034 0.2235 0.2275 0.2850 0.3227 0.3499 0.3799 1.3068 1.3728 1.4043 1.4361 1.4406 1.4562 1.7342 1.7759 1.7893 1.8628 1.8715 1.8921 2.0544 2.1143 2.1526 2.1832 2.2608 2.2921 2.8663 3.0758 3.1042 3.2054 3.2789 3.2852 4.2791 4.2986 4.8987 4.9581 4.9627 4.9716 5.1879 5.2230 6.3909 6.4366 6.6610 6.7161 9.1157 9.1259 9.2194 9.2313 9.9831 10.0244 11.9542 12.0432 12.1067 12.2469 k = 0.3333 0.5774 0.1667 ( 4587 PWs) bands (ev): -4.8923 -4.8861 -4.8398 -4.8316 -4.6784 -4.6761 -0.1387 -0.1005 -0.0772 -0.0609 -0.0323 -0.0069 0.2216 0.2245 0.2858 0.3232 0.3537 0.3783 1.3165 1.3833 1.3967 1.4377 1.4408 1.4535 1.7256 1.7763 1.7874 1.8605 1.8649 1.8852 2.0583 2.1104 2.1598 2.1857 2.2672 2.2935 2.8773 3.0493 3.1145 3.2168 3.2606 3.2730 4.2947 4.3138 4.9368 4.9906 4.9924 5.0029 5.1390 5.1708 6.3913 6.4408 6.6037 6.6609 9.1402 9.1501 9.2344 9.2495 10.0257 10.0609 11.9482 12.0376 12.0735 12.1970 k = 0.3333 0.5774 0.1796 ( 4593 PWs) bands (ev): -4.8867 -4.8802 -4.8472 -4.8391 -4.6765 -4.6747 -0.1366 -0.0962 -0.0783 -0.0650 -0.0301 -0.0106 0.2201 0.2221 0.2865 0.3237 0.3575 0.3762 1.3267 1.3882 1.3926 1.4393 1.4405 1.4509 1.7182 1.7773 1.7857 1.8594 1.8595 1.8787 2.0619 2.1068 2.1664 2.1867 2.2732 2.2937 2.8911 3.0225 3.1267 3.2268 3.2370 3.2675 4.3112 4.3280 4.9695 5.0124 5.0157 5.0232 5.1049 5.1309 6.3945 6.4473 6.5518 6.6107 9.1650 9.1741 9.2425 9.2610 10.0612 10.0891 11.9467 12.0356 12.0427 12.1540 k = 0.3333 0.5774 0.1924 ( 4611 PWs) bands (ev): -4.8809 -4.8740 -4.8543 -4.8465 -4.6750 -4.6738 -0.1348 -0.0921 -0.0799 -0.0682 -0.0275 -0.0142 0.2190 0.2203 0.2869 0.3240 0.3611 0.3738 1.3371 1.3788 1.4003 1.4396 1.4410 1.4486 1.7126 1.7786 1.7842 1.8555 1.8595 1.8728 2.0649 2.1039 2.1723 2.1862 2.2787 2.2927 2.9076 2.9963 3.1406 3.2148 3.2356 3.2621 4.3264 4.3391 4.9952 5.0172 5.0271 5.0320 5.0926 5.1094 6.4025 6.4580 6.5065 6.5664 9.1886 9.1956 9.2436 9.2663 10.0889 10.1082 11.9501 12.0152 12.0379 12.1186 k = 0.3333 0.5774 0.2052 ( 4623 PWs) bands (ev): -4.8748 -4.8675 -4.8611 -4.8537 -4.6740 -4.6734 -0.1336 -0.0883 -0.0822 -0.0702 -0.0246 -0.0179 0.2185 0.2191 0.2872 0.3242 0.3647 0.3710 1.3478 1.3689 1.4056 1.4387 1.4427 1.4465 1.7091 1.7800 1.7828 1.8531 1.8610 1.8678 2.0670 2.1019 2.1773 2.1844 2.2835 2.2907 2.9266 2.9713 3.1562 3.1943 3.2434 3.2564 4.3382 4.3451 5.0121 5.0121 5.0185 5.0410 5.0959 5.1036 6.4168 6.4686 6.4741 6.5292 9.2095 9.2118 9.2380 9.2668 10.1078 10.1177 11.9587 11.9916 12.0442 12.0920 k = 0.3333 0.5774 0.2180 ( 4614 PWs) bands (ev): -4.8698 -4.8664 -4.8607 -4.8607 -4.6734 -4.6734 -0.1332 -0.0850 -0.0850 -0.0709 -0.0213 -0.0213 0.2185 0.2185 0.2872 0.3243 0.3680 0.3680 1.3584 1.3584 1.4075 1.4382 1.4445 1.4445 1.7079 1.7814 1.7814 1.8523 1.8638 1.8638 2.0677 2.1012 2.1814 2.1814 2.2876 2.2876 2.9480 2.9480 3.1696 3.1792 3.2502 3.2502 4.3449 4.3449 5.0113 5.0113 5.0182 5.0438 5.1009 5.1009 6.4387 6.4387 6.4915 6.5045 9.2181 9.2264 9.2264 9.2661 10.1176 10.1176 11.9726 11.9726 12.0495 12.0798 Writing output data file HgS.save init_run : 0.76s CPU 1.04s WALL ( 1 calls) electrons : 672.22s CPU 679.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.05s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 672.21s CPU 679.15s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.03s WALL ( 1 calls) newd : 0.34s CPU 0.35s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 302 calls) cegterg : 646.48s CPU 652.92s WALL ( 635 calls) Called by sum_band: Called by *egterg: h_psi : 353.64s CPU 362.91s WALL ( 11472 calls) s_psi : 41.93s CPU 42.21s WALL ( 11472 calls) g_psi : 0.85s CPU 0.88s WALL ( 10535 calls) cdiaghg : 181.20s CPU 177.73s WALL ( 10837 calls) cegterg:over : 37.59s CPU 35.35s WALL ( 10535 calls) cegterg:upda : 14.03s CPU 17.44s WALL ( 10535 calls) cegterg:last : 13.87s CPU 14.90s WALL ( 2447 calls) Called by h_psi: h_psi:vloc : 304.00s CPU 310.11s WALL ( 11472 calls) h_psi:vnl : 49.48s CPU 52.21s WALL ( 11472 calls) add_vuspsi : 25.74s CPU 29.08s WALL ( 11472 calls) General routines calbec : 23.72s CPU 23.09s WALL ( 11472 calls) fft : 0.05s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 295.71s CPU 292.77s WALL ( 1921628 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.17s WALL ( 604 calls) Parallel routines fft_scatter : 248.07s CPU 193.06s WALL ( 1921651 calls) PWSCF : 11m42.00s CPU 11m57.93s WALL This run was terminated on: 14:37:35 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=