Program PWSCF v.5.1.1 starts on 17Jul2015 at 23:33: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdS.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 56 14 4 3814 472 76 Max 58 15 5 3818 493 83 Sum 2713 673 199 183151 23007 3789 bravais-lattice index = 14 lattice parameter (alat) = 7.8159 a.u. unit-cell volume = 671.1272 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.815907 celldm(2)= 1.000000 celldm(3)= 1.623066 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 1.623066 ) 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 0.616118 ) 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 Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 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 1239 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) Cd 12.00 112.41100 Cd( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) 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 ) ( -0.8115329 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) 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 ) ( -0.8115329 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) 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 ) ( -0.8115329 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8115329 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8115329 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8115329 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 323 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0030960 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0030960 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0030960 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0030960 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0030960 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0030960 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0030960 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0030960 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0030960 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0030960 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0030960 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0030960 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0030960 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0030960 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0030960 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0030960 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0030960 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0030960 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0030960 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0030960 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0030960 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0030960 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0030960 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0030960 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0030960 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0030960 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0030960 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0030960 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0030960 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0030960 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0030960 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0030960 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0030960 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0030960 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0030960 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0030960 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0030960 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0030960 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0030960 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0030960 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0030960 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0030960 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0030960 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0030960 k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0030960 k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0030960 k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0030960 k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0030960 k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0030960 k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0030960 k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0030960 k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0030960 k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0030960 k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0030960 k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0030960 k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0030960 k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0030960 k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0030960 k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0030960 k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0030960 k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0030960 k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0030960 k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0030960 k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0030960 k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0030960 k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0030960 k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0030960 k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0030960 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0030960 k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0030960 k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0030960 k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0030960 k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0030960 k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0030960 k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0030960 k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0030960 k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0030960 k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0030960 k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0030960 k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0030960 k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0030960 k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0030960 k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0030960 k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0030960 k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0030960 k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0030960 k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0030960 k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0030960 k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0030960 k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0030960 k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0030960 k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0030960 k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0030960 k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0030960 k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0030960 k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0030960 k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0030960 k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0030960 k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0030960 k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0030960 k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0030960 k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0030960 k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0030960 k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0030960 k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0030960 k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0030960 k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0030960 k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0030960 k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0030960 k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0030960 k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0030960 k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0030960 k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0030960 k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0030960 k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0030960 k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0030960 k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0030960 k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0030960 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 126) = ( 0.0000000 0.0000000 0.0128358), wk = 0.0030960 k( 127) = ( 0.0000000 0.0000000 0.0256716), wk = 0.0030960 k( 128) = ( 0.0000000 0.0000000 0.0385074), wk = 0.0030960 k( 129) = ( 0.0000000 0.0000000 0.0513432), wk = 0.0030960 k( 130) = ( 0.0000000 0.0000000 0.0641790), wk = 0.0030960 k( 131) = ( 0.0000000 0.0000000 0.0770147), wk = 0.0030960 k( 132) = ( 0.0000000 0.0000000 0.0898505), wk = 0.0030960 k( 133) = ( 0.0000000 0.0000000 0.1026863), wk = 0.0030960 k( 134) = ( 0.0000000 0.0000000 0.1155221), wk = 0.0030960 k( 135) = ( 0.0000000 0.0000000 0.1283579), wk = 0.0030960 k( 136) = ( 0.0000000 0.0000000 0.1411937), wk = 0.0030960 k( 137) = ( 0.0000000 0.0000000 0.1540295), wk = 0.0030960 k( 138) = ( 0.0000000 0.0000000 0.1668653), wk = 0.0030960 k( 139) = ( 0.0000000 0.0000000 0.1797011), wk = 0.0030960 k( 140) = ( 0.0000000 0.0000000 0.1925369), wk = 0.0030960 k( 141) = ( 0.0000000 0.0000000 0.2053727), wk = 0.0030960 k( 142) = ( 0.0000000 0.0000000 0.2182085), wk = 0.0030960 k( 143) = ( 0.0000000 0.0000000 0.2310442), wk = 0.0030960 k( 144) = ( 0.0000000 0.0000000 0.2438800), wk = 0.0030960 k( 145) = ( 0.0000000 0.0000000 0.2567158), wk = 0.0030960 k( 146) = ( 0.0000000 0.0000000 0.2695516), wk = 0.0030960 k( 147) = ( 0.0000000 0.0000000 0.2823874), wk = 0.0030960 k( 148) = ( 0.0000000 0.0000000 0.2952232), wk = 0.0030960 k( 149) = ( 0.0000000 0.0000000 0.3080590), wk = 0.0030960 k( 150) = ( 0.0000000 0.0000000 0.3080590), wk = 0.0030960 k( 151) = ( 0.0113636 0.0065608 0.3080590), wk = 0.0030960 k( 152) = ( 0.0227273 0.0131216 0.3080590), wk = 0.0030960 k( 153) = ( 0.0340909 0.0196824 0.3080590), wk = 0.0030960 k( 154) = ( 0.0454546 0.0262432 0.3080590), wk = 0.0030960 k( 155) = ( 0.0568182 0.0328040 0.3080590), wk = 0.0030960 k( 156) = ( 0.0681818 0.0393648 0.3080590), wk = 0.0030960 k( 157) = ( 0.0795455 0.0459256 0.3080590), wk = 0.0030960 k( 158) = ( 0.0909091 0.0524864 0.3080590), wk = 0.0030960 k( 159) = ( 0.1022727 0.0590472 0.3080590), wk = 0.0030960 k( 160) = ( 0.1136364 0.0656080 0.3080590), wk = 0.0030960 k( 161) = ( 0.1250000 0.0721688 0.3080590), wk = 0.0030960 k( 162) = ( 0.1363636 0.0787296 0.3080590), wk = 0.0030960 k( 163) = ( 0.1477273 0.0852904 0.3080590), wk = 0.0030960 k( 164) = ( 0.1590909 0.0918512 0.3080590), wk = 0.0030960 k( 165) = ( 0.1704546 0.0984120 0.3080590), wk = 0.0030960 k( 166) = ( 0.1818182 0.1049728 0.3080590), wk = 0.0030960 k( 167) = ( 0.1931818 0.1115336 0.3080590), wk = 0.0030960 k( 168) = ( 0.2045454 0.1180944 0.3080590), wk = 0.0030960 k( 169) = ( 0.2159091 0.1246552 0.3080590), wk = 0.0030960 k( 170) = ( 0.2272727 0.1312160 0.3080590), wk = 0.0030960 k( 171) = ( 0.2386364 0.1377768 0.3080590), wk = 0.0030960 k( 172) = ( 0.2500000 0.1443376 0.3080590), wk = 0.0030960 k( 173) = ( 0.2613636 0.1508984 0.3080590), wk = 0.0030960 k( 174) = ( 0.2727273 0.1574592 0.3080590), wk = 0.0030960 k( 175) = ( 0.2840909 0.1640200 0.3080590), wk = 0.0030960 k( 176) = ( 0.2954545 0.1705808 0.3080590), wk = 0.0030960 k( 177) = ( 0.3068182 0.1771416 0.3080590), wk = 0.0030960 k( 178) = ( 0.3181818 0.1837024 0.3080590), wk = 0.0030960 k( 179) = ( 0.3295455 0.1902632 0.3080590), wk = 0.0030960 k( 180) = ( 0.3409091 0.1968240 0.3080590), wk = 0.0030960 k( 181) = ( 0.3522727 0.2033848 0.3080590), wk = 0.0030960 k( 182) = ( 0.3636364 0.2099456 0.3080590), wk = 0.0030960 k( 183) = ( 0.3750000 0.2165064 0.3080590), wk = 0.0030960 k( 184) = ( 0.3863636 0.2230672 0.3080590), wk = 0.0030960 k( 185) = ( 0.3977273 0.2296279 0.3080590), wk = 0.0030960 k( 186) = ( 0.4090909 0.2361887 0.3080590), wk = 0.0030960 k( 187) = ( 0.4204545 0.2427495 0.3080590), wk = 0.0030960 k( 188) = ( 0.4318182 0.2493103 0.3080590), wk = 0.0030960 k( 189) = ( 0.4431818 0.2558711 0.3080590), wk = 0.0030960 k( 190) = ( 0.4545455 0.2624319 0.3080590), wk = 0.0030960 k( 191) = ( 0.4659091 0.2689927 0.3080590), wk = 0.0030960 k( 192) = ( 0.4772727 0.2755535 0.3080590), wk = 0.0030960 k( 193) = ( 0.4886364 0.2821143 0.3080590), wk = 0.0030960 k( 194) = ( 0.5000000 0.2886751 0.3080590), wk = 0.0030960 k( 195) = ( 0.5000000 0.2886751 0.3080590), wk = 0.0030960 k( 196) = ( 0.4935897 0.2997780 0.3080590), wk = 0.0030960 k( 197) = ( 0.4871795 0.3108809 0.3080590), wk = 0.0030960 k( 198) = ( 0.4807692 0.3219838 0.3080590), wk = 0.0030960 k( 199) = ( 0.4743590 0.3330867 0.3080590), wk = 0.0030960 k( 200) = ( 0.4679487 0.3441896 0.3080590), wk = 0.0030960 k( 201) = ( 0.4615385 0.3552925 0.3080590), wk = 0.0030960 k( 202) = ( 0.4551282 0.3663954 0.3080590), wk = 0.0030960 k( 203) = ( 0.4487179 0.3774983 0.3080590), wk = 0.0030960 k( 204) = ( 0.4423077 0.3886011 0.3080590), wk = 0.0030960 k( 205) = ( 0.4358974 0.3997040 0.3080590), wk = 0.0030960 k( 206) = ( 0.4294872 0.4108069 0.3080590), wk = 0.0030960 k( 207) = ( 0.4230769 0.4219098 0.3080590), wk = 0.0030960 k( 208) = ( 0.4166667 0.4330127 0.3080590), wk = 0.0030960 k( 209) = ( 0.4102564 0.4441156 0.3080590), wk = 0.0030960 k( 210) = ( 0.4038462 0.4552185 0.3080590), wk = 0.0030960 k( 211) = ( 0.3974359 0.4663214 0.3080590), wk = 0.0030960 k( 212) = ( 0.3910256 0.4774243 0.3080590), wk = 0.0030960 k( 213) = ( 0.3846154 0.4885271 0.3080590), wk = 0.0030960 k( 214) = ( 0.3782051 0.4996300 0.3080590), wk = 0.0030960 k( 215) = ( 0.3717949 0.5107329 0.3080590), wk = 0.0030960 k( 216) = ( 0.3653846 0.5218358 0.3080590), wk = 0.0030960 k( 217) = ( 0.3589744 0.5329387 0.3080590), wk = 0.0030960 k( 218) = ( 0.3525641 0.5440416 0.3080590), wk = 0.0030960 k( 219) = ( 0.3461538 0.5551445 0.3080590), wk = 0.0030960 k( 220) = ( 0.3397436 0.5662474 0.3080590), wk = 0.0030960 k( 221) = ( 0.3333333 0.5773503 0.3080590), wk = 0.0030960 k( 222) = ( 0.3333333 0.5773503 0.3080590), wk = 0.0030960 k( 223) = ( 0.3267974 0.5660297 0.3080590), wk = 0.0030960 k( 224) = ( 0.3202614 0.5547091 0.3080590), wk = 0.0030960 k( 225) = ( 0.3137255 0.5433885 0.3080590), wk = 0.0030960 k( 226) = ( 0.3071895 0.5320679 0.3080590), wk = 0.0030960 k( 227) = ( 0.3006536 0.5207473 0.3080590), wk = 0.0030960 k( 228) = ( 0.2941177 0.5094267 0.3080590), wk = 0.0030960 k( 229) = ( 0.2875817 0.4981061 0.3080590), wk = 0.0030960 k( 230) = ( 0.2810457 0.4867855 0.3080590), wk = 0.0030960 k( 231) = ( 0.2745098 0.4754649 0.3080590), wk = 0.0030960 k( 232) = ( 0.2679739 0.4641443 0.3080590), wk = 0.0030960 k( 233) = ( 0.2614379 0.4528237 0.3080590), wk = 0.0030960 k( 234) = ( 0.2549020 0.4415031 0.3080590), wk = 0.0030960 k( 235) = ( 0.2483660 0.4301825 0.3080590), wk = 0.0030960 k( 236) = ( 0.2418301 0.4188620 0.3080590), wk = 0.0030960 k( 237) = ( 0.2352941 0.4075414 0.3080590), wk = 0.0030960 k( 238) = ( 0.2287582 0.3962208 0.3080590), wk = 0.0030960 k( 239) = ( 0.2222222 0.3849002 0.3080590), wk = 0.0030960 k( 240) = ( 0.2156863 0.3735796 0.3080590), wk = 0.0030960 k( 241) = ( 0.2091503 0.3622590 0.3080590), wk = 0.0030960 k( 242) = ( 0.2026144 0.3509384 0.3080590), wk = 0.0030960 k( 243) = ( 0.1960784 0.3396178 0.3080590), wk = 0.0030960 k( 244) = ( 0.1895425 0.3282972 0.3080590), wk = 0.0030960 k( 245) = ( 0.1830065 0.3169766 0.3080590), wk = 0.0030960 k( 246) = ( 0.1764706 0.3056560 0.3080590), wk = 0.0030960 k( 247) = ( 0.1699346 0.2943354 0.3080590), wk = 0.0030960 k( 248) = ( 0.1633987 0.2830148 0.3080590), wk = 0.0030960 k( 249) = ( 0.1568627 0.2716943 0.3080590), wk = 0.0030960 k( 250) = ( 0.1503268 0.2603737 0.3080590), wk = 0.0030960 k( 251) = ( 0.1437908 0.2490531 0.3080590), wk = 0.0030960 k( 252) = ( 0.1372549 0.2377325 0.3080590), wk = 0.0030960 k( 253) = ( 0.1307190 0.2264119 0.3080590), wk = 0.0030960 k( 254) = ( 0.1241830 0.2150913 0.3080590), wk = 0.0030960 k( 255) = ( 0.1176471 0.2037707 0.3080590), wk = 0.0030960 k( 256) = ( 0.1111111 0.1924501 0.3080590), wk = 0.0030960 k( 257) = ( 0.1045752 0.1811295 0.3080590), wk = 0.0030960 k( 258) = ( 0.0980392 0.1698089 0.3080590), wk = 0.0030960 k( 259) = ( 0.0915033 0.1584883 0.3080590), wk = 0.0030960 k( 260) = ( 0.0849673 0.1471677 0.3080590), wk = 0.0030960 k( 261) = ( 0.0784314 0.1358471 0.3080590), wk = 0.0030960 k( 262) = ( 0.0718954 0.1245265 0.3080590), wk = 0.0030960 k( 263) = ( 0.0653595 0.1132059 0.3080590), wk = 0.0030960 k( 264) = ( 0.0588235 0.1018853 0.3080590), wk = 0.0030960 k( 265) = ( 0.0522876 0.0905647 0.3080590), wk = 0.0030960 k( 266) = ( 0.0457516 0.0792441 0.3080590), wk = 0.0030960 k( 267) = ( 0.0392157 0.0679236 0.3080590), wk = 0.0030960 k( 268) = ( 0.0326797 0.0566030 0.3080590), wk = 0.0030960 k( 269) = ( 0.0261438 0.0452824 0.3080590), wk = 0.0030960 k( 270) = ( 0.0196078 0.0339618 0.3080590), wk = 0.0030960 k( 271) = ( 0.0130719 0.0226412 0.3080590), wk = 0.0030960 k( 272) = ( 0.0065359 0.0113206 0.3080590), wk = 0.0030960 k( 273) = ( 0.0000000 0.0000000 0.3080590), wk = 0.0030960 k( 274) = ( 0.5000000 0.2886751 0.3080590), wk = 0.0030960 k( 275) = ( 0.5000000 0.2886751 0.2952232), wk = 0.0030960 k( 276) = ( 0.5000000 0.2886751 0.2823874), wk = 0.0030960 k( 277) = ( 0.5000000 0.2886751 0.2695516), wk = 0.0030960 k( 278) = ( 0.5000000 0.2886751 0.2567158), wk = 0.0030960 k( 279) = ( 0.5000000 0.2886751 0.2438800), wk = 0.0030960 k( 280) = ( 0.5000000 0.2886751 0.2310442), wk = 0.0030960 k( 281) = ( 0.5000000 0.2886751 0.2182085), wk = 0.0030960 k( 282) = ( 0.5000000 0.2886751 0.2053727), wk = 0.0030960 k( 283) = ( 0.5000000 0.2886751 0.1925369), wk = 0.0030960 k( 284) = ( 0.5000000 0.2886751 0.1797011), wk = 0.0030960 k( 285) = ( 0.5000000 0.2886751 0.1668653), wk = 0.0030960 k( 286) = ( 0.5000000 0.2886751 0.1540295), wk = 0.0030960 k( 287) = ( 0.5000000 0.2886751 0.1411937), wk = 0.0030960 k( 288) = ( 0.5000000 0.2886751 0.1283579), wk = 0.0030960 k( 289) = ( 0.5000000 0.2886751 0.1155221), wk = 0.0030960 k( 290) = ( 0.5000000 0.2886751 0.1026863), wk = 0.0030960 k( 291) = ( 0.5000000 0.2886751 0.0898505), wk = 0.0030960 k( 292) = ( 0.5000000 0.2886751 0.0770147), wk = 0.0030960 k( 293) = ( 0.5000000 0.2886751 0.0641790), wk = 0.0030960 k( 294) = ( 0.5000000 0.2886751 0.0513432), wk = 0.0030960 k( 295) = ( 0.5000000 0.2886751 0.0385074), wk = 0.0030960 k( 296) = ( 0.5000000 0.2886751 0.0256716), wk = 0.0030960 k( 297) = ( 0.5000000 0.2886751 0.0128358), wk = 0.0030960 k( 298) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 299) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 300) = ( 0.3333333 0.5773503 0.0128358), wk = 0.0030960 k( 301) = ( 0.3333333 0.5773503 0.0256716), wk = 0.0030960 k( 302) = ( 0.3333333 0.5773503 0.0385074), wk = 0.0030960 k( 303) = ( 0.3333333 0.5773503 0.0513432), wk = 0.0030960 k( 304) = ( 0.3333333 0.5773503 0.0641790), wk = 0.0030960 k( 305) = ( 0.3333333 0.5773503 0.0770147), wk = 0.0030960 k( 306) = ( 0.3333333 0.5773503 0.0898505), wk = 0.0030960 k( 307) = ( 0.3333333 0.5773503 0.1026863), wk = 0.0030960 k( 308) = ( 0.3333333 0.5773503 0.1155221), wk = 0.0030960 k( 309) = ( 0.3333333 0.5773503 0.1283579), wk = 0.0030960 k( 310) = ( 0.3333333 0.5773503 0.1411937), wk = 0.0030960 k( 311) = ( 0.3333333 0.5773503 0.1540295), wk = 0.0030960 k( 312) = ( 0.3333333 0.5773503 0.1668653), wk = 0.0030960 k( 313) = ( 0.3333333 0.5773503 0.1797011), wk = 0.0030960 k( 314) = ( 0.3333333 0.5773503 0.1925369), wk = 0.0030960 k( 315) = ( 0.3333333 0.5773503 0.2053727), wk = 0.0030960 k( 316) = ( 0.3333333 0.5773503 0.2182085), wk = 0.0030960 k( 317) = ( 0.3333333 0.5773503 0.2310442), wk = 0.0030960 k( 318) = ( 0.3333333 0.5773503 0.2438800), wk = 0.0030960 k( 319) = ( 0.3333333 0.5773503 0.2567158), wk = 0.0030960 k( 320) = ( 0.3333333 0.5773503 0.2695516), wk = 0.0030960 k( 321) = ( 0.3333333 0.5773503 0.2823874), wk = 0.0030960 k( 322) = ( 0.3333333 0.5773503 0.2952232), wk = 0.0030960 k( 323) = ( 0.3333333 0.5773503 0.3080590), wk = 0.0030960 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0030960 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0030960 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0030960 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0030960 k( 6) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0030960 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0030960 k( 8) = ( 0.0795455 -0.0000000 0.0000000), wk = 0.0030960 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0030960 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0030960 k( 11) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0030960 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0030960 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0030960 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0030960 k( 15) = ( 0.1590909 -0.0000000 0.0000000), wk = 0.0030960 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0030960 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0030960 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0030960 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0030960 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0030960 k( 21) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0030960 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0030960 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030960 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0030960 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0030960 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0030960 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0030960 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0030960 k( 29) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0030960 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0030960 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0030960 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0030960 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0030960 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0030960 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0030960 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0030960 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0030960 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0030960 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0030960 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0030960 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0030960 k( 42) = ( 0.4659091 -0.0000000 0.0000000), wk = 0.0030960 k( 43) = ( 0.4772727 -0.0000000 0.0000000), wk = 0.0030960 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0030960 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 47) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0030960 k( 48) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0030960 k( 49) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0030960 k( 50) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0030960 k( 51) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0030960 k( 52) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0030960 k( 53) = ( 0.4551282 0.0897436 -0.0000000), wk = 0.0030960 k( 54) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0030960 k( 55) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0030960 k( 56) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0030960 k( 57) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0030960 k( 58) = ( 0.4230769 0.1538462 0.0000000), wk = 0.0030960 k( 59) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0030960 k( 60) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0030960 k( 61) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0030960 k( 62) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0030960 k( 63) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0030960 k( 64) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0030960 k( 65) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0030960 k( 66) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0030960 k( 67) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0030960 k( 68) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0030960 k( 69) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0030960 k( 70) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0030960 k( 71) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0030960 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 74) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0030960 k( 75) = ( 0.3202614 0.3202614 0.0000000), wk = 0.0030960 k( 76) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0030960 k( 77) = ( 0.3071895 0.3071895 0.0000000), wk = 0.0030960 k( 78) = ( 0.3006536 0.3006536 0.0000000), wk = 0.0030960 k( 79) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0030960 k( 80) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0030960 k( 81) = ( 0.2810457 0.2810458 0.0000000), wk = 0.0030960 k( 82) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0030960 k( 83) = ( 0.2679739 0.2679739 0.0000000), wk = 0.0030960 k( 84) = ( 0.2614379 0.2614379 0.0000000), wk = 0.0030960 k( 85) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0030960 k( 86) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0030960 k( 87) = ( 0.2418301 0.2418301 0.0000000), wk = 0.0030960 k( 88) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0030960 k( 89) = ( 0.2287582 0.2287582 0.0000000), wk = 0.0030960 k( 90) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0030960 k( 91) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0030960 k( 92) = ( 0.2091503 0.2091503 0.0000000), wk = 0.0030960 k( 93) = ( 0.2026144 0.2026144 0.0000000), wk = 0.0030960 k( 94) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0030960 k( 95) = ( 0.1895425 0.1895425 0.0000000), wk = 0.0030960 k( 96) = ( 0.1830065 0.1830065 0.0000000), wk = 0.0030960 k( 97) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0030960 k( 98) = ( 0.1699346 0.1699346 0.0000000), wk = 0.0030960 k( 99) = ( 0.1633987 0.1633987 0.0000000), wk = 0.0030960 k( 100) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0030960 k( 101) = ( 0.1503268 0.1503268 0.0000000), wk = 0.0030960 k( 102) = ( 0.1437908 0.1437908 0.0000000), wk = 0.0030960 k( 103) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0030960 k( 104) = ( 0.1307190 0.1307190 0.0000000), wk = 0.0030960 k( 105) = ( 0.1241830 0.1241830 0.0000000), wk = 0.0030960 k( 106) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0030960 k( 107) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0030960 k( 108) = ( 0.1045752 0.1045752 0.0000000), wk = 0.0030960 k( 109) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0030960 k( 110) = ( 0.0915033 0.0915033 0.0000000), wk = 0.0030960 k( 111) = ( 0.0849673 0.0849673 0.0000000), wk = 0.0030960 k( 112) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0030960 k( 113) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0030960 k( 114) = ( 0.0653595 0.0653595 0.0000000), wk = 0.0030960 k( 115) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0030960 k( 116) = ( 0.0522876 0.0522876 0.0000000), wk = 0.0030960 k( 117) = ( 0.0457516 0.0457516 0.0000000), wk = 0.0030960 k( 118) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0030960 k( 119) = ( 0.0326797 0.0326797 0.0000000), wk = 0.0030960 k( 120) = ( 0.0261438 0.0261438 0.0000000), wk = 0.0030960 k( 121) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0030960 k( 122) = ( 0.0130719 0.0130719 0.0000000), wk = 0.0030960 k( 123) = ( 0.0065359 0.0065360 0.0000000), wk = 0.0030960 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 126) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0030960 k( 127) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0030960 k( 128) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030960 k( 129) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030960 k( 130) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0030960 k( 131) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030960 k( 132) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0030960 k( 133) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030960 k( 134) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030960 k( 135) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0030960 k( 136) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0030960 k( 137) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030960 k( 138) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0030960 k( 139) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0030960 k( 140) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030960 k( 141) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030960 k( 142) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0030960 k( 143) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030960 k( 144) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0030960 k( 145) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030960 k( 146) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030960 k( 147) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0030960 k( 148) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0030960 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 151) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0030960 k( 152) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0030960 k( 153) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0030960 k( 154) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0030960 k( 155) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0030960 k( 156) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0030960 k( 157) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0030960 k( 158) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0030960 k( 159) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0030960 k( 160) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0030960 k( 161) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0030960 k( 162) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0030960 k( 163) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0030960 k( 164) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0030960 k( 165) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0030960 k( 166) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0030960 k( 167) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0030960 k( 168) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0030960 k( 169) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0030960 k( 170) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0030960 k( 171) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0030960 k( 172) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0030960 k( 173) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0030960 k( 174) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0030960 k( 175) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0030960 k( 176) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0030960 k( 177) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0030960 k( 178) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0030960 k( 179) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0030960 k( 180) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0030960 k( 181) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0030960 k( 182) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0030960 k( 183) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0030960 k( 184) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0030960 k( 185) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0030960 k( 186) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0030960 k( 187) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0030960 k( 188) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0030960 k( 189) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0030960 k( 190) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0030960 k( 191) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0030960 k( 192) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0030960 k( 193) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0030960 k( 194) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 195) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 196) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0030960 k( 197) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0030960 k( 198) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0030960 k( 199) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0030960 k( 200) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0030960 k( 201) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0030960 k( 202) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0030960 k( 203) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0030960 k( 204) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0030960 k( 205) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0030960 k( 206) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0030960 k( 207) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0030960 k( 208) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030960 k( 209) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0030960 k( 210) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0030960 k( 211) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0030960 k( 212) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0030960 k( 213) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0030960 k( 214) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0030960 k( 215) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0030960 k( 216) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0030960 k( 217) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0030960 k( 218) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0030960 k( 219) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0030960 k( 220) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0030960 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 k( 222) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 k( 223) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0030960 k( 224) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0030960 k( 225) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0030960 k( 226) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0030960 k( 227) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0030960 k( 228) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0030960 k( 229) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0030960 k( 230) = ( 0.2810457 0.2810458 0.5000000), wk = 0.0030960 k( 231) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0030960 k( 232) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0030960 k( 233) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0030960 k( 234) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0030960 k( 235) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0030960 k( 236) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0030960 k( 237) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0030960 k( 238) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0030960 k( 239) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0030960 k( 240) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0030960 k( 241) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0030960 k( 242) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0030960 k( 243) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0030960 k( 244) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0030960 k( 245) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0030960 k( 246) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0030960 k( 247) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0030960 k( 248) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0030960 k( 249) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0030960 k( 250) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0030960 k( 251) = ( 0.1437908 0.1437908 0.5000000), wk = 0.0030960 k( 252) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0030960 k( 253) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0030960 k( 254) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0030960 k( 255) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0030960 k( 256) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0030960 k( 257) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0030960 k( 258) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0030960 k( 259) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0030960 k( 260) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0030960 k( 261) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0030960 k( 262) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0030960 k( 263) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0030960 k( 264) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0030960 k( 265) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0030960 k( 266) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0030960 k( 267) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0030960 k( 268) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0030960 k( 269) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0030960 k( 270) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0030960 k( 271) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0030960 k( 272) = ( 0.0065359 0.0065360 0.5000000), wk = 0.0030960 k( 273) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 274) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 275) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0030960 k( 276) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0030960 k( 277) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0030960 k( 278) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0030960 k( 279) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0030960 k( 280) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0030960 k( 281) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0030960 k( 282) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0030960 k( 283) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0030960 k( 284) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0030960 k( 285) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0030960 k( 286) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030960 k( 287) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0030960 k( 288) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0030960 k( 289) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0030960 k( 290) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0030960 k( 291) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0030960 k( 292) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0030960 k( 293) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0030960 k( 294) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0030960 k( 295) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0030960 k( 296) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0030960 k( 297) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0030960 k( 298) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 299) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 300) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0030960 k( 301) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0030960 k( 302) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0030960 k( 303) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0030960 k( 304) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0030960 k( 305) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0030960 k( 306) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0030960 k( 307) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0030960 k( 308) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0030960 k( 309) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0030960 k( 310) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0030960 k( 311) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0030960 k( 312) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0030960 k( 313) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0030960 k( 314) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0030960 k( 315) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030960 k( 316) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0030960 k( 317) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0030960 k( 318) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0030960 k( 319) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0030960 k( 320) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0030960 k( 321) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0030960 k( 322) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0030960 k( 323) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 Dense grid: 183151 G-vectors FFT dimensions: ( 64, 64, 108) Smooth grid: 23007 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 120, 44) NL pseudopotentials 0.12 Mb ( 60, 136) Each V/rho on FFT grid 0.19 Mb ( 12288) Each G-vector array 0.03 Mb ( 3815) G-vector shells 0.01 Mb ( 1625) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 120, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./CdS.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.6 secs Computing kpt #: 2 total cpu time spent up to now is 45.8 secs Computing kpt #: 3 total cpu time spent up to now is 47.8 secs Computing kpt #: 4 total cpu time spent up to now is 49.7 secs Computing kpt #: 5 total cpu time spent up to now is 51.6 secs Computing kpt #: 6 total cpu time spent up to now is 53.4 secs Computing kpt #: 7 total cpu time spent up to now is 55.3 secs Computing kpt #: 8 total cpu time spent up to now is 57.2 secs Computing kpt #: 9 total cpu time spent up to now is 59.2 secs Computing kpt #: 10 total cpu time spent up to now is 61.2 secs Computing kpt #: 11 total cpu time spent up to now is 63.1 secs Computing kpt #: 12 total cpu time spent up to now is 65.4 secs Computing kpt #: 13 total cpu time spent up to now is 67.8 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.9 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.9 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.9 secs Computing kpt #: 17 total cpu time spent up to now is 79.7 secs Computing kpt #: 18 total cpu time spent up to now is 82.1 secs Computing kpt #: 19 total cpu time spent up to now is 84.1 secs Computing kpt #: 20 total cpu time spent up to now is 85.9 secs Computing kpt #: 21 total cpu time spent up to now is 87.7 secs Computing kpt #: 22 total cpu time spent up to now is 89.3 secs Computing kpt #: 23 total cpu time spent up to now is 91.1 secs Computing kpt #: 24 total cpu time spent up to now is 92.7 secs Computing kpt #: 25 total cpu time spent up to now is 94.3 secs Computing kpt #: 26 total cpu time spent up to now is 96.0 secs Computing kpt #: 27 total cpu time spent up to now is 97.4 secs Computing kpt #: 28 total cpu time spent up to now is 98.9 secs Computing kpt #: 29 total cpu time spent up to now is 100.4 secs Computing kpt #: 30 total cpu time spent up to now is 101.9 secs Computing kpt #: 31 total cpu time spent up to now is 103.3 secs Computing kpt #: 32 total cpu time spent up to now is 104.8 secs Computing kpt #: 33 total cpu time spent up to now is 106.2 secs Computing kpt #: 34 total cpu time spent up to now is 107.7 secs Computing kpt #: 35 total cpu time spent up to now is 109.1 secs Computing kpt #: 36 total cpu time spent up to now is 110.7 secs Computing kpt #: 37 total cpu time spent up to now is 112.2 secs Computing kpt #: 38 total cpu time spent up to now is 113.8 secs Computing kpt #: 39 total cpu time spent up to now is 115.4 secs Computing kpt #: 40 total cpu time spent up to now is 116.9 secs Computing kpt #: 41 total cpu time spent up to now is 118.5 secs Computing kpt #: 42 total cpu time spent up to now is 120.1 secs Computing kpt #: 43 total cpu time spent up to now is 121.7 secs Computing kpt #: 44 total cpu time spent up to now is 123.2 secs Computing kpt #: 45 total cpu time spent up to now is 124.8 secs Computing kpt #: 46 total cpu time spent up to now is 126.5 secs Computing kpt #: 47 total cpu time spent up to now is 128.1 secs Computing kpt #: 48 total cpu time spent up to now is 129.8 secs Computing kpt #: 49 total cpu time spent up to now is 131.3 secs Computing kpt #: 50 total cpu time spent up to now is 132.9 secs Computing kpt #: 51 total cpu time spent up to now is 134.5 secs Computing kpt #: 52 total cpu time spent up to now is 136.0 secs Computing kpt #: 53 total cpu time spent up to now is 137.5 secs Computing kpt #: 54 total cpu time spent up to now is 139.1 secs Computing kpt #: 55 total cpu time spent up to now is 140.7 secs Computing kpt #: 56 total cpu time spent up to now is 142.2 secs Computing kpt #: 57 total cpu time spent up to now is 143.7 secs Computing kpt #: 58 total cpu time spent up to now is 145.3 secs Computing kpt #: 59 total cpu time spent up to now is 146.9 secs Computing kpt #: 60 total cpu time spent up to now is 148.4 secs Computing kpt #: 61 total cpu time spent up to now is 149.9 secs Computing kpt #: 62 total cpu time spent up to now is 151.5 secs Computing kpt #: 63 total cpu time spent up to now is 153.0 secs Computing kpt #: 64 total cpu time spent up to now is 154.6 secs Computing kpt #: 65 total cpu time spent up to now is 156.2 secs Computing kpt #: 66 total cpu time spent up to now is 158.1 secs Computing kpt #: 67 total cpu time spent up to now is 160.1 secs Computing kpt #: 68 total cpu time spent up to now is 161.7 secs Computing kpt #: 69 total cpu time spent up to now is 163.5 secs Computing kpt #: 70 total cpu time spent up to now is 165.2 secs Computing kpt #: 71 total cpu time spent up to now is 167.2 secs Computing kpt #: 72 total cpu time spent up to now is 169.3 secs Computing kpt #: 73 total cpu time spent up to now is 171.0 secs Computing kpt #: 74 total cpu time spent up to now is 172.8 secs Computing kpt #: 75 total cpu time spent up to now is 174.6 secs Computing kpt #: 76 total cpu time spent up to now is 176.9 secs Computing kpt #: 77 total cpu time spent up to now is 178.7 secs Computing kpt #: 78 total cpu time spent up to now is 180.4 secs Computing kpt #: 79 total cpu time spent up to now is 182.0 secs Computing kpt #: 80 total cpu time spent up to now is 183.5 secs Computing kpt #: 81 total cpu time spent up to now is 185.1 secs Computing kpt #: 82 total cpu time spent up to now is 186.6 secs Computing kpt #: 83 total cpu time spent up to now is 188.2 secs Computing kpt #: 84 total cpu time spent up to now is 189.7 secs Computing kpt #: 85 total cpu time spent up to now is 191.2 secs Computing kpt #: 86 total cpu time spent up to now is 192.8 secs Computing kpt #: 87 total cpu time spent up to now is 194.2 secs Computing kpt #: 88 total cpu time spent up to now is 195.7 secs Computing kpt #: 89 total cpu time spent up to now is 197.1 secs Computing kpt #: 90 total cpu time spent up to now is 198.6 secs Computing kpt #: 91 total cpu time spent up to now is 200.0 secs Computing kpt #: 92 total cpu time spent up to now is 201.4 secs Computing kpt #: 93 total cpu time spent up to now is 202.8 secs Computing kpt #: 94 total cpu time spent up to now is 204.3 secs Computing kpt #: 95 total cpu time spent up to now is 205.9 secs Computing kpt #: 96 total cpu time spent up to now is 207.3 secs Computing kpt #: 97 total cpu time spent up to now is 208.7 secs Computing kpt #: 98 total cpu time spent up to now is 210.1 secs Computing kpt #: 99 total cpu time spent up to now is 211.6 secs Computing kpt #: 100 total cpu time spent up to now is 213.1 secs Computing kpt #: 101 total cpu time spent up to now is 214.6 secs Computing kpt #: 102 total cpu time spent up to now is 216.1 secs Computing kpt #: 103 total cpu time spent up to now is 217.6 secs Computing kpt #: 104 total cpu time spent up to now is 219.2 secs Computing kpt #: 105 total cpu time spent up to now is 220.8 secs Computing kpt #: 106 total cpu time spent up to now is 222.5 secs Computing kpt #: 107 total cpu time spent up to now is 224.2 secs Computing kpt #: 108 total cpu time spent up to now is 225.9 secs Computing kpt #: 109 total cpu time spent up to now is 227.7 secs Computing kpt #: 110 total cpu time spent up to now is 229.5 secs Computing kpt #: 111 total cpu time spent up to now is 231.4 secs Computing kpt #: 112 total cpu time spent up to now is 233.2 secs Computing kpt #: 113 total cpu time spent up to now is 235.2 secs Computing kpt #: 114 total cpu time spent up to now is 237.1 secs Computing kpt #: 115 total cpu time spent up to now is 239.0 secs Computing kpt #: 116 total cpu time spent up to now is 240.9 secs Computing kpt #: 117 total cpu time spent up to now is 242.8 secs Computing kpt #: 118 total cpu time spent up to now is 244.6 secs Computing kpt #: 119 total cpu time spent up to now is 246.6 secs Computing kpt #: 120 total cpu time spent up to now is 248.6 secs Computing kpt #: 121 total cpu time spent up to now is 250.5 secs Computing kpt #: 122 total cpu time spent up to now is 252.6 secs Computing kpt #: 123 total cpu time spent up to now is 254.6 secs Computing kpt #: 124 total cpu time spent up to now is 256.4 secs Computing kpt #: 125 total cpu time spent up to now is 258.2 secs Computing kpt #: 126 total cpu time spent up to now is 260.1 secs Computing kpt #: 127 total cpu time spent up to now is 262.0 secs Computing kpt #: 128 total cpu time spent up to now is 264.0 secs Computing kpt #: 129 total cpu time spent up to now is 266.8 secs Computing kpt #: 130 total cpu time spent up to now is 269.4 secs Computing kpt #: 131 total cpu time spent up to now is 271.8 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.8 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.8 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.9 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.9 secs Computing kpt #: 136 total cpu time spent up to now is 286.7 secs Computing kpt #: 137 total cpu time spent up to now is 289.5 secs Computing kpt #: 138 total cpu time spent up to now is 292.1 secs Computing kpt #: 139 total cpu time spent up to now is 294.7 secs Computing kpt #: 140 total cpu time spent up to now is 297.5 secs Computing kpt #: 141 total cpu time spent up to now is 300.5 secs Computing kpt #: 142 total cpu time spent up to now is 303.3 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 306.4 secs Computing kpt #: 144 total cpu time spent up to now is 309.0 secs Computing kpt #: 145 total cpu time spent up to now is 310.7 secs Computing kpt #: 146 total cpu time spent up to now is 312.4 secs Computing kpt #: 147 total cpu time spent up to now is 314.1 secs Computing kpt #: 148 total cpu time spent up to now is 315.7 secs Computing kpt #: 149 total cpu time spent up to now is 317.4 secs Computing kpt #: 150 total cpu time spent up to now is 319.1 secs Computing kpt #: 151 total cpu time spent up to now is 320.7 secs Computing kpt #: 152 total cpu time spent up to now is 322.4 secs Computing kpt #: 153 total cpu time spent up to now is 324.1 secs Computing kpt #: 154 total cpu time spent up to now is 325.8 secs Computing kpt #: 155 total cpu time spent up to now is 327.4 secs Computing kpt #: 156 total cpu time spent up to now is 329.0 secs Computing kpt #: 157 total cpu time spent up to now is 330.6 secs Computing kpt #: 158 total cpu time spent up to now is 332.1 secs Computing kpt #: 159 total cpu time spent up to now is 333.6 secs Computing kpt #: 160 total cpu time spent up to now is 335.1 secs Computing kpt #: 161 total cpu time spent up to now is 336.6 secs Computing kpt #: 162 total cpu time spent up to now is 338.1 secs Computing kpt #: 163 total cpu time spent up to now is 339.5 secs Computing kpt #: 164 total cpu time spent up to now is 340.9 secs Computing kpt #: 165 total cpu time spent up to now is 342.3 secs Computing kpt #: 166 total cpu time spent up to now is 343.7 secs Computing kpt #: 167 total cpu time spent up to now is 345.1 secs Computing kpt #: 168 total cpu time spent up to now is 346.4 secs Computing kpt #: 169 total cpu time spent up to now is 347.8 secs Computing kpt #: 170 total cpu time spent up to now is 349.2 secs Computing kpt #: 171 total cpu time spent up to now is 350.6 secs Computing kpt #: 172 total cpu time spent up to now is 352.0 secs Computing kpt #: 173 total cpu time spent up to now is 353.4 secs Computing kpt #: 174 total cpu time spent up to now is 354.7 secs Computing kpt #: 175 total cpu time spent up to now is 356.2 secs Computing kpt #: 176 total cpu time spent up to now is 357.6 secs Computing kpt #: 177 total cpu time spent up to now is 358.9 secs Computing kpt #: 178 total cpu time spent up to now is 360.3 secs Computing kpt #: 179 total cpu time spent up to now is 361.7 secs Computing kpt #: 180 total cpu time spent up to now is 363.0 secs Computing kpt #: 181 total cpu time spent up to now is 364.4 secs Computing kpt #: 182 total cpu time spent up to now is 365.7 secs Computing kpt #: 183 total cpu time spent up to now is 367.1 secs Computing kpt #: 184 total cpu time spent up to now is 368.4 secs Computing kpt #: 185 total cpu time spent up to now is 369.8 secs Computing kpt #: 186 total cpu time spent up to now is 371.1 secs Computing kpt #: 187 total cpu time spent up to now is 372.6 secs Computing kpt #: 188 total cpu time spent up to now is 374.0 secs Computing kpt #: 189 total cpu time spent up to now is 375.2 secs Computing kpt #: 190 total cpu time spent up to now is 376.5 secs Computing kpt #: 191 total cpu time spent up to now is 377.8 secs Computing kpt #: 192 total cpu time spent up to now is 379.1 secs Computing kpt #: 193 total cpu time spent up to now is 380.4 secs Computing kpt #: 194 total cpu time spent up to now is 381.7 secs Computing kpt #: 195 total cpu time spent up to now is 383.0 secs Computing kpt #: 196 total cpu time spent up to now is 384.3 secs Computing kpt #: 197 total cpu time spent up to now is 385.7 secs Computing kpt #: 198 total cpu time spent up to now is 387.0 secs Computing kpt #: 199 total cpu time spent up to now is 388.3 secs Computing kpt #: 200 total cpu time spent up to now is 389.6 secs Computing kpt #: 201 total cpu time spent up to now is 391.0 secs Computing kpt #: 202 total cpu time spent up to now is 392.4 secs Computing kpt #: 203 total cpu time spent up to now is 393.8 secs Computing kpt #: 204 total cpu time spent up to now is 395.2 secs Computing kpt #: 205 total cpu time spent up to now is 396.7 secs Computing kpt #: 206 total cpu time spent up to now is 398.1 secs Computing kpt #: 207 total cpu time spent up to now is 399.6 secs Computing kpt #: 208 total cpu time spent up to now is 401.1 secs Computing kpt #: 209 total cpu time spent up to now is 402.6 secs Computing kpt #: 210 total cpu time spent up to now is 404.1 secs Computing kpt #: 211 total cpu time spent up to now is 405.9 secs Computing kpt #: 212 total cpu time spent up to now is 407.4 secs Computing kpt #: 213 total cpu time spent up to now is 409.1 secs Computing kpt #: 214 total cpu time spent up to now is 410.6 secs Computing kpt #: 215 total cpu time spent up to now is 412.2 secs Computing kpt #: 216 total cpu time spent up to now is 413.8 secs Computing kpt #: 217 total cpu time spent up to now is 415.4 secs Computing kpt #: 218 total cpu time spent up to now is 417.3 secs Computing kpt #: 219 total cpu time spent up to now is 419.0 secs Computing kpt #: 220 total cpu time spent up to now is 421.1 secs Computing kpt #: 221 total cpu time spent up to now is 423.0 secs Computing kpt #: 222 total cpu time spent up to now is 424.9 secs Computing kpt #: 223 total cpu time spent up to now is 426.8 secs Computing kpt #: 224 total cpu time spent up to now is 428.5 secs Computing kpt #: 225 total cpu time spent up to now is 430.4 secs Computing kpt #: 226 total cpu time spent up to now is 432.1 secs Computing kpt #: 227 total cpu time spent up to now is 433.8 secs Computing kpt #: 228 total cpu time spent up to now is 435.4 secs Computing kpt #: 229 total cpu time spent up to now is 437.1 secs Computing kpt #: 230 total cpu time spent up to now is 438.8 secs Computing kpt #: 231 total cpu time spent up to now is 440.3 secs Computing kpt #: 232 total cpu time spent up to now is 441.9 secs Computing kpt #: 233 total cpu time spent up to now is 443.4 secs Computing kpt #: 234 total cpu time spent up to now is 445.0 secs Computing kpt #: 235 total cpu time spent up to now is 446.7 secs Computing kpt #: 236 total cpu time spent up to now is 448.3 secs Computing kpt #: 237 total cpu time spent up to now is 449.8 secs Computing kpt #: 238 total cpu time spent up to now is 451.4 secs Computing kpt #: 239 total cpu time spent up to now is 453.1 secs Computing kpt #: 240 total cpu time spent up to now is 454.6 secs Computing kpt #: 241 total cpu time spent up to now is 456.5 secs Computing kpt #: 242 total cpu time spent up to now is 458.0 secs Computing kpt #: 243 total cpu time spent up to now is 459.5 secs Computing kpt #: 244 total cpu time spent up to now is 461.0 secs Computing kpt #: 245 total cpu time spent up to now is 462.4 secs Computing kpt #: 246 total cpu time spent up to now is 463.8 secs Computing kpt #: 247 total cpu time spent up to now is 465.2 secs Computing kpt #: 248 total cpu time spent up to now is 466.7 secs Computing kpt #: 249 total cpu time spent up to now is 468.3 secs Computing kpt #: 250 total cpu time spent up to now is 469.8 secs Computing kpt #: 251 total cpu time spent up to now is 471.2 secs Computing kpt #: 252 total cpu time spent up to now is 472.6 secs Computing kpt #: 253 total cpu time spent up to now is 474.0 secs Computing kpt #: 254 total cpu time spent up to now is 475.3 secs Computing kpt #: 255 total cpu time spent up to now is 476.7 secs Computing kpt #: 256 total cpu time spent up to now is 478.1 secs Computing kpt #: 257 total cpu time spent up to now is 479.5 secs Computing kpt #: 258 total cpu time spent up to now is 480.9 secs Computing kpt #: 259 total cpu time spent up to now is 482.3 secs Computing kpt #: 260 total cpu time spent up to now is 483.7 secs Computing kpt #: 261 total cpu time spent up to now is 485.1 secs Computing kpt #: 262 total cpu time spent up to now is 486.6 secs Computing kpt #: 263 total cpu time spent up to now is 488.1 secs Computing kpt #: 264 total cpu time spent up to now is 489.5 secs Computing kpt #: 265 total cpu time spent up to now is 491.0 secs Computing kpt #: 266 total cpu time spent up to now is 492.6 secs Computing kpt #: 267 total cpu time spent up to now is 494.2 secs Computing kpt #: 268 total cpu time spent up to now is 495.8 secs Computing kpt #: 269 total cpu time spent up to now is 497.5 secs Computing kpt #: 270 total cpu time spent up to now is 499.3 secs Computing kpt #: 271 total cpu time spent up to now is 501.3 secs Computing kpt #: 272 total cpu time spent up to now is 503.0 secs Computing kpt #: 273 total cpu time spent up to now is 504.7 secs Computing kpt #: 274 total cpu time spent up to now is 505.9 secs Computing kpt #: 275 total cpu time spent up to now is 507.3 secs Computing kpt #: 276 total cpu time spent up to now is 508.6 secs Computing kpt #: 277 total cpu time spent up to now is 509.9 secs Computing kpt #: 278 total cpu time spent up to now is 511.3 secs Computing kpt #: 279 total cpu time spent up to now is 512.6 secs Computing kpt #: 280 total cpu time spent up to now is 513.9 secs Computing kpt #: 281 total cpu time spent up to now is 515.2 secs Computing kpt #: 282 total cpu time spent up to now is 516.6 secs Computing kpt #: 283 total cpu time spent up to now is 517.9 secs Computing kpt #: 284 total cpu time spent up to now is 519.2 secs Computing kpt #: 285 total cpu time spent up to now is 520.5 secs Computing kpt #: 286 total cpu time spent up to now is 521.8 secs Computing kpt #: 287 total cpu time spent up to now is 523.2 secs Computing kpt #: 288 total cpu time spent up to now is 524.5 secs Computing kpt #: 289 total cpu time spent up to now is 525.9 secs Computing kpt #: 290 total cpu time spent up to now is 527.2 secs Computing kpt #: 291 total cpu time spent up to now is 528.6 secs Computing kpt #: 292 total cpu time spent up to now is 530.0 secs Computing kpt #: 293 total cpu time spent up to now is 531.4 secs Computing kpt #: 294 total cpu time spent up to now is 532.8 secs Computing kpt #: 295 total cpu time spent up to now is 534.4 secs Computing kpt #: 296 total cpu time spent up to now is 535.8 secs Computing kpt #: 297 total cpu time spent up to now is 537.4 secs Computing kpt #: 298 total cpu time spent up to now is 538.9 secs Computing kpt #: 299 total cpu time spent up to now is 540.6 secs Computing kpt #: 300 total cpu time spent up to now is 542.3 secs Computing kpt #: 301 total cpu time spent up to now is 544.0 secs Computing kpt #: 302 total cpu time spent up to now is 546.2 secs Computing kpt #: 303 total cpu time spent up to now is 548.1 secs Computing kpt #: 304 total cpu time spent up to now is 549.9 secs Computing kpt #: 305 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 553.1 secs Computing kpt #: 306 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.1 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 559.3 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 562.4 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 565.4 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 568.3 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 571.5 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 574.6 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 577.6 secs Computing kpt #: 314 total cpu time spent up to now is 579.4 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 582.3 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 585.4 secs Computing kpt #: 317 total cpu time spent up to now is 587.1 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 590.2 secs Computing kpt #: 319 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 593.2 secs Computing kpt #: 320 total cpu time spent up to now is 596.0 secs Computing kpt #: 321 total cpu time spent up to now is 598.6 secs Computing kpt #: 322 total cpu time spent up to now is 600.8 secs Computing kpt #: 323 total cpu time spent up to now is 602.9 secs ethr = 2.78E-11, avg # of iterations = 48.7 total cpu time spent up to now is 603.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2863 PWs) bands (ev): -6.7950 -6.7950 -6.3651 -6.3651 -2.4107 -2.4107 -2.3892 -2.3892 -2.3501 -2.3501 -1.9885 -1.9885 -1.8856 -1.8856 -1.7234 -1.7234 -1.5716 -1.5716 -1.5581 -1.5581 -1.4054 -1.4054 -1.1016 -1.1016 1.1939 1.1939 4.7799 4.7799 4.8195 4.8195 5.5120 5.5120 5.5635 5.5635 5.5770 5.5770 6.7891 6.7891 8.3440 8.3440 11.7991 11.7991 12.1429 12.1429 k = 0.0114 0.0066-0.0000 ( 2867 PWs) bands (ev): -6.7945 -6.7945 -6.3650 -6.3648 -2.4105 -2.4105 -2.3906 -2.3875 -2.3498 -2.3498 -1.9966 -1.9802 -1.8862 -1.8846 -1.7263 -1.7203 -1.5727 -1.5704 -1.5581 -1.5581 -1.4055 -1.4055 -1.1066 -1.0962 1.1943 1.1953 4.7741 4.7776 4.8156 4.8158 5.5080 5.5108 5.5550 5.5597 5.5721 5.5724 6.8000 6.8006 8.3487 8.3514 11.7939 11.8024 12.1406 12.1409 k = 0.0227 0.0131-0.0000 ( 2861 PWs) bands (ev): -6.7931 -6.7931 -6.3644 -6.3641 -2.4099 -2.4099 -2.3916 -2.3856 -2.3491 -2.3491 -2.0045 -1.9716 -1.8862 -1.8831 -1.7290 -1.7171 -1.5736 -1.5691 -1.5580 -1.5580 -1.4058 -1.4058 -1.1111 -1.0904 1.1966 1.1986 4.7586 4.7665 4.8049 4.8062 5.4925 5.5025 5.5298 5.5417 5.5654 5.5681 6.8323 6.8335 8.3653 8.3706 11.7867 11.8036 12.1338 12.1359 k = 0.0341 0.0197-0.0000 ( 2845 PWs) bands (ev): -6.7908 -6.7908 -6.3635 -6.3630 -2.4091 -2.4088 -2.3921 -2.3834 -2.3478 -2.3478 -2.0121 -1.9629 -1.8858 -1.8811 -1.7315 -1.7137 -1.5744 -1.5676 -1.5580 -1.5579 -1.4062 -1.4061 -1.1152 -1.0843 1.2007 1.2037 4.7311 4.7435 4.7908 4.7936 5.4524 5.4658 5.5106 5.5259 5.5587 5.5639 6.8826 6.8845 8.3935 8.4012 11.7763 11.8013 12.1236 12.1299 k = 0.0455 0.0262-0.0000 ( 2845 PWs) bands (ev): -6.7875 -6.7875 -6.3621 -6.3614 -2.4080 -2.4073 -2.3921 -2.3810 -2.3462 -2.3460 -2.0195 -1.9540 -1.8849 -1.8787 -1.7337 -1.7103 -1.5751 -1.5661 -1.5579 -1.5578 -1.4069 -1.4066 -1.1189 -1.0778 1.2066 1.2107 4.6914 4.7073 4.7753 4.7790 5.3896 5.4023 5.5009 5.5156 5.5507 5.5582 6.9473 6.9500 8.4325 8.4423 11.7612 11.7933 12.1129 12.1250 k = 0.0568 0.0328-0.0000 ( 2845 PWs) bands (ev): -6.7833 -6.7833 -6.3603 -6.3595 -2.4070 -2.4054 -2.3913 -2.3785 -2.3440 -2.3437 -2.0267 -1.9450 -1.8835 -1.8758 -1.7356 -1.7068 -1.5756 -1.5645 -1.5579 -1.5576 -1.4078 -1.4073 -1.1220 -1.0711 1.2143 1.2195 4.6404 4.6592 4.7582 4.7622 5.3131 5.3258 5.4909 5.5061 5.5411 5.5506 7.0225 7.0261 8.4813 8.4929 11.7401 11.7770 12.1054 12.1234 k = 0.0682 0.0394-0.0000 ( 2841 PWs) bands (ev): -6.7783 -6.7782 -6.3581 -6.3572 -2.4061 -2.4031 -2.3896 -2.3757 -2.3414 -2.3409 -2.0336 -1.9359 -1.8816 -1.8725 -1.7372 -1.7032 -1.5761 -1.5627 -1.5578 -1.5574 -1.4089 -1.4080 -1.1247 -1.0641 1.2238 1.2301 4.5797 4.6008 4.7389 4.7430 5.2274 5.2408 5.4794 5.4957 5.5297 5.5412 7.1054 7.1100 8.5389 8.5519 11.7118 11.7506 12.1043 12.1269 k = 0.0795 0.0459-0.0000 ( 2845 PWs) bands (ev): -6.7723 -6.7723 -6.3556 -6.3545 -2.4055 -2.4005 -2.3868 -2.3728 -2.3383 -2.3376 -2.0403 -1.9268 -1.8793 -1.8688 -1.7384 -1.6997 -1.5764 -1.5609 -1.5576 -1.5570 -1.4101 -1.4088 -1.1268 -1.0569 1.2349 1.2424 4.5105 4.5335 4.7170 4.7212 5.1354 5.1496 5.4660 5.4838 5.5166 5.5300 7.1938 7.1992 8.6040 8.6180 11.6763 11.7138 12.1109 12.1362 k = 0.0909 0.0525-0.0000 ( 2853 PWs) bands (ev): -6.7655 -6.7655 -6.3527 -6.3514 -2.4051 -2.3975 -2.3830 -2.3697 -2.3348 -2.3338 -2.0467 -1.9176 -1.8764 -1.8647 -1.7392 -1.6962 -1.5766 -1.5591 -1.5574 -1.5563 -1.4116 -1.4097 -1.1284 -1.0496 1.2478 1.2564 4.4339 4.4587 4.6925 4.6969 5.0390 5.0542 5.4509 5.4703 5.5018 5.5169 7.2857 7.2922 8.6752 8.6898 11.6343 11.6683 12.1249 12.1515 k = 0.1023 0.0590-0.0000 ( 2845 PWs) bands (ev): -6.7579 -6.7579 -6.3495 -6.3480 -2.4048 -2.3942 -2.3782 -2.3664 -2.3309 -2.3294 -2.0528 -1.9084 -1.8731 -1.8602 -1.7394 -1.6928 -1.5766 -1.5575 -1.5571 -1.5552 -1.4131 -1.4105 -1.1294 -1.0420 1.2622 1.2721 4.3512 4.3773 4.6656 4.6702 4.9395 4.9556 5.4338 5.4550 5.4854 5.5021 7.3802 7.3877 8.7512 8.7661 11.5870 11.6164 12.1447 12.1721 k = 0.1136 0.0656-0.0000 ( 2841 PWs) bands (ev): -6.7495 -6.7494 -6.3459 -6.3443 -2.4044 -2.3907 -2.3726 -2.3629 -2.3265 -2.3245 -2.0588 -1.8994 -1.8694 -1.8553 -1.7392 -1.6895 -1.5766 -1.5566 -1.5563 -1.5533 -1.4148 -1.4113 -1.1299 -1.0342 1.2781 1.2894 4.2634 4.2905 4.6365 4.6411 4.8379 4.8549 5.4149 5.4379 5.4675 5.4856 7.4760 7.4845 8.8306 8.8453 11.5362 11.5604 12.1685 12.1974 k = 0.1250 0.0722-0.0000 ( 2841 PWs) bands (ev): -6.7403 -6.7403 -6.3421 -6.3404 -2.4041 -2.3870 -2.3661 -2.3592 -2.3218 -2.3192 -2.0644 -1.8905 -1.8652 -1.8501 -1.7384 -1.6862 -1.5764 -1.5560 -1.5553 -1.5509 -1.4166 -1.4121 -1.1299 -1.0263 1.2955 1.3081 4.1713 4.1992 4.6053 4.6097 4.7352 4.7528 5.3941 5.4190 5.4481 5.4675 7.5725 7.5821 8.9121 8.9263 11.4833 11.5024 12.1942 12.2262 k = 0.1364 0.0787-0.0000 ( 2839 PWs) bands (ev): -6.7304 -6.7304 -6.3380 -6.3361 -2.4037 -2.3832 -2.3588 -2.3553 -2.3166 -2.3133 -2.0699 -1.8818 -1.8606 -1.8445 -1.7368 -1.6832 -1.5761 -1.5551 -1.5543 -1.5482 -1.4184 -1.4128 -1.1293 -1.0183 1.3142 1.3282 4.0759 4.1044 4.5723 4.5752 4.6326 4.6497 5.3714 5.3983 5.4273 5.4478 7.6692 7.6798 8.9941 9.0074 11.4298 11.4442 12.2189 12.2575 k = 0.1477 0.0853-0.0000 ( 2843 PWs) bands (ev): -6.7198 -6.7198 -6.3337 -6.3317 -2.4032 -2.3793 -2.3511 -2.3508 -2.3111 -2.3070 -2.0751 -1.8734 -1.8556 -1.8386 -1.7346 -1.6803 -1.5758 -1.5540 -1.5532 -1.5452 -1.4203 -1.4134 -1.1282 -1.0102 1.3341 1.3496 3.9780 4.0069 4.5187 4.5376 4.5460 4.5501 5.3468 5.3758 5.4052 5.4266 7.7655 7.7771 9.0753 9.0875 11.3773 11.3873 12.2388 12.2899 k = 0.1591 0.0919-0.0000 ( 2855 PWs) bands (ev): -6.7086 -6.7086 -6.3292 -6.3270 -2.4026 -2.3754 -2.3468 -2.3421 -2.3052 -2.3002 -2.0802 -1.8654 -1.8503 -1.8324 -1.7316 -1.6776 -1.5754 -1.5525 -1.5520 -1.5419 -1.4221 -1.4139 -1.1267 -1.0020 1.3552 1.3721 3.8784 3.9075 4.4184 4.4421 4.5014 4.5097 5.3203 5.3514 5.3820 5.4041 7.8609 7.8735 9.1543 9.1651 11.3268 11.3330 12.2474 12.3201 k = 0.1705 0.0984-0.0000 ( 2853 PWs) bands (ev): -6.6968 -6.6968 -6.3245 -6.3222 -2.4019 -2.3716 -2.3421 -2.3326 -2.2988 -2.2929 -2.0849 -1.8580 -1.8446 -1.8259 -1.7276 -1.6751 -1.5750 -1.5507 -1.5505 -1.5383 -1.4239 -1.4142 -1.1245 -0.9937 1.3771 1.3956 3.7779 3.8069 4.3144 4.3382 4.4641 4.4719 5.2920 5.3252 5.3577 5.3803 7.9552 7.9688 9.2296 9.2387 11.2795 11.2822 12.2381 12.3331 k = 0.1818 0.1050-0.0000 ( 2849 PWs) bands (ev): -6.6845 -6.6845 -6.3197 -6.3173 -2.4011 -2.3679 -2.3371 -2.3223 -2.2921 -2.2852 -2.0895 -1.8512 -1.8385 -1.8191 -1.7228 -1.6728 -1.5745 -1.5494 -1.5481 -1.5344 -1.4256 -1.4143 -1.1219 -0.9854 1.3999 1.4199 3.6770 3.7059 4.2103 4.2345 4.4259 4.4336 5.2618 5.2972 5.3326 5.3554 8.0479 8.0625 9.3000 9.3073 11.2357 11.2361 12.2104 12.2996 k = 0.1932 0.1115-0.0000 ( 2850 PWs) bands (ev): -6.6717 -6.6717 -6.3147 -6.3122 -2.4002 -2.3645 -2.3318 -2.3115 -2.2851 -2.2769 -2.0939 -1.8450 -1.8321 -1.8121 -1.7171 -1.6707 -1.5740 -1.5480 -1.5452 -1.5300 -1.4272 -1.4142 -1.1189 -0.9770 1.4232 1.4448 3.5765 3.6051 4.1066 4.1314 4.3869 4.3946 5.2298 5.2674 5.3067 5.3297 8.1388 8.1543 9.3641 9.3695 11.1943 11.1975 12.1701 12.2466 k = 0.2045 0.1181-0.0000 ( 2848 PWs) bands (ev): -6.6585 -6.6584 -6.3098 -6.3071 -2.3991 -2.3612 -2.3263 -2.3000 -2.2777 -2.2682 -2.0982 -1.8396 -1.8254 -1.8050 -1.7105 -1.6688 -1.5734 -1.5466 -1.5417 -1.5253 -1.4285 -1.4139 -1.1154 -0.9686 1.4468 1.4700 3.4769 3.5051 4.0038 4.0291 4.3473 4.3552 5.1961 5.2358 5.2801 5.3031 8.2276 8.2439 9.4208 9.4243 11.1583 11.1638 12.1235 12.1903 k = 0.2159 0.1247-0.0000 ( 2850 PWs) bands (ev): -6.6449 -6.6448 -6.3047 -6.3020 -2.3980 -2.3582 -2.3206 -2.2881 -2.2700 -2.2588 -2.1022 -1.8348 -1.8186 -1.7977 -1.7030 -1.6670 -1.5728 -1.5453 -1.5375 -1.5202 -1.4297 -1.4134 -1.1114 -0.9602 1.4704 1.4952 3.3789 3.4065 3.9020 3.9277 4.3074 4.3154 5.1605 5.2023 5.2531 5.2760 8.3139 8.3310 9.4695 9.4711 11.1276 11.1353 12.0743 12.1343 k = 0.2273 0.1312-0.0000 ( 2850 PWs) bands (ev): -6.6310 -6.6308 -6.2997 -6.2969 -2.3968 -2.3555 -2.3147 -2.2759 -2.2620 -2.2488 -2.1061 -1.8305 -1.8117 -1.7902 -1.6947 -1.6654 -1.5721 -1.5439 -1.5328 -1.5146 -1.4305 -1.4126 -1.1071 -0.9519 1.4937 1.5200 3.2830 3.3100 3.8015 3.8276 4.2674 4.2755 5.1234 5.1671 5.2258 5.2484 8.3975 8.4154 9.5094 9.5096 11.1021 11.1115 12.0248 12.0798 k = 0.2386 0.1378-0.0000 ( 2848 PWs) bands (ev): -6.6168 -6.6167 -6.2948 -6.2919 -2.3955 -2.3530 -2.3085 -2.2636 -2.2538 -2.2379 -2.1098 -1.8268 -1.8048 -1.7827 -1.6857 -1.6638 -1.5712 -1.5427 -1.5275 -1.5086 -1.4309 -1.4115 -1.1024 -0.9436 1.5163 1.5442 3.1898 3.2162 3.7026 3.7291 4.2275 4.2356 5.0846 5.1302 5.1983 5.2206 8.4782 8.4966 9.5392 9.5409 11.0810 11.0918 11.9768 12.0281 k = 0.2500 0.1443-0.0000 ( 2854 PWs) bands (ev): -6.6025 -6.6023 -6.2899 -6.2869 -2.3941 -2.3508 -2.3024 -2.2515 -2.2453 -2.2259 -2.1134 -1.8236 -1.7981 -1.7752 -1.6761 -1.6622 -1.5703 -1.5416 -1.5216 -1.5021 -1.4309 -1.4101 -1.0973 -0.9354 1.5378 1.5671 3.1000 3.1256 3.6057 3.6324 4.1878 4.1960 5.0444 5.0916 5.1708 5.1926 8.5555 8.5746 9.5608 9.5639 11.0634 11.0751 11.9312 11.9798 k = 0.2614 0.1509-0.0000 ( 2852 PWs) bands (ev): -6.5880 -6.5878 -6.2851 -6.2821 -2.3927 -2.3489 -2.2962 -2.2400 -2.2366 -2.2127 -2.1168 -1.8208 -1.7916 -1.7678 -1.6660 -1.6606 -1.5691 -1.5405 -1.5152 -1.4952 -1.4302 -1.4085 -1.0920 -0.9275 1.5576 1.5882 3.0141 3.0388 3.5112 3.5380 4.1486 4.1568 5.0028 5.0514 5.1433 5.1647 8.6294 8.6489 9.5749 9.5791 11.0482 11.0604 11.8893 11.9360 k = 0.2727 0.1575-0.0000 ( 2856 PWs) bands (ev): -6.5735 -6.5732 -6.2805 -6.2774 -2.3911 -2.3472 -2.2900 -2.2291 -2.2278 -2.1982 -2.1201 -1.8185 -1.7853 -1.7605 -1.6588 -1.6556 -1.5676 -1.5396 -1.5084 -1.4878 -1.4287 -1.4066 -1.0865 -0.9198 1.5753 1.6069 2.9326 2.9565 3.4195 3.4463 4.1099 4.1181 4.9599 5.0098 5.1162 5.1370 8.6995 8.7194 9.5824 9.5874 11.0341 11.0463 11.8519 11.8973 k = 0.2841 0.1640-0.0000 ( 2852 PWs) bands (ev): -6.5589 -6.5586 -6.2760 -6.2729 -2.3895 -2.3458 -2.2838 -2.2189 -2.2188 -2.1827 -2.1232 -1.8166 -1.7792 -1.7535 -1.6568 -1.6451 -1.5658 -1.5387 -1.5015 -1.4800 -1.4261 -1.4044 -1.0809 -0.9124 1.5900 1.6226 2.8560 2.8791 3.3312 3.3579 4.0721 4.0803 4.9159 4.9669 5.0894 5.1097 8.7656 8.7858 9.5843 9.5899 11.0199 11.0316 11.8199 11.8645 k = 0.2955 0.1706-0.0000 ( 2860 PWs) bands (ev): -6.5445 -6.5441 -6.2718 -6.2686 -2.3879 -2.3446 -2.2777 -2.2099 -2.2090 -2.1665 -2.1259 -1.8151 -1.7735 -1.7468 -1.6545 -1.6348 -1.5636 -1.5379 -1.4947 -1.4719 -1.4220 -1.4018 -1.0753 -0.9056 1.6014 1.6345 2.7846 2.8069 3.2469 3.2736 4.0352 4.0433 4.8710 4.9228 5.0631 5.0828 8.8276 8.8480 9.5816 9.5877 11.0046 11.0155 11.7939 11.8381 k = 0.3068 0.1771-0.0000 ( 2862 PWs) bands (ev): -6.5302 -6.5297 -6.2678 -6.2646 -2.3862 -2.3437 -2.2717 -2.2010 -2.1997 -2.1500 -2.1280 -1.8140 -1.7681 -1.7406 -1.6518 -1.6249 -1.5609 -1.5372 -1.4883 -1.4634 -1.4160 -1.3989 -1.0697 -0.8992 1.6087 1.6421 2.7186 2.7401 3.1677 3.1942 3.9995 4.0074 4.8254 4.8777 5.0375 5.0565 8.8854 8.9058 9.5754 9.5817 10.9876 10.9972 11.7745 11.8185 k = 0.3182 0.1837-0.0000 ( 2856 PWs) bands (ev): -6.5160 -6.5156 -6.2641 -6.2609 -2.3845 -2.3430 -2.2657 -2.1921 -2.1910 -2.1376 -2.1254 -1.8133 -1.7630 -1.7349 -1.6486 -1.6156 -1.5574 -1.5366 -1.4827 -1.4547 -1.4077 -1.3954 -1.0644 -0.8936 1.6115 1.6448 2.6575 2.6785 3.0947 3.1209 3.9649 3.9727 4.7792 4.8318 5.0127 5.0309 8.9387 8.9591 9.5667 9.5730 10.9683 10.9765 11.7619 11.8056 k = 0.3295 0.1903-0.0000 ( 2858 PWs) bands (ev): -6.5022 -6.5017 -6.2607 -6.2575 -2.3827 -2.3425 -2.2600 -2.1834 -2.1829 -2.1364 -2.1108 -1.8132 -1.7582 -1.7298 -1.6450 -1.6075 -1.5532 -1.5360 -1.4778 -1.4460 -1.3970 -1.3912 -1.0595 -0.8889 1.6097 1.6423 2.6009 2.6213 3.0290 3.0551 3.9318 3.9393 4.7327 4.7854 4.9888 5.0062 8.9877 9.0078 9.5561 9.5624 10.9468 10.9535 11.7561 11.7994 k = 0.3409 0.1968-0.0000 ( 2858 PWs) bands (ev): -6.4887 -6.4881 -6.2575 -6.2544 -2.3809 -2.3423 -2.2543 -2.1756 -2.1749 -2.1376 -2.0931 -1.8134 -1.7537 -1.7254 -1.6407 -1.6005 -1.5483 -1.5354 -1.4737 -1.4376 -1.3860 -1.3837 -1.0551 -0.8852 1.6032 1.6347 2.5474 2.5674 2.9722 2.9981 3.9002 3.9074 4.6863 4.7386 4.9659 4.9824 9.0323 9.0521 9.5444 9.5504 10.9233 10.9286 11.7566 11.7994 k = 0.3523 0.2034-0.0000 ( 2862 PWs) bands (ev): -6.4756 -6.4750 -6.2547 -6.2517 -2.3791 -2.3422 -2.2488 -2.1695 -2.1666 -2.1384 -2.0750 -1.8142 -1.7494 -1.7218 -1.6360 -1.5949 -1.5429 -1.5349 -1.4702 -1.4299 -1.3793 -1.3681 -1.0515 -0.8827 1.5925 1.6224 2.4959 2.5153 2.9256 2.9514 3.8702 3.8772 4.6401 4.6918 4.9442 4.9597 9.0726 9.0919 9.5322 9.5379 10.8983 10.9023 11.7631 11.8050 k = 0.3636 0.2099-0.0000 ( 2874 PWs) bands (ev): -6.4630 -6.4623 -6.2523 -6.2493 -2.3773 -2.3424 -2.2435 -2.1653 -2.1588 -2.1381 -2.0567 -1.8155 -1.7455 -1.7188 -1.6309 -1.5903 -1.5373 -1.5343 -1.4669 -1.4234 -1.3709 -1.3504 -1.0487 -0.8816 1.5782 1.6062 2.4452 2.4639 2.8898 2.9156 3.8420 3.8486 4.5945 4.6452 4.9236 4.9382 9.1086 9.1274 9.5200 9.5251 10.8723 10.8751 11.7746 11.8153 k = 0.3750 0.2165-0.0000 ( 2866 PWs) bands (ev): -6.4509 -6.4502 -6.2501 -6.2472 -2.3754 -2.3428 -2.2383 -2.1632 -2.1513 -2.1360 -2.0386 -1.8173 -1.7418 -1.7164 -1.6255 -1.5867 -1.5337 -1.5320 -1.4636 -1.4182 -1.3603 -1.3307 -1.0470 -0.8821 1.5613 1.5871 2.3945 2.4125 2.8651 2.8907 3.8156 3.8219 4.5500 4.5992 4.9045 4.9180 9.1407 9.1588 9.5079 9.5126 10.8460 10.8479 11.7904 11.8296 k = 0.3864 0.2231-0.0000 ( 2868 PWs) bands (ev): -6.4395 -6.4388 -6.2484 -6.2456 -2.3736 -2.3433 -2.2332 -2.1631 -2.1442 -2.1326 -2.0208 -1.8197 -1.7384 -1.7146 -1.6199 -1.5838 -1.5331 -1.5273 -1.4602 -1.4144 -1.3479 -1.3095 -1.0464 -0.8843 1.5428 1.5663 2.3440 2.3611 2.8504 2.8757 3.7913 3.7971 4.5069 4.5543 4.8867 4.8992 9.1689 9.1862 9.4965 9.5005 10.8200 10.8211 11.8096 11.8468 k = 0.3977 0.2296-0.0000 ( 2866 PWs) bands (ev): -6.4288 -6.4280 -6.2469 -6.2442 -2.3717 -2.3440 -2.2284 -2.1643 -2.1377 -2.1284 -2.0035 -1.8227 -1.7352 -1.7133 -1.6142 -1.5814 -1.5324 -1.5234 -1.4564 -1.4117 -1.3337 -1.2870 -1.0471 -0.8885 1.5239 1.5448 2.2943 2.3102 2.8443 2.8692 3.7690 3.7743 4.4657 4.5107 4.8704 4.8818 9.1936 9.2099 9.4857 9.4891 10.7948 10.7953 11.8311 11.8661 k = 0.4091 0.2362-0.0000 ( 2868 PWs) bands (ev): -6.4188 -6.4180 -6.2457 -6.2433 -2.3699 -2.3448 -2.2236 -2.1663 -2.1317 -2.1240 -1.9867 -1.8263 -1.7322 -1.7125 -1.6086 -1.5795 -1.5316 -1.5205 -1.4524 -1.4099 -1.3181 -1.2638 -1.0490 -0.8947 1.5053 1.5237 2.2463 2.2609 2.8451 2.8691 3.7488 3.7537 4.4269 4.4691 4.8557 4.8659 9.2149 9.2301 9.4759 9.4787 10.7711 10.7711 11.8542 11.8864 k = 0.4205 0.2427-0.0000 ( 2870 PWs) bands (ev): -6.4097 -6.4090 -6.2448 -6.2426 -2.3680 -2.3458 -2.2191 -2.1687 -2.1263 -2.1199 -1.9706 -1.8305 -1.7295 -1.7120 -1.6033 -1.5781 -1.5308 -1.5186 -1.4480 -1.4090 -1.3013 -1.2403 -1.0520 -0.9031 1.4880 1.5039 2.2010 2.2142 2.8509 2.8736 3.7309 3.7352 4.3910 4.4298 4.8427 4.8517 9.2331 9.2470 9.4671 9.4692 10.7489 10.7491 11.8776 11.9069 k = 0.4318 0.2493-0.0000 ( 2870 PWs) bands (ev): -6.4016 -6.4008 -6.2442 -6.2422 -2.3661 -2.3469 -2.2146 -2.1714 -2.1214 -2.1161 -1.9551 -1.8354 -1.7269 -1.7118 -1.5982 -1.5769 -1.5298 -1.5175 -1.4435 -1.4087 -1.2837 -1.2173 -1.0556 -0.9136 1.4725 1.4859 2.1594 2.1710 2.8600 2.8809 3.7153 3.7191 4.3587 4.3936 4.8313 4.8391 9.2486 9.2610 9.4594 9.4609 10.7290 10.7294 11.9007 11.9265 k = 0.4432 0.2559-0.0000 ( 2878 PWs) bands (ev): -6.3944 -6.3938 -6.2438 -6.2420 -2.3643 -2.3481 -2.2104 -2.1744 -2.1173 -2.1130 -1.9405 -1.8410 -1.7246 -1.7119 -1.5936 -1.5761 -1.5287 -1.5172 -1.4389 -1.4091 -1.2656 -1.1961 -1.0589 -0.9263 1.4592 1.4702 2.1226 2.1325 2.8709 2.8895 3.7020 3.7052 4.3306 4.3609 4.8218 4.8283 9.2614 9.2722 9.4527 9.4538 10.7116 10.7122 11.9223 11.9445 k = 0.4545 0.2624-0.0000 ( 2874 PWs) bands (ev): -6.3884 -6.3879 -6.2435 -6.2420 -2.3625 -2.3494 -2.2062 -2.1774 -2.1137 -2.1103 -1.9267 -1.8473 -1.7225 -1.7123 -1.5894 -1.5757 -1.5275 -1.5174 -1.4344 -1.4100 -1.2472 -1.1786 -1.0602 -0.9411 1.4485 1.4572 2.0913 2.0994 2.8822 2.8980 3.6911 3.6937 4.3072 4.3323 4.8140 4.8193 9.2719 9.2808 9.4473 9.4479 10.6972 10.6977 11.9418 11.9600 k = 0.4659 0.2690-0.0000 ( 2868 PWs) bands (ev): -6.3836 -6.3832 -6.2433 -6.2421 -2.3607 -2.3508 -2.2022 -2.1806 -2.1109 -2.1083 -1.9137 -1.8543 -1.7205 -1.7128 -1.5858 -1.5757 -1.5262 -1.5181 -1.4301 -1.4115 -1.2290 -1.1676 -1.0570 -0.9576 1.4405 1.4469 2.0663 2.0725 2.8929 2.9053 3.6827 3.6847 4.2892 4.3086 4.8081 4.8120 9.2801 9.2871 9.4430 9.4433 10.6858 10.6863 11.9584 11.9722 k = 0.4773 0.2756-0.0000 ( 2870 PWs) bands (ev): -6.3801 -6.3798 -6.2431 -6.2423 -2.3589 -2.3523 -2.1983 -2.1839 -2.1087 -2.1070 -1.9017 -1.8621 -1.7188 -1.7136 -1.5828 -1.5761 -1.5248 -1.5192 -1.4260 -1.4135 -1.2115 -1.1651 -1.0475 -0.9758 1.4350 1.4393 2.0483 2.0525 2.9019 2.9105 3.6768 3.6781 4.2769 4.2901 4.8040 4.8066 9.2863 9.2911 9.4399 9.4400 10.6776 10.6779 11.9714 11.9807 k = 0.4886 0.2821-0.0000 ( 2874 PWs) bands (ev): -6.3779 -6.3778 -6.2429 -6.2426 -2.3572 -2.3539 -2.1945 -2.1873 -2.1072 -2.1064 -1.8905 -1.8707 -1.7172 -1.7146 -1.5803 -1.5770 -1.5234 -1.5205 -1.4223 -1.4160 -1.1952 -1.1703 -1.0324 -0.9949 1.4322 1.4343 2.0377 2.0398 2.9086 2.9129 3.6733 3.6740 4.2708 4.2775 4.8018 4.8031 9.2905 9.2929 9.4380 9.4380 10.6727 10.6728 11.9803 11.9851 k = 0.5000 0.2887-0.0000 ( 2886 PWs) bands (ev): -6.3772 -6.3772 -6.2428 -6.2428 -2.3555 -2.3555 -2.1909 -2.1909 -2.1065 -2.1065 -1.8802 -1.8802 -1.7158 -1.7158 -1.5784 -1.5784 -1.5219 -1.5219 -1.4190 -1.4190 -1.1810 -1.1810 -1.0142 -1.0142 1.4320 1.4320 2.0349 2.0349 2.9123 2.9123 3.6724 3.6724 4.2710 4.2710 4.8015 4.8015 9.2927 9.2927 9.4374 9.4374 10.6711 10.6711 11.9849 11.9849 k = 0.5000 0.2887-0.0000 ( 2886 PWs) bands (ev): -6.3772 -6.3772 -6.2428 -6.2428 -2.3555 -2.3555 -2.1909 -2.1909 -2.1065 -2.1065 -1.8802 -1.8802 -1.7158 -1.7158 -1.5784 -1.5784 -1.5219 -1.5219 -1.4190 -1.4190 -1.1810 -1.1810 -1.0142 -1.0142 1.4320 1.4320 2.0349 2.0349 2.9123 2.9123 3.6724 3.6724 4.2710 4.2710 4.8015 4.8015 9.2927 9.2927 9.4374 9.4374 10.6711 10.6711 11.9849 11.9849 k = 0.4936 0.2998-0.0000 ( 2878 PWs) bands (ev): -6.3770 -6.3769 -6.2428 -6.2427 -2.3572 -2.3536 -2.1919 -2.1899 -2.1125 -2.1002 -1.8905 -1.8699 -1.7185 -1.7133 -1.5805 -1.5760 -1.5230 -1.5206 -1.4219 -1.4161 -1.1819 -1.1799 -1.0167 -1.0111 1.4323 1.4332 2.0344 2.0356 2.9126 2.9129 3.6668 3.6713 4.2697 4.2705 4.7973 4.7983 9.2974 9.2976 9.4429 9.4442 10.6698 10.6706 11.9839 11.9857 k = 0.4872 0.3109-0.0000 ( 2874 PWs) bands (ev): -6.3764 -6.3763 -6.2429 -6.2427 -2.3585 -2.3515 -2.1928 -2.1889 -2.1182 -2.0936 -1.9006 -1.8596 -1.7212 -1.7108 -1.5825 -1.5735 -1.5238 -1.5190 -1.4248 -1.4135 -1.1827 -1.1787 -1.0184 -1.0073 1.4341 1.4359 2.0343 2.0368 2.9137 2.9144 3.6546 3.6635 4.2667 4.2684 4.7858 4.7877 9.3116 9.3119 9.4608 9.4634 10.6668 10.6682 11.9824 11.9861 k = 0.4808 0.3220-0.0000 ( 2862 PWs) bands (ev): -6.3753 -6.3752 -6.2430 -6.2427 -2.3596 -2.3491 -2.1937 -2.1878 -2.1236 -2.0868 -1.9105 -1.8495 -1.7238 -1.7086 -1.5843 -1.5708 -1.5244 -1.5173 -1.4279 -1.4110 -1.1832 -1.1773 -1.0195 -1.0028 1.4374 1.4401 2.0345 2.0382 2.9155 2.9166 3.6360 3.6493 4.2621 4.2646 4.7673 4.7700 9.3350 9.3353 9.4908 9.4946 10.6620 10.6639 11.9807 11.9862 k = 0.4744 0.3331-0.0000 ( 2874 PWs) bands (ev): -6.3739 -6.3737 -6.2432 -6.2427 -2.3605 -2.3466 -2.1945 -2.1868 -2.1286 -2.0799 -1.9202 -1.8398 -1.7263 -1.7065 -1.5859 -1.5679 -1.5248 -1.5154 -1.4309 -1.4088 -1.1835 -1.1757 -1.0199 -0.9978 1.4423 1.4458 2.0349 2.0398 2.9180 2.9193 3.6118 3.6294 4.2558 4.2591 4.7421 4.7456 9.3672 9.3675 9.5323 9.5372 10.6553 10.6577 11.9789 11.9863 k = 0.4679 0.3442-0.0000 ( 2866 PWs) bands (ev): -6.3721 -6.3718 -6.2433 -6.2427 -2.3610 -2.3439 -2.1952 -2.1858 -2.1333 -2.0728 -1.9294 -1.8305 -1.7286 -1.7047 -1.5873 -1.5648 -1.5249 -1.5134 -1.4339 -1.4068 -1.1835 -1.1738 -1.0197 -0.9922 1.4486 1.4530 2.0356 2.0417 2.9207 2.9221 3.5827 3.6044 4.2478 4.2518 4.7110 4.7150 9.4074 9.4076 9.5847 9.5907 10.6468 10.6493 11.9769 11.9864 k = 0.4615 0.3553-0.0000 ( 2870 PWs) bands (ev): -6.3698 -6.3696 -6.2436 -6.2428 -2.3613 -2.3411 -2.1957 -2.1848 -2.1376 -2.0658 -1.9382 -1.8220 -1.7305 -1.7030 -1.5886 -1.5616 -1.5247 -1.5113 -1.4368 -1.4051 -1.1832 -1.1718 -1.0190 -0.9860 1.4565 1.4616 2.0364 2.0436 2.9232 2.9247 3.5497 3.5755 4.2380 4.2426 4.6746 4.6789 9.4549 9.4550 9.6473 9.6540 10.6363 10.6388 11.9751 11.9867 k = 0.4551 0.3664-0.0000 ( 2870 PWs) bands (ev): -6.3672 -6.3669 -6.2438 -6.2430 -2.3614 -2.3382 -2.1961 -2.1838 -2.1416 -2.0589 -1.9464 -1.8144 -1.7317 -1.7016 -1.5896 -1.5583 -1.5244 -1.5091 -1.4396 -1.4037 -1.1826 -1.1695 -1.0177 -0.9794 1.4659 1.4718 2.0372 2.0456 2.9249 2.9264 3.5143 3.5439 4.2265 4.2316 4.6337 4.6379 9.5088 9.5089 9.7191 9.7262 10.6239 10.6259 11.9738 11.9877 k = 0.4487 0.3775-0.0000 ( 2872 PWs) bands (ev): -6.3643 -6.3639 -6.2441 -6.2432 -2.3612 -2.3354 -2.1962 -2.1828 -2.1453 -2.0522 -1.9537 -1.8081 -1.7321 -1.7004 -1.5904 -1.5547 -1.5238 -1.5068 -1.4422 -1.4026 -1.1816 -1.1668 -1.0161 -0.9725 1.4768 1.4834 2.0380 2.0474 2.9249 2.9263 3.4778 3.5112 4.2132 4.2186 4.5891 4.5929 9.5681 9.5682 9.7989 9.8060 10.6094 10.6108 11.9734 11.9897 k = 0.4423 0.3886-0.0000 ( 2866 PWs) bands (ev): -6.3610 -6.3605 -6.2445 -6.2435 -2.3607 -2.3325 -2.1961 -2.1818 -2.1485 -2.0462 -1.9600 -1.8034 -1.7314 -1.6994 -1.5910 -1.5510 -1.5231 -1.5046 -1.4446 -1.4019 -1.1801 -1.1639 -1.0141 -0.9651 1.4892 1.4964 2.0385 2.0490 2.9221 2.9234 3.4424 3.4791 4.1981 4.2036 4.5417 4.5447 9.6318 9.6320 9.8854 9.8921 10.5931 10.5935 11.9743 11.9933 k = 0.4359 0.3997-0.0000 ( 2874 PWs) bands (ev): -6.3574 -6.3569 -6.2450 -6.2438 -2.3600 -2.3299 -2.1957 -2.1808 -2.1515 -2.0410 -1.9649 -1.8005 -1.7295 -1.6986 -1.5914 -1.5473 -1.5222 -1.5024 -1.4467 -1.4015 -1.1782 -1.1605 -1.0119 -0.9576 1.5030 1.5110 2.0387 2.0501 2.9151 2.9164 3.4100 3.4498 4.1812 4.1865 4.4924 4.4942 9.6990 9.6991 9.9772 9.9829 10.5741 10.5749 11.9773 11.9990 k = 0.4295 0.4108-0.0000 ( 2874 PWs) bands (ev): -6.3535 -6.3529 -6.2456 -6.2443 -2.3591 -2.3274 -2.1950 -2.1798 -2.1541 -2.0373 -1.9679 -1.7993 -1.7265 -1.6980 -1.5915 -1.5434 -1.5211 -1.5004 -1.4485 -1.4015 -1.1758 -1.1568 -1.0096 -0.9499 1.5184 1.5269 2.0384 2.0507 2.9025 2.9040 3.3831 3.4252 4.1624 4.1672 4.4420 4.4421 9.7685 9.7686 10.0725 10.0768 10.5529 10.5553 11.9832 12.0078 k = 0.4231 0.4219-0.0000 ( 2880 PWs) bands (ev): -6.3493 -6.3487 -6.2463 -6.2449 -2.3581 -2.3252 -2.1938 -2.1788 -2.1564 -2.0353 -1.9686 -1.7998 -1.7227 -1.6976 -1.5914 -1.5394 -1.5200 -1.4985 -1.4499 -1.4018 -1.1729 -1.1526 -1.0072 -0.9422 1.5352 1.5442 2.0373 2.0505 2.8829 2.8852 3.3634 3.4071 4.1417 4.1457 4.3894 4.3916 9.8392 9.8393 10.1694 10.1717 10.5304 10.5344 11.9930 12.0207 k = 0.4167 0.4330-0.0000 ( 2876 PWs) bands (ev): -6.3449 -6.3442 -6.2471 -6.2457 -2.3568 -2.3232 -2.1923 -2.1778 -2.1584 -2.0353 -1.9669 -1.8015 -1.7185 -1.6973 -1.5910 -1.5355 -1.5188 -1.4968 -1.4507 -1.4024 -1.1694 -1.1481 -1.0050 -0.9345 1.5533 1.5629 2.0354 2.0493 2.8562 2.8597 3.3521 3.3967 4.1192 4.1220 4.3367 4.3417 9.9098 9.9104 10.2654 10.2658 10.5070 10.5130 12.0081 12.0389 k = 0.4103 0.4441-0.0000 ( 2880 PWs) bands (ev): -6.3402 -6.3395 -6.2481 -6.2466 -2.3554 -2.3217 -2.1904 -2.1768 -2.1601 -2.0369 -1.9631 -1.8043 -1.7142 -1.6971 -1.5903 -1.5315 -1.5175 -1.4955 -1.4510 -1.4033 -1.1653 -1.1431 -1.0030 -0.9270 1.5729 1.5830 2.0324 2.0469 2.8229 2.8279 3.3493 3.3942 4.0950 4.0963 4.2847 4.2931 9.9793 9.9804 10.3556 10.3592 10.4837 10.4916 12.0299 12.0637 k = 0.4038 0.4552-0.0000 ( 2880 PWs) bands (ev): -6.3354 -6.3346 -6.2493 -6.2476 -2.3538 -2.3205 -2.1881 -2.1759 -2.1615 -2.0397 -1.9576 -1.8078 -1.7100 -1.6970 -1.5895 -1.5276 -1.5162 -1.4944 -1.4506 -1.4044 -1.1606 -1.1378 -1.0013 -0.9197 1.5937 1.6043 2.0281 2.0431 2.7843 2.7908 3.3544 3.3993 4.0687 4.0691 4.2341 4.2463 10.0462 10.0483 10.4371 10.4471 10.4641 10.4715 12.0601 12.0966 k = 0.3974 0.4663-0.0000 ( 2880 PWs) bands (ev): -6.3304 -6.3296 -6.2506 -6.2489 -2.3521 -2.3198 -2.1854 -2.1750 -2.1626 -2.0431 -1.9511 -1.8119 -1.7062 -1.6970 -1.5884 -1.5237 -1.5149 -1.4938 -1.4497 -1.4059 -1.1554 -1.1321 -1.0001 -0.9128 1.6158 1.6268 2.0223 2.0377 2.7422 2.7501 3.3663 3.4110 4.0398 4.0417 4.1855 4.2014 10.1086 10.1122 10.4384 10.4539 10.5188 10.5271 12.1001 12.1386 k = 0.3910 0.4774-0.0000 ( 2880 PWs) bands (ev): -6.3254 -6.3244 -6.2522 -6.2504 -2.3502 -2.3195 -2.1826 -2.1742 -2.1634 -2.0468 -1.9438 -1.8165 -1.7028 -1.6970 -1.5872 -1.5201 -1.5135 -1.4935 -1.4482 -1.4075 -1.1496 -1.1261 -0.9995 -0.9064 1.6389 1.6504 2.0149 2.0305 2.6985 2.7075 3.3838 3.4283 4.0101 4.0131 4.1391 4.1585 10.1637 10.1695 10.4233 10.4419 10.5847 10.5965 12.1511 12.1906 k = 0.3846 0.4885-0.0000 ( 2884 PWs) bands (ev): -6.3202 -6.3191 -6.2540 -6.2522 -2.3483 -2.3196 -2.1795 -2.1735 -2.1640 -2.0505 -1.9360 -1.8216 -1.7001 -1.6970 -1.5860 -1.5167 -1.5121 -1.4935 -1.4461 -1.4093 -1.1433 -1.1198 -0.9996 -0.9006 1.6630 1.6751 2.0057 2.0215 2.6548 2.6644 3.4060 3.4505 3.9805 3.9836 4.0953 4.1175 10.2075 10.2158 10.4170 10.4393 10.6392 10.6537 12.2135 12.2526 k = 0.3782 0.4996-0.0000 ( 2878 PWs) bands (ev): -6.3149 -6.3138 -6.2560 -6.2542 -2.3462 -2.3200 -2.1765 -2.1729 -2.1644 -2.0540 -1.9280 -1.8269 -1.6979 -1.6970 -1.5846 -1.5137 -1.5106 -1.4937 -1.4437 -1.4112 -1.1365 -1.1134 -1.0005 -0.8954 1.6878 1.7005 1.9946 2.0104 2.6126 2.6223 3.4320 3.4766 3.9515 3.9533 4.0547 4.0781 10.2355 10.2448 10.4261 10.4506 10.6813 10.6978 12.2864 12.3235 k = 0.3718 0.5107-0.0000 ( 2886 PWs) bands (ev): -6.3097 -6.3085 -6.2584 -6.2564 -2.3442 -2.3208 -2.1735 -2.1724 -2.1646 -2.0572 -1.9199 -1.8326 -1.6969 -1.6962 -1.5834 -1.5115 -1.5086 -1.4942 -1.4410 -1.4133 -1.1294 -1.1069 -1.0023 -0.8910 1.7132 1.7266 1.9816 1.9972 2.5731 2.5825 3.4613 3.5061 3.9220 3.9238 4.0176 4.0404 10.2470 10.2549 10.4523 10.4764 10.7110 10.7286 12.3677 12.4010 k = 0.3654 0.5218-0.0000 ( 2882 PWs) bands (ev): -6.3044 -6.3031 -6.2610 -6.2590 -2.3420 -2.3220 -2.1720 -2.1707 -2.1646 -2.0599 -1.9117 -1.8386 -1.6968 -1.6950 -1.5822 -1.5101 -1.5063 -1.4947 -1.4381 -1.4153 -1.1220 -1.1006 -1.0049 -0.8874 1.7388 1.7530 1.9667 1.9819 2.5375 2.5461 3.4932 3.5384 3.8894 3.8970 3.9851 4.0050 10.2474 10.2528 10.4890 10.5117 10.7287 10.7467 12.4538 12.4813 k = 0.3590 0.5329-0.0000 ( 2882 PWs) bands (ev): -6.2992 -6.2979 -6.2640 -6.2619 -2.3398 -2.3233 -2.1717 -2.1683 -2.1645 -2.0621 -1.9035 -1.8448 -1.6966 -1.6943 -1.5812 -1.5091 -1.5040 -1.4954 -1.4353 -1.4174 -1.1144 -1.0947 -1.0083 -0.8847 1.7644 1.7796 1.9501 1.9647 2.5067 2.5143 3.5275 3.5733 3.8548 3.8705 3.9582 3.9729 10.2424 10.2458 10.5291 10.5507 10.7356 10.7533 12.5394 12.5596 k = 0.3526 0.5440-0.0000 ( 2874 PWs) bands (ev): -6.2941 -6.2927 -6.2673 -6.2652 -2.3375 -2.3250 -2.1715 -2.1663 -2.1643 -2.0638 -1.8955 -1.8513 -1.6963 -1.6940 -1.5803 -1.5083 -1.5019 -1.4960 -1.4325 -1.4195 -1.1070 -1.0897 -1.0122 -0.8827 1.7894 1.8059 1.9319 1.9458 2.4819 2.4879 3.5635 3.6102 3.8180 3.8424 3.9375 3.9462 10.2360 10.2379 10.5684 10.5896 10.7331 10.7498 12.6178 12.6297 k = 0.3462 0.5551-0.0000 ( 2874 PWs) bands (ev): -6.2891 -6.2877 -6.2709 -6.2687 -2.3353 -2.3268 -2.1713 -2.1649 -2.1641 -2.0649 -1.8876 -1.8581 -1.6960 -1.6940 -1.5797 -1.5077 -1.5002 -1.4967 -1.4299 -1.4216 -1.0999 -1.0862 -1.0161 -0.8816 1.8132 1.8317 1.9129 1.9252 2.4637 2.4679 3.6008 3.6487 3.7795 3.8111 3.9231 3.9269 10.2302 10.2311 10.6047 10.6265 10.7228 10.7376 12.6810 12.6855 k = 0.3397 0.5662-0.0000 ( 2872 PWs) bands (ev): -6.2842 -6.2829 -6.2750 -6.2725 -2.3331 -2.3288 -2.1712 -2.1640 -2.1639 -2.0655 -1.8798 -1.8651 -1.6955 -1.6943 -1.5793 -1.5074 -1.4989 -1.4974 -1.4275 -1.4236 -1.0934 -1.0853 -1.0190 -0.8810 1.8342 1.8564 1.8945 1.9035 2.4529 2.4551 3.6373 3.6879 3.7414 3.7766 3.9148 3.9157 10.2263 10.2266 10.6354 10.6602 10.7075 10.7181 12.7214 12.7215 k = 0.3333 0.5774-0.0000 ( 2874 PWs) bands (ev): -6.2799 -6.2799 -6.2790 -6.2752 -2.3309 -2.3309 -2.1711 -2.1638 -2.1638 -2.0657 -1.8723 -1.8723 -1.6948 -1.6948 -1.5791 -1.5073 -1.4981 -1.4981 -1.4255 -1.4255 -1.0880 -1.0880 -1.0201 -0.8809 1.8451 1.8769 1.8842 1.8842 2.4500 2.4500 3.6597 3.7171 3.7171 3.7501 3.9121 3.9121 10.2250 10.2250 10.6510 10.6853 10.6972 10.6972 12.7344 12.7344 k = 0.3333 0.5774-0.0000 ( 2874 PWs) bands (ev): -6.2799 -6.2799 -6.2790 -6.2752 -2.3309 -2.3309 -2.1711 -2.1638 -2.1638 -2.0657 -1.8723 -1.8723 -1.6948 -1.6948 -1.5791 -1.5073 -1.4981 -1.4981 -1.4255 -1.4255 -1.0880 -1.0880 -1.0201 -0.8809 1.8451 1.8769 1.8842 1.8842 2.4500 2.4500 3.6597 3.7171 3.7171 3.7501 3.9121 3.9121 10.2250 10.2250 10.6510 10.6853 10.6972 10.6972 12.7344 12.7344 k = 0.3268 0.5660-0.0000 ( 2872 PWs) bands (ev): -6.2844 -6.2831 -6.2748 -6.2723 -2.3332 -2.3287 -2.1712 -2.1642 -2.1638 -2.0656 -1.8800 -1.8649 -1.6956 -1.6941 -1.5793 -1.5074 -1.4987 -1.4976 -1.4273 -1.4238 -1.0950 -1.0840 -1.0190 -0.8809 1.8340 1.8566 1.8944 1.9040 2.4531 2.4553 3.6346 3.6880 3.7404 3.7805 3.9149 3.9154 10.2266 10.2267 10.6347 10.6585 10.7094 10.7187 12.7186 12.7240 k = 0.3203 0.5547-0.0000 ( 2874 PWs) bands (ev): -6.2899 -6.2883 -6.2705 -6.2681 -2.3355 -2.3266 -2.1714 -2.1652 -2.1637 -2.0652 -1.8879 -1.8579 -1.6966 -1.6933 -1.5797 -1.5078 -1.4994 -1.4976 -1.4290 -1.4226 -1.1060 -1.0819 -1.0159 -0.8808 1.8135 1.8330 1.9130 1.9260 2.4647 2.4690 3.5917 3.6445 3.7816 3.8240 3.9230 3.9251 10.2318 10.2319 10.6023 10.6218 10.7284 10.7409 12.6766 12.6908 k = 0.3137 0.5434-0.0000 ( 2874 PWs) bands (ev): -6.2958 -6.2941 -6.2664 -6.2640 -2.3379 -2.3245 -2.1719 -2.1666 -2.1636 -2.0648 -1.8961 -1.8511 -1.6976 -1.6924 -1.5805 -1.5085 -1.5001 -1.4980 -1.4305 -1.4218 -1.1202 -1.0822 -1.0117 -0.8802 1.7914 1.8097 1.9334 1.9476 2.4844 2.4906 3.5455 3.5987 3.8265 3.8689 3.9359 3.9407 10.2406 10.2407 10.5636 10.5808 10.7451 10.7590 12.6134 12.6372 k = 0.3072 0.5321-0.0000 ( 2874 PWs) bands (ev): -6.3021 -6.3005 -6.2626 -6.2602 -2.3404 -2.3226 -2.1727 -2.1685 -2.1634 -2.0645 -1.9046 -1.8447 -1.6988 -1.6914 -1.5815 -1.5096 -1.5008 -1.4989 -1.4318 -1.4214 -1.1370 -1.0851 -1.0070 -0.8789 1.7694 1.7872 1.9549 1.9694 2.5117 2.5196 3.4981 3.5517 3.8729 3.9131 3.9536 3.9631 10.2531 10.2533 10.5206 10.5361 10.7582 10.7727 12.5351 12.5670 k = 0.3007 0.5207-0.0000 ( 2878 PWs) bands (ev): -6.3090 -6.3074 -6.2591 -6.2566 -2.3429 -2.3207 -2.1739 -2.1707 -2.1631 -2.0645 -1.9134 -1.8386 -1.7001 -1.6904 -1.5829 -1.5109 -1.5016 -1.5001 -1.4330 -1.4215 -1.1558 -1.0909 -1.0023 -0.8768 1.7484 1.7660 1.9777 1.9921 2.5459 2.5552 3.4501 3.5040 3.9200 3.9540 3.9758 3.9939 10.2693 10.2697 10.4742 10.4882 10.7671 10.7820 12.4469 12.4851 k = 0.2941 0.5094-0.0000 ( 2882 PWs) bands (ev): -6.3164 -6.3148 -6.2560 -6.2534 -2.3454 -2.3191 -2.1755 -2.1732 -2.1626 -2.0648 -1.9225 -1.8330 -1.7015 -1.6895 -1.5846 -1.5127 -1.5024 -1.5018 -1.4340 -1.4221 -1.1763 -1.0995 -0.9979 -0.8739 1.7287 1.7465 2.0026 2.0165 2.5861 2.5966 3.4020 3.4560 3.9671 3.9902 4.0029 4.0342 10.2891 10.2897 10.4247 10.4376 10.7720 10.7871 12.3529 12.3959 k = 0.2876 0.4981-0.0000 ( 2880 PWs) bands (ev): -6.3243 -6.3227 -6.2532 -6.2506 -2.3479 -2.3175 -2.1775 -2.1760 -2.1620 -2.0656 -1.9319 -1.8278 -1.7030 -1.6885 -1.5867 -1.5148 -1.5039 -1.5032 -1.4348 -1.4231 -1.1980 -1.1106 -0.9941 -0.8705 1.7109 1.7290 2.0301 2.0433 2.6315 2.6432 3.3541 3.4081 4.0119 4.0247 4.0365 4.0804 10.3121 10.3130 10.3729 10.3847 10.7728 10.7880 12.2560 12.3026 k = 0.2810 0.4868-0.0000 ( 2884 PWs) bands (ev): -6.3328 -6.3312 -6.2508 -6.2481 -2.3504 -2.3162 -2.1799 -2.1790 -2.1613 -2.0669 -1.9417 -1.8231 -1.7045 -1.6876 -1.5891 -1.5173 -1.5064 -1.5042 -1.4354 -1.4246 -1.2207 -1.1239 -0.9911 -0.8668 1.6952 1.7139 2.0606 2.0729 2.6816 2.6941 3.3068 3.3606 4.0519 4.0601 4.0788 4.1292 10.3159 10.3227 10.3423 10.3451 10.7700 10.7851 12.1583 12.2073 k = 0.2745 0.4755-0.0000 ( 2892 PWs) bands (ev): -6.3417 -6.3402 -6.2489 -6.2460 -2.3530 -2.3150 -2.1828 -2.1822 -2.1604 -2.0689 -1.9518 -1.8189 -1.7062 -1.6869 -1.5918 -1.5202 -1.5093 -1.5053 -1.4359 -1.4264 -1.2441 -1.1392 -0.9890 -0.8630 1.6819 1.7012 2.0946 2.1059 2.7355 2.7489 3.2605 3.3138 4.0897 4.0975 4.1266 4.1794 10.2600 10.2683 10.3711 10.3714 10.7639 10.7788 12.0612 12.1119 k = 0.2680 0.4641-0.0000 ( 2884 PWs) bands (ev): -6.3512 -6.3497 -6.2473 -6.2443 -2.3554 -2.3140 -2.1860 -2.1855 -2.1594 -2.0716 -1.9622 -1.8151 -1.7079 -1.6863 -1.5948 -1.5235 -1.5123 -1.5064 -1.4362 -1.4286 -1.2678 -1.1558 -0.9878 -0.8595 1.6711 1.6912 2.1322 2.1426 2.7929 2.8070 3.2156 3.2682 4.1285 4.1371 4.1764 4.2302 10.2007 10.2079 10.4035 10.4040 10.7550 10.7694 11.9660 12.0175 k = 0.2614 0.4528-0.0000 ( 2878 PWs) bands (ev): -6.3611 -6.3598 -6.2461 -6.2431 -2.3579 -2.3132 -2.1896 -2.1889 -2.1583 -2.0750 -1.9730 -1.8118 -1.7097 -1.6859 -1.5982 -1.5274 -1.5157 -1.5077 -1.4364 -1.4311 -1.2914 -1.1734 -0.9877 -0.8565 1.6627 1.6838 2.1737 2.1830 2.8533 2.8680 3.1725 3.2242 4.1691 4.1787 4.2270 4.2815 10.1391 10.1451 10.4377 10.4388 10.7443 10.7579 11.8734 11.9252 k = 0.2549 0.4415-0.0000 ( 2878 PWs) bands (ev): -6.3716 -6.3703 -6.2453 -6.2423 -2.3603 -2.3127 -2.1936 -2.1925 -2.1572 -2.0792 -1.9842 -1.8091 -1.7116 -1.6858 -1.6018 -1.5317 -1.5192 -1.5092 -1.4366 -1.4339 -1.3148 -1.1918 -0.9887 -0.8542 1.6569 1.6789 2.2190 2.2273 2.9163 2.9313 3.1318 3.1823 4.2115 4.2222 4.2779 4.3329 10.0753 10.0799 10.4718 10.4742 10.7335 10.7457 11.7843 11.8358 k = 0.2484 0.4302-0.0000 ( 2870 PWs) bands (ev): -6.3826 -6.3814 -6.2450 -6.2419 -2.3627 -2.3124 -2.1980 -2.1963 -2.1559 -2.0842 -1.9957 -1.8070 -1.7137 -1.6860 -1.6057 -1.5367 -1.5228 -1.5108 -1.4370 -1.4366 -1.3376 -1.2104 -0.9907 -0.8528 1.6533 1.6765 2.2682 2.2756 2.9815 2.9960 3.0947 3.1429 4.2558 4.2673 4.3289 4.3843 10.0092 10.0123 10.5028 10.5074 10.7257 10.7356 11.6993 11.7500 k = 0.2418 0.4189-0.0000 ( 2870 PWs) bands (ev): -6.3941 -6.3929 -6.2451 -6.2419 -2.3650 -2.3123 -2.2027 -2.2001 -2.1545 -2.0900 -2.0075 -1.8054 -1.7160 -1.6866 -1.6099 -1.5423 -1.5265 -1.5127 -1.4403 -1.4366 -1.3594 -1.2291 -0.9938 -0.8523 1.6516 1.6761 2.3214 2.3278 3.0456 3.0485 3.0777 3.1068 4.3015 4.3140 4.3799 4.4357 9.9408 9.9424 10.5250 10.5330 10.7265 10.7329 11.6188 11.6684 k = 0.2353 0.4075-0.0000 ( 2876 PWs) bands (ev): -6.4060 -6.4049 -6.2456 -6.2424 -2.3674 -2.3125 -2.2078 -2.2041 -2.1530 -2.0968 -2.0197 -1.8043 -1.7186 -1.6877 -1.6143 -1.5487 -1.5302 -1.5148 -1.4437 -1.4366 -1.3801 -1.2476 -0.9979 -0.8528 1.6516 1.6773 2.3783 2.3839 3.0237 3.0740 3.1177 3.1378 4.3486 4.3618 4.4307 4.4867 9.8702 9.8702 10.5321 10.5438 10.7424 10.7449 11.5435 11.5915 k = 0.2288 0.3962-0.0000 ( 2880 PWs) bands (ev): -6.4184 -6.4174 -6.2466 -6.2433 -2.3696 -2.3129 -2.2133 -2.2082 -2.1515 -2.1043 -2.0322 -1.8038 -1.7214 -1.6893 -1.6187 -1.5559 -1.5337 -1.5171 -1.4474 -1.4366 -1.3993 -1.2656 -1.0029 -0.8542 1.6526 1.6796 2.4390 2.4437 2.9980 3.0461 3.1878 3.2077 4.3969 4.4108 4.4812 4.5374 9.7956 9.7972 10.5225 10.5365 10.7746 10.7747 11.4735 11.5196 k = 0.2222 0.3849-0.0000 ( 2884 PWs) bands (ev): -6.4311 -6.4302 -6.2479 -6.2446 -2.3719 -2.3136 -2.2190 -2.2125 -2.1500 -2.1127 -2.0449 -1.8038 -1.7245 -1.6914 -1.6232 -1.5638 -1.5372 -1.5196 -1.4512 -1.4366 -1.4168 -1.2828 -1.0087 -0.8567 1.6542 1.6824 2.5033 2.5072 2.9768 3.0233 3.2591 3.2793 4.4460 4.4605 4.5313 4.5877 9.7188 9.7220 10.5002 10.5150 10.8181 10.8193 11.4094 11.4532 k = 0.2157 0.3736-0.0000 ( 2880 PWs) bands (ev): -6.4443 -6.4434 -6.2497 -6.2463 -2.3741 -2.3145 -2.2250 -2.2168 -2.1485 -2.1219 -2.0577 -1.8042 -1.7280 -1.6942 -1.6277 -1.5724 -1.5405 -1.5223 -1.4550 -1.4366 -1.4326 -1.2992 -1.0151 -0.8600 1.6556 1.6850 2.5710 2.5742 2.9613 3.0064 3.3312 3.3519 4.4959 4.5109 4.5808 4.6374 9.6397 9.6445 10.4694 10.4840 10.8703 10.8719 11.3514 11.3925 k = 0.2092 0.3623-0.0000 ( 2874 PWs) bands (ev): -6.4578 -6.4570 -6.2518 -6.2485 -2.3762 -2.3156 -2.2313 -2.2213 -2.1471 -2.1318 -2.0705 -1.8051 -1.7320 -1.6976 -1.6321 -1.5816 -1.5436 -1.5253 -1.4590 -1.4467 -1.4366 -1.3147 -1.0221 -0.8642 1.6562 1.6867 2.6422 2.6447 2.9524 2.9960 3.4041 3.4252 4.5464 4.5617 4.6298 4.6864 9.5584 9.5647 10.4326 10.4466 10.9279 10.9297 11.2998 11.3378 k = 0.2026 0.3509-0.0000 ( 2874 PWs) bands (ev): -6.4716 -6.4709 -6.2544 -6.2510 -2.3783 -2.3170 -2.2378 -2.2260 -2.1460 -2.1424 -2.0832 -1.8064 -1.7364 -1.7016 -1.6363 -1.5914 -1.5465 -1.5284 -1.4631 -1.4590 -1.4366 -1.3290 -1.0295 -0.8692 1.6554 1.6868 2.7165 2.7184 2.9505 2.9929 3.4773 3.4988 4.5971 4.6127 4.6781 4.7346 9.4750 9.4828 10.3911 10.4042 10.9887 10.9914 11.2553 11.2892 k = 0.1961 0.3396-0.0000 ( 2866 PWs) bands (ev): -6.4857 -6.4851 -6.2572 -6.2539 -2.3803 -2.3186 -2.2446 -2.2307 -2.1535 -2.1454 -2.0952 -1.8080 -1.7413 -1.7064 -1.6402 -1.6016 -1.5492 -1.5316 -1.4696 -1.4674 -1.4367 -1.3422 -1.0371 -0.8749 1.6526 1.6847 2.7939 2.7952 2.9563 2.9975 3.5506 3.5727 4.6480 4.6638 4.7257 4.7821 9.3897 9.3989 10.3454 10.3575 11.0504 11.0558 11.2192 11.2469 k = 0.1895 0.3283-0.0000 ( 2858 PWs) bands (ev): -6.5001 -6.4995 -6.2604 -6.2571 -2.3823 -2.3205 -2.2514 -2.2356 -2.1653 -2.1461 -2.1060 -1.8099 -1.7467 -1.7119 -1.6438 -1.6119 -1.5516 -1.5350 -1.4788 -1.4718 -1.4367 -1.3540 -1.0449 -0.8812 1.6474 1.6799 2.8743 2.8750 2.9701 3.0103 3.6239 3.6464 4.6988 4.7147 4.7724 4.8286 9.3025 9.3131 10.2960 10.3069 11.1054 11.1218 11.1986 11.2116 k = 0.1830 0.3170-0.0000 ( 2868 PWs) bands (ev): -6.5146 -6.5141 -6.2640 -6.2606 -2.3842 -2.3225 -2.2585 -2.2407 -2.1774 -2.1495 -2.1140 -1.8120 -1.7526 -1.7181 -1.6472 -1.6224 -1.5538 -1.5385 -1.4869 -1.4765 -1.4367 -1.3647 -1.0527 -0.8880 1.6395 1.6722 2.9573 2.9576 2.9920 3.0314 3.6969 3.7198 4.7494 4.7653 4.8181 4.8741 9.2137 9.2254 10.2431 10.2526 11.1251 11.1719 11.2002 11.2215 k = 0.1765 0.3057-0.0000 ( 2862 PWs) bands (ev): -6.5293 -6.5288 -6.2678 -6.2645 -2.3861 -2.3248 -2.2656 -2.2459 -2.1898 -2.1564 -2.1183 -1.8144 -1.7589 -1.7249 -1.6502 -1.6328 -1.5556 -1.5419 -1.4938 -1.4813 -1.4366 -1.3740 -1.0605 -0.8952 1.6288 1.6614 3.0217 3.0425 3.0434 3.0612 3.7693 3.7926 4.7995 4.8153 4.8629 4.9185 9.1234 9.1362 10.1867 10.1948 11.1154 11.1545 11.2640 11.2814 k = 0.1699 0.2943-0.0000 ( 2860 PWs) bands (ev): -6.5440 -6.5437 -6.2718 -6.2686 -2.3879 -2.3273 -2.2728 -2.2513 -2.2024 -2.1663 -2.1193 -1.8169 -1.7656 -1.7322 -1.6529 -1.6430 -1.5572 -1.5454 -1.5000 -1.4864 -1.4364 -1.3821 -1.0680 -0.9027 1.6154 1.6476 3.0597 3.0975 3.1314 3.1315 3.8409 3.8647 4.8490 4.8647 4.9067 4.9618 9.0318 9.0454 10.1270 10.1335 11.1040 11.1376 11.3344 11.3504 k = 0.1634 0.2830-0.0000 ( 2864 PWs) bands (ev): -6.5589 -6.5585 -6.2761 -6.2729 -2.3897 -2.3300 -2.2800 -2.2569 -2.2151 -2.1778 -2.1185 -1.8196 -1.7726 -1.7400 -1.6553 -1.6531 -1.5584 -1.5488 -1.5054 -1.4916 -1.4362 -1.3890 -1.0753 -0.9106 1.5994 1.6311 3.1050 3.1427 3.2215 3.2220 3.9116 3.9357 4.8978 4.9132 4.9494 5.0040 8.9390 8.9532 10.0639 10.0688 11.0968 11.1264 11.4058 11.4220 k = 0.1569 0.2717-0.0000 ( 2854 PWs) bands (ev): -6.5737 -6.5734 -6.2806 -6.2775 -2.3913 -2.3329 -2.2872 -2.2627 -2.2275 -2.1899 -2.1166 -1.8224 -1.7799 -1.7482 -1.6628 -1.6575 -1.5594 -1.5520 -1.5103 -1.4970 -1.4358 -1.3947 -1.0823 -0.9186 1.5813 1.6121 3.1574 3.1949 3.3139 3.3146 3.9810 4.0054 4.9455 4.9606 4.9910 5.0449 8.8451 8.8599 9.9977 10.0009 11.0949 11.1212 11.4775 11.4946 k = 0.1503 0.2604-0.0000 ( 2862 PWs) bands (ev): -6.5884 -6.5881 -6.2853 -6.2822 -2.3929 -2.3360 -2.2943 -2.2687 -2.2397 -2.2021 -2.1142 -1.8254 -1.7873 -1.7566 -1.6723 -1.6595 -1.5602 -1.5551 -1.5148 -1.5026 -1.4352 -1.3994 -1.0888 -0.9269 1.5612 1.5910 3.2162 3.2535 3.4083 3.4091 4.0491 4.0738 4.9921 5.0069 5.0315 5.0846 8.7502 8.7654 9.9283 9.9298 11.0985 11.1219 11.5489 11.5674 k = 0.1438 0.2491-0.0000 ( 2866 PWs) bands (ev): -6.6030 -6.6028 -6.2901 -6.2871 -2.3944 -2.3393 -2.3012 -2.2753 -2.2513 -2.2142 -2.1114 -1.8286 -1.7948 -1.7652 -1.6813 -1.6614 -1.5608 -1.5581 -1.5189 -1.5081 -1.4345 -1.4033 -1.0950 -0.9352 1.5397 1.5683 3.2808 3.3181 3.5046 3.5054 4.1155 4.1406 5.0373 5.0518 5.0708 5.1230 8.6546 8.6699 9.8556 9.8559 11.1079 11.1283 11.6197 11.6396 k = 0.1373 0.2377-0.0000 ( 2858 PWs) bands (ev): -6.6175 -6.6173 -6.2950 -6.2921 -2.3959 -2.3429 -2.3080 -2.2824 -2.2620 -2.2261 -2.1082 -1.8320 -1.8023 -1.7740 -1.6899 -1.6631 -1.5611 -1.5609 -1.5227 -1.5135 -1.4336 -1.4063 -1.1007 -0.9436 1.5171 1.5443 3.3507 3.3878 3.6025 3.6032 4.1804 4.2056 5.0809 5.0951 5.1091 5.1600 8.5582 8.5736 9.7785 9.7806 11.1228 11.1404 11.6893 11.7107 k = 0.1307 0.2264-0.0000 ( 2860 PWs) bands (ev): -6.6317 -6.6315 -6.3000 -6.2972 -2.3972 -2.3466 -2.3145 -2.2904 -2.2715 -2.2376 -2.1048 -1.8356 -1.8097 -1.7828 -1.6980 -1.6649 -1.5634 -1.5613 -1.5263 -1.5188 -1.4325 -1.4086 -1.1059 -0.9521 1.4937 1.5195 3.4252 3.4622 3.7016 3.7021 4.2434 4.2689 5.1227 5.1368 5.1465 5.1958 8.4612 8.4765 9.6988 9.7026 11.1432 11.1580 11.7572 11.7800 k = 0.1242 0.2151-0.0000 ( 2866 PWs) bands (ev): -6.6456 -6.6455 -6.3050 -6.3023 -2.3984 -2.3505 -2.3208 -2.2993 -2.2797 -2.2487 -2.1012 -1.8396 -1.8171 -1.7915 -1.7055 -1.6668 -1.5658 -1.5614 -1.5297 -1.5239 -1.4312 -1.4104 -1.1107 -0.9606 1.4698 1.4942 3.5037 3.5405 3.8019 3.8020 4.3046 4.3304 5.1621 5.1767 5.1831 5.2302 8.3636 8.3786 9.6166 9.6221 11.1689 11.1808 11.8226 11.8466 k = 0.1176 0.2038-0.0000 ( 2854 PWs) bands (ev): -6.6592 -6.6591 -6.3100 -6.3074 -2.3995 -2.3546 -2.3268 -2.3087 -2.2869 -2.2592 -2.0973 -1.8440 -1.8242 -1.8001 -1.7123 -1.6687 -1.5678 -1.5613 -1.5330 -1.5286 -1.4298 -1.4116 -1.1149 -0.9690 1.4459 1.4688 3.5855 3.6221 3.9024 3.9027 4.3640 4.3901 5.1991 5.2146 5.2191 5.2633 8.2655 8.2802 9.5322 9.5394 11.1997 11.2085 11.8849 11.9097 k = 0.1111 0.1925-0.0000 ( 2848 PWs) bands (ev): -6.6724 -6.6724 -6.3150 -6.3125 -2.4006 -2.3590 -2.3324 -2.3182 -2.2932 -2.2692 -2.0932 -1.8489 -1.8310 -1.8085 -1.7184 -1.6707 -1.5697 -1.5611 -1.5361 -1.5330 -1.4282 -1.4124 -1.1186 -0.9774 1.4222 1.4435 3.6701 3.7063 4.0027 4.0037 4.4219 4.4483 5.2334 5.2503 5.2544 5.2950 8.1671 8.1812 9.4460 9.4548 11.2352 11.2408 11.9430 11.9680 k = 0.1046 0.1811-0.0000 ( 2854 PWs) bands (ev): -6.6852 -6.6851 -6.3199 -6.3175 -2.4015 -2.3634 -2.3376 -2.3277 -2.2992 -2.2787 -2.0890 -1.8544 -1.8376 -1.8165 -1.7237 -1.6728 -1.5713 -1.5609 -1.5391 -1.5371 -1.4265 -1.4129 -1.1218 -0.9858 1.3988 1.4186 3.7568 3.7926 4.1022 4.1040 4.4785 4.5054 5.2653 5.2838 5.2887 5.3255 8.0682 8.0818 9.3583 9.3686 11.2752 11.2774 11.9960 12.0201 k = 0.0980 0.1698-0.0000 ( 2854 PWs) bands (ev): -6.6975 -6.6974 -6.3247 -6.3225 -2.4023 -2.3680 -2.3426 -2.3367 -2.3047 -2.2877 -2.0845 -1.8606 -1.8439 -1.8242 -1.7282 -1.6752 -1.5727 -1.5606 -1.5419 -1.5408 -1.4246 -1.4130 -1.1244 -0.9942 1.3761 1.3944 3.8451 3.8802 4.1999 4.2027 4.5347 4.5621 5.2950 5.3150 5.3216 5.3546 7.9692 7.9821 9.2697 9.2813 11.3177 11.3192 12.0423 12.0644 k = 0.0915 0.1585-0.0000 ( 2854 PWs) bands (ev): -6.7092 -6.7092 -6.3294 -6.3273 -2.4030 -2.3726 -2.3472 -2.3453 -2.3100 -2.2960 -2.0797 -1.8674 -1.8498 -1.8314 -1.7319 -1.6777 -1.5738 -1.5603 -1.5447 -1.5440 -1.4227 -1.4129 -1.1266 -1.0024 1.3542 1.3710 3.9341 3.9686 4.2942 4.2981 4.5918 4.6196 5.3228 5.3438 5.3529 5.3823 7.8699 7.8821 9.1806 9.1933 11.3612 11.3667 12.0807 12.0992 k = 0.0850 0.1472-0.0000 ( 2850 PWs) bands (ev): -6.7203 -6.7203 -6.3339 -6.3319 -2.4036 -2.3771 -2.3533 -2.3515 -2.3150 -2.3037 -2.0748 -1.8748 -1.8553 -1.8381 -1.7348 -1.6804 -1.5747 -1.5600 -1.5473 -1.5468 -1.4208 -1.4127 -1.1282 -1.0106 1.3332 1.3485 4.0234 4.0570 4.3830 4.3878 4.6517 4.6797 5.3487 5.3703 5.3823 5.4085 7.7707 7.7820 9.0916 9.1053 11.4072 11.4171 12.1098 12.1233 k = 0.0784 0.1358-0.0000 ( 2854 PWs) bands (ev): -6.7308 -6.7308 -6.3382 -6.3363 -2.4040 -2.3816 -2.3607 -2.3556 -2.3197 -2.3108 -2.0696 -1.8828 -1.8604 -1.8443 -1.7370 -1.6833 -1.5755 -1.5597 -1.5498 -1.5493 -1.4188 -1.4122 -1.1293 -1.0187 1.3134 1.3273 4.1121 4.1446 4.4636 4.4686 4.7174 4.7448 5.3728 5.3944 5.4097 5.4331 7.6717 7.6821 9.0033 9.0178 11.4549 11.4694 12.1289 12.1362 k = 0.0719 0.1245-0.0000 ( 2852 PWs) bands (ev): -6.7407 -6.7407 -6.3423 -6.3405 -2.4044 -2.3859 -2.3674 -2.3594 -2.3242 -2.3173 -2.0642 -1.8912 -1.8651 -1.8501 -1.7384 -1.6864 -1.5760 -1.5594 -1.5522 -1.5513 -1.4169 -1.4116 -1.1299 -1.0267 1.2948 1.3073 4.1995 4.2308 4.5337 4.5378 4.7910 4.8167 5.3951 5.4164 5.4350 5.4559 7.5731 7.5825 8.9166 8.9316 11.5034 11.5229 12.1385 12.1391 k = 0.0654 0.1132-0.0000 ( 2845 PWs) bands (ev): -6.7498 -6.7498 -6.3461 -6.3445 -2.4047 -2.3899 -2.3735 -2.3630 -2.3283 -2.3231 -2.0585 -1.8999 -1.8694 -1.8554 -1.7392 -1.6896 -1.5763 -1.5591 -1.5545 -1.5530 -1.4150 -1.4109 -1.1299 -1.0345 1.2775 1.2887 4.2847 4.3145 4.5922 4.5947 4.8729 4.8960 5.4157 5.4362 5.4581 5.4768 7.4753 7.4837 8.8322 8.8474 11.5515 11.5762 12.1343 12.1402 k = 0.0588 0.1019-0.0000 ( 2841 PWs) bands (ev): -6.7581 -6.7581 -6.3496 -6.3481 -2.4050 -2.3937 -2.3788 -2.3665 -2.3322 -2.3284 -2.0526 -1.9088 -1.8731 -1.8603 -1.7394 -1.6929 -1.5765 -1.5589 -1.5567 -1.5544 -1.4133 -1.4102 -1.1294 -1.0422 1.2617 1.2716 4.3668 4.3950 4.6402 4.6409 4.9608 4.9813 5.4344 5.4539 5.4790 5.4957 7.3787 7.3861 8.7510 8.7663 11.5981 11.6279 12.1251 12.1367 k = 0.0523 0.0906-0.0000 ( 2837 PWs) bands (ev): -6.7657 -6.7657 -6.3528 -6.3515 -2.4053 -2.3971 -2.3834 -2.3698 -2.3357 -2.3331 -2.0465 -1.9179 -1.8765 -1.8648 -1.7391 -1.6963 -1.5765 -1.5592 -1.5583 -1.5555 -1.4117 -1.4094 -1.1283 -1.0498 1.2474 1.2560 4.4448 4.4711 4.6785 4.6793 5.0519 5.0698 5.4513 5.4696 5.4977 5.5125 7.2839 7.2904 8.6742 8.6890 11.6417 11.6760 12.1148 12.1307 k = 0.0458 0.0792-0.0000 ( 2845 PWs) bands (ev): -6.7725 -6.7725 -6.3557 -6.3545 -2.4057 -2.4003 -2.3870 -2.3729 -2.3389 -2.3372 -2.0401 -1.9270 -1.8793 -1.8689 -1.7383 -1.6998 -1.5764 -1.5609 -1.5583 -1.5563 -1.4102 -1.4087 -1.1267 -1.0572 1.2346 1.2421 4.5177 4.5418 4.7096 4.7115 5.1431 5.1590 5.4663 5.4835 5.5141 5.5271 7.1919 7.1973 8.6027 8.6168 11.6808 11.7184 12.1066 12.1249 k = 0.0392 0.0679-0.0000 ( 2845 PWs) bands (ev): -6.7784 -6.7784 -6.3582 -6.3572 -2.4063 -2.4030 -2.3897 -2.3758 -2.3418 -2.3407 -2.0334 -1.9362 -1.8817 -1.8726 -1.7372 -1.7033 -1.5761 -1.5628 -1.5582 -1.5570 -1.4089 -1.4079 -1.1246 -1.0643 1.2235 1.2298 4.5841 4.6059 4.7354 4.7380 5.2320 5.2463 5.4796 5.4956 5.5284 5.5395 7.1037 7.1082 8.5377 8.5508 11.7143 11.7529 12.1031 12.1212 k = 0.0327 0.0566-0.0000 ( 2849 PWs) bands (ev): -6.7834 -6.7834 -6.3603 -6.3595 -2.4071 -2.4053 -2.3914 -2.3785 -2.3442 -2.3436 -2.0265 -1.9452 -1.8835 -1.8759 -1.7356 -1.7069 -1.5756 -1.5645 -1.5581 -1.5574 -1.4078 -1.4072 -1.1220 -1.0713 1.2141 1.2193 4.6429 4.6621 4.7569 4.7600 5.3157 5.3290 5.4911 5.5061 5.5405 5.5497 7.0211 7.0247 8.4804 8.4920 11.7413 11.7780 12.1056 12.1210 k = 0.0261 0.0453-0.0000 ( 2849 PWs) bands (ev): -6.7876 -6.7876 -6.3621 -6.3615 -2.4081 -2.4073 -2.3922 -2.3811 -2.3463 -2.3459 -2.0194 -1.9542 -1.8849 -1.8787 -1.7337 -1.7103 -1.5751 -1.5661 -1.5581 -1.5577 -1.4069 -1.4066 -1.1189 -1.0779 1.2065 1.2106 4.6926 4.7087 4.7750 4.7782 5.3911 5.4040 5.5011 5.5157 5.5505 5.5578 6.9462 6.9489 8.4318 8.4416 11.7617 11.7936 12.1134 12.1241 k = 0.0196 0.0340-0.0000 ( 2853 PWs) bands (ev): -6.7908 -6.7908 -6.3635 -6.3630 -2.4091 -2.4088 -2.3922 -2.3834 -2.3479 -2.3478 -2.0120 -1.9630 -1.8858 -1.8811 -1.7315 -1.7138 -1.5744 -1.5677 -1.5580 -1.5579 -1.4062 -1.4061 -1.1152 -1.0844 1.2006 1.2037 4.7317 4.7440 4.7908 4.7934 5.4531 5.4666 5.5108 5.5260 5.5587 5.5638 6.8820 6.8839 8.3931 8.4008 11.7765 11.8014 12.1239 12.1297 k = 0.0131 0.0226-0.0000 ( 2861 PWs) bands (ev): -6.7931 -6.7931 -6.3644 -6.3641 -2.4100 -2.4099 -2.3916 -2.3856 -2.3491 -2.3491 -2.0044 -1.9717 -1.8862 -1.8831 -1.7290 -1.7171 -1.5736 -1.5691 -1.5580 -1.5580 -1.4058 -1.4058 -1.1111 -1.0905 1.1965 1.1985 4.7588 4.7666 4.8050 4.8063 5.4927 5.5027 5.5301 5.5419 5.5654 5.5681 6.8320 6.8332 8.3651 8.3704 11.7868 11.8036 12.1339 12.1359 k = 0.0065 0.0113-0.0000 ( 2869 PWs) bands (ev): -6.7945 -6.7945 -6.3650 -6.3648 -2.4105 -2.4105 -2.3906 -2.3875 -2.3498 -2.3498 -1.9966 -1.9802 -1.8862 -1.8846 -1.7263 -1.7203 -1.5726 -1.5704 -1.5581 -1.5581 -1.4055 -1.4055 -1.1066 -1.0962 1.1943 1.1953 4.7741 4.7776 4.8156 4.8158 5.5080 5.5108 5.5551 5.5598 5.5721 5.5724 6.8000 6.8005 8.3486 8.3513 11.7940 11.8024 12.1406 12.1409 k = 0.0000 0.0000 0.0000 ( 2863 PWs) bands (ev): -6.7950 -6.7950 -6.3651 -6.3651 -2.4107 -2.4107 -2.3892 -2.3892 -2.3501 -2.3501 -1.9885 -1.9885 -1.8856 -1.8856 -1.7234 -1.7234 -1.5716 -1.5716 -1.5581 -1.5581 -1.4054 -1.4054 -1.1016 -1.1016 1.1939 1.1939 4.7799 4.7799 4.8195 4.8195 5.5120 5.5120 5.5635 5.5635 5.5770 5.5770 6.7891 6.7891 8.3440 8.3440 11.7991 11.7991 12.1429 12.1429 k = 0.0000 0.0000 0.0000 ( 2863 PWs) bands (ev): -6.7950 -6.7950 -6.3651 -6.3651 -2.4107 -2.4107 -2.3892 -2.3892 -2.3501 -2.3501 -1.9885 -1.9885 -1.8856 -1.8856 -1.7234 -1.7234 -1.5716 -1.5716 -1.5581 -1.5581 -1.4054 -1.4054 -1.1016 -1.1016 1.1939 1.1939 4.7799 4.7799 4.8195 4.8195 5.5120 5.5120 5.5635 5.5635 5.5770 5.5770 6.7891 6.7891 8.3440 8.3440 11.7991 11.7991 12.1429 12.1429 k = 0.0000 0.0000 0.0128 ( 2869 PWs) bands (ev): -6.7945 -6.7945 -6.3656 -6.3656 -2.4107 -2.4107 -2.3889 -2.3889 -2.3502 -2.3502 -1.9891 -1.9891 -1.8855 -1.8855 -1.7234 -1.7234 -1.5715 -1.5715 -1.5579 -1.5579 -1.4056 -1.4056 -1.1038 -1.1038 1.1989 1.1989 4.7806 4.7806 4.8203 4.8203 5.5027 5.5027 5.5598 5.5598 5.5761 5.5761 6.8006 6.8006 8.3446 8.3446 11.7991 11.7991 12.1432 12.1432 k = 0.0000 0.0000 0.0257 ( 2869 PWs) bands (ev): -6.7931 -6.7931 -6.3669 -6.3669 -2.4105 -2.4105 -2.3882 -2.3882 -2.3504 -2.3504 -1.9908 -1.9908 -1.8851 -1.8851 -1.7234 -1.7234 -1.5712 -1.5712 -1.5574 -1.5574 -1.4061 -1.4061 -1.1102 -1.1102 1.2139 1.2139 4.7829 4.7829 4.8226 4.8226 5.4723 5.4723 5.5526 5.5526 5.5735 5.5735 6.8339 6.8339 8.3465 8.3465 11.7993 11.7993 12.1441 12.1441 k = 0.0000 0.0000 0.0385 ( 2851 PWs) bands (ev): -6.7908 -6.7908 -6.3690 -6.3690 -2.4103 -2.4103 -2.3870 -2.3870 -2.3508 -2.3508 -1.9937 -1.9937 -1.8844 -1.8844 -1.7235 -1.7235 -1.5707 -1.5707 -1.5565 -1.5565 -1.4068 -1.4068 -1.1206 -1.1206 1.2386 1.2386 4.7867 4.7867 4.8264 4.8264 5.4206 5.4206 5.5453 5.5453 5.5692 5.5692 6.8858 6.8858 8.3497 8.3497 11.7994 11.7994 12.1457 12.1457 k = 0.0000 0.0000 0.0513 ( 2851 PWs) bands (ev): -6.7875 -6.7875 -6.3721 -6.3721 -2.4099 -2.4099 -2.3853 -2.3853 -2.3513 -2.3513 -1.9977 -1.9977 -1.8835 -1.8835 -1.7236 -1.7236 -1.5700 -1.5700 -1.5553 -1.5553 -1.4078 -1.4078 -1.1347 -1.1347 1.2727 1.2727 4.7920 4.7920 4.8317 4.8317 5.3517 5.3517 5.5376 5.5376 5.5633 5.5633 6.9521 6.9521 8.3540 8.3540 11.7995 11.7995 12.1480 12.1480 k = 0.0000 0.0000 0.0642 ( 2851 PWs) bands (ev): -6.7833 -6.7833 -6.3759 -6.3759 -2.4095 -2.4095 -2.3831 -2.3831 -2.3521 -2.3521 -2.0027 -2.0027 -1.8824 -1.8824 -1.7239 -1.7239 -1.5691 -1.5691 -1.5537 -1.5537 -1.4092 -1.4092 -1.1520 -1.1520 1.3156 1.3156 4.7988 4.7988 4.8385 4.8385 5.2701 5.2701 5.5288 5.5288 5.5556 5.5556 7.0292 7.0292 8.3595 8.3595 11.7991 11.7991 12.1510 12.1510 k = 0.0000 0.0000 0.0770 ( 2839 PWs) bands (ev): -6.7782 -6.7782 -6.3807 -6.3807 -2.4089 -2.4089 -2.3804 -2.3804 -2.3529 -2.3529 -2.0089 -2.0089 -1.8809 -1.8809 -1.7243 -1.7243 -1.5680 -1.5680 -1.5518 -1.5518 -1.4108 -1.4108 -1.1719 -1.1719 1.3669 1.3669 4.8070 4.8070 4.8468 4.8468 5.1790 5.1790 5.5188 5.5188 5.5464 5.5464 7.1139 7.1139 8.3661 8.3661 11.7981 11.7981 12.1549 12.1549 k = 0.0000 0.0000 0.0899 ( 2839 PWs) bands (ev): -6.7723 -6.7723 -6.3862 -6.3862 -2.4083 -2.4083 -2.3772 -2.3772 -2.3539 -2.3539 -2.0160 -2.0160 -1.8792 -1.8792 -1.7249 -1.7249 -1.5668 -1.5668 -1.5496 -1.5496 -1.4128 -1.4128 -1.1939 -1.1939 1.4257 1.4257 4.8167 4.8167 4.8565 4.8565 5.0810 5.0810 5.5073 5.5073 5.5356 5.5356 7.2036 7.2036 8.3737 8.3737 11.7958 11.7958 12.1597 12.1597 k = 0.0000 0.0000 0.1027 ( 2851 PWs) bands (ev): -6.7655 -6.7655 -6.3925 -6.3925 -2.4075 -2.4075 -2.3734 -2.3734 -2.3551 -2.3551 -2.0242 -2.0242 -1.8772 -1.8772 -1.7258 -1.7258 -1.5654 -1.5654 -1.5472 -1.5472 -1.4150 -1.4150 -1.2174 -1.2174 1.4917 1.4917 4.8278 4.8278 4.8676 4.8676 4.9776 4.9776 5.4943 5.4943 5.5233 5.5233 7.2965 7.2965 8.3822 8.3822 11.7915 11.7915 12.1655 12.1655 k = 0.0000 0.0000 0.1155 ( 2863 PWs) bands (ev): -6.7579 -6.7579 -6.3997 -6.3997 -2.4067 -2.4067 -2.3691 -2.3691 -2.3563 -2.3563 -2.0333 -2.0333 -1.8749 -1.8749 -1.7270 -1.7270 -1.5637 -1.5637 -1.5444 -1.5444 -1.4176 -1.4176 -1.2418 -1.2418 1.5641 1.5641 4.8402 4.8402 4.8703 4.8703 4.8800 4.8800 5.4799 5.4799 5.5095 5.5095 7.3910 7.3910 8.3915 8.3915 11.7841 11.7841 12.1519 12.1519 k = 0.0000 0.0000 0.1284 ( 2857 PWs) bands (ev): -6.7495 -6.7495 -6.4075 -6.4075 -2.4058 -2.4058 -2.3642 -2.3642 -2.3577 -2.3577 -2.0432 -2.0432 -1.8723 -1.8723 -1.7286 -1.7286 -1.5619 -1.5619 -1.5414 -1.5414 -1.4204 -1.4204 -1.2665 -1.2665 1.6423 1.6423 4.7600 4.7600 4.8539 4.8539 4.8938 4.8938 5.4641 5.4641 5.4943 5.4943 7.4860 7.4860 8.4014 8.4014 11.7727 11.7727 12.1185 12.1185 k = 0.0000 0.0000 0.1412 ( 2857 PWs) bands (ev): -6.7403 -6.7403 -6.4162 -6.4162 -2.4047 -2.4047 -2.3592 -2.3592 -2.3588 -2.3588 -2.0540 -2.0540 -1.8694 -1.8694 -1.7307 -1.7307 -1.5598 -1.5598 -1.5380 -1.5380 -1.4234 -1.4234 -1.2912 -1.2912 1.7258 1.7258 4.6472 4.6472 4.8690 4.8690 4.9088 4.9088 5.4470 5.4470 5.4778 5.4778 7.5803 7.5803 8.4117 8.4117 11.7565 11.7565 12.0921 12.0921 k = 0.0000 0.0000 0.1540 ( 2882 PWs) bands (ev): -6.7305 -6.7305 -6.4255 -6.4255 -2.4036 -2.4036 -2.3609 -2.3609 -2.3527 -2.3527 -2.0655 -2.0655 -1.8661 -1.8661 -1.7333 -1.7333 -1.5575 -1.5575 -1.5345 -1.5345 -1.4267 -1.4267 -1.3155 -1.3155 1.8141 1.8141 4.5325 4.5325 4.8852 4.8852 4.9250 4.9250 5.4287 5.4287 5.4601 5.4601 7.6731 7.6731 8.4221 8.4221 11.7355 11.7355 12.0741 12.0741 k = 0.0000 0.0000 0.1669 ( 2876 PWs) bands (ev): -6.7200 -6.7200 -6.4354 -6.4354 -2.4024 -2.4024 -2.3625 -2.3625 -2.3460 -2.3460 -2.0777 -2.0777 -1.8625 -1.8625 -1.7364 -1.7364 -1.5550 -1.5550 -1.5307 -1.5307 -1.4302 -1.4302 -1.3389 -1.3389 1.9067 1.9067 4.4164 4.4164 4.9026 4.9026 4.9424 4.9424 5.4093 5.4093 5.4413 5.4413 7.7635 7.7635 8.4325 8.4325 11.7110 11.7110 12.0646 12.0646 k = 0.0000 0.0000 0.1797 ( 2876 PWs) bands (ev): -6.7088 -6.7088 -6.4460 -6.4460 -2.4011 -2.4011 -2.3643 -2.3643 -2.3387 -2.3387 -2.0905 -2.0905 -1.8586 -1.8586 -1.7401 -1.7401 -1.5523 -1.5523 -1.5266 -1.5266 -1.4339 -1.4339 -1.3612 -1.3612 2.0032 2.0032 4.2990 4.2990 4.9210 4.9210 4.9608 4.9608 5.3888 5.3888 5.4214 5.4214 7.8508 7.8508 8.4425 8.4425 11.6850 11.6850 12.0626 12.0626 k = 0.0000 0.0000 0.1925 ( 2876 PWs) bands (ev): -6.6972 -6.6972 -6.4572 -6.4572 -2.3997 -2.3997 -2.3662 -2.3662 -2.3307 -2.3307 -2.1038 -2.1038 -1.8543 -1.8543 -1.7443 -1.7443 -1.5492 -1.5492 -1.5224 -1.5224 -1.4379 -1.4379 -1.3821 -1.3821 2.1031 2.1031 4.1808 4.1808 4.9406 4.9406 4.9802 4.9802 5.3673 5.3673 5.4006 5.4006 7.9341 7.9341 8.4518 8.4518 11.6599 11.6599 12.0671 12.0671 k = 0.0000 0.0000 0.2054 ( 2882 PWs) bands (ev): -6.6850 -6.6850 -6.4689 -6.4689 -2.3983 -2.3983 -2.3681 -2.3681 -2.3222 -2.3222 -2.1175 -2.1175 -1.8497 -1.8497 -1.7492 -1.7492 -1.5460 -1.5460 -1.5181 -1.5181 -1.4420 -1.4420 -1.4016 -1.4016 2.2061 2.2061 4.0619 4.0619 4.9610 4.9610 5.0006 5.0006 5.3450 5.3450 5.3789 5.3789 8.0129 8.0129 8.4599 8.4599 11.6380 11.6380 12.0767 12.0767 k = 0.0000 0.0000 0.2182 ( 2870 PWs) bands (ev): -6.6723 -6.6723 -6.4812 -6.4812 -2.3967 -2.3967 -2.3700 -2.3700 -2.3129 -2.3129 -2.1315 -2.1315 -1.8447 -1.8447 -1.7545 -1.7545 -1.5423 -1.5423 -1.5135 -1.5135 -1.4462 -1.4462 -1.4194 -1.4194 2.3119 2.3119 3.9424 3.9424 4.9824 4.9824 5.0218 5.0218 5.3220 5.3220 5.3564 5.3564 8.0864 8.0864 8.4665 8.4665 11.6210 11.6210 12.0906 12.0906 k = 0.0000 0.0000 0.2310 ( 2864 PWs) bands (ev): -6.6593 -6.6593 -6.4938 -6.4938 -2.3951 -2.3951 -2.3720 -2.3720 -2.3030 -2.3030 -2.1459 -2.1459 -1.8394 -1.8394 -1.7603 -1.7603 -1.5383 -1.5383 -1.5088 -1.5088 -1.4506 -1.4506 -1.4357 -1.4357 2.4201 2.4201 3.8227 3.8227 5.0045 5.0045 5.0438 5.0438 5.2983 5.2983 5.3333 5.3333 8.1541 8.1541 8.4709 8.4709 11.6106 11.6106 12.1082 12.1115 k = 0.0000 0.0000 0.2439 ( 2864 PWs) bands (ev): -6.6459 -6.6459 -6.5069 -6.5069 -2.3934 -2.3934 -2.3740 -2.3740 -2.2925 -2.2925 -2.1603 -2.1603 -1.8337 -1.8337 -1.7666 -1.7666 -1.5340 -1.5340 -1.5041 -1.5041 -1.4552 -1.4552 -1.4505 -1.4505 2.5305 2.5305 3.7027 3.7027 5.0274 5.0274 5.0665 5.0665 5.2741 5.2741 5.3096 5.3096 8.2154 8.2154 8.4726 8.4726 11.6078 11.6078 12.0473 12.0473 k = 0.0000 0.0000 0.2567 ( 2864 PWs) bands (ev): -6.6322 -6.6322 -6.5202 -6.5202 -2.3916 -2.3916 -2.3760 -2.3760 -2.2813 -2.2813 -2.1748 -2.1748 -1.8277 -1.8277 -1.7732 -1.7732 -1.5291 -1.5291 -1.4992 -1.4992 -1.4637 -1.4637 -1.4599 -1.4599 2.6427 2.6427 3.5828 3.5828 5.0508 5.0508 5.0898 5.0898 5.2495 5.2495 5.2855 5.2855 8.2700 8.2700 8.4711 8.4711 11.6134 11.6134 11.9711 11.9711 k = 0.0000 0.0000 0.2696 ( 2864 PWs) bands (ev): -6.6183 -6.6183 -6.5339 -6.5339 -2.3898 -2.3898 -2.3780 -2.3780 -2.2696 -2.2696 -2.1892 -2.1892 -1.8214 -1.8214 -1.7801 -1.7801 -1.5238 -1.5238 -1.4943 -1.4943 -1.4756 -1.4756 -1.4647 -1.4647 2.7567 2.7567 3.4630 3.4630 5.0749 5.0749 5.1136 5.1136 5.2246 5.2246 5.2611 5.2611 8.3178 8.3178 8.4656 8.4656 11.6280 11.6280 11.8999 11.8999 k = 0.0000 0.0000 0.2824 ( 2852 PWs) bands (ev): -6.6042 -6.6042 -6.5478 -6.5478 -2.3879 -2.3879 -2.3801 -2.3801 -2.2573 -2.2573 -2.2034 -2.2034 -1.8149 -1.8149 -1.7871 -1.7871 -1.5178 -1.5178 -1.4893 -1.4893 -1.4861 -1.4861 -1.4695 -1.4695 2.8720 2.8720 3.3435 3.3435 5.0993 5.0993 5.1377 5.1377 5.1995 5.1995 5.2365 5.2365 8.3585 8.3585 8.4556 8.4556 11.6517 11.6517 11.8348 11.8348 k = 0.0000 0.0000 0.2952 ( 2834 PWs) bands (ev): -6.5901 -6.5901 -6.5618 -6.5618 -2.3860 -2.3860 -2.3820 -2.3820 -2.2444 -2.2444 -2.2174 -2.2174 -1.8081 -1.8081 -1.7941 -1.7941 -1.5112 -1.5112 -1.4954 -1.4954 -1.4843 -1.4843 -1.4744 -1.4744 2.9886 2.9886 3.2245 3.2245 5.1241 5.1241 5.1622 5.1622 5.1743 5.1743 5.2117 5.2117 8.3923 8.3923 8.4405 8.4405 11.6847 11.6847 11.7768 11.7768 k = 0.0000 0.0000 0.3081 ( 2834 PWs) bands (ev): -6.5759 -6.5759 -6.5759 -6.5759 -2.3840 -2.3840 -2.3840 -2.3840 -2.2311 -2.2311 -2.2311 -2.2311 -1.8011 -1.8011 -1.8011 -1.8011 -1.5037 -1.5037 -1.5037 -1.5037 -1.4793 -1.4793 -1.4793 -1.4793 3.1061 3.1061 3.1061 3.1061 5.1491 5.1491 5.1491 5.1491 5.1869 5.1869 5.1869 5.1869 8.4195 8.4195 8.4195 8.4195 11.7265 11.7265 11.7265 11.7265 k = 0.0000 0.0000 0.3081 ( 2834 PWs) bands (ev): -6.5759 -6.5759 -6.5759 -6.5759 -2.3840 -2.3840 -2.3840 -2.3840 -2.2311 -2.2311 -2.2311 -2.2311 -1.8011 -1.8011 -1.8011 -1.8011 -1.5037 -1.5037 -1.5037 -1.5037 -1.4793 -1.4793 -1.4793 -1.4793 3.1061 3.1061 3.1061 3.1061 5.1491 5.1491 5.1491 5.1491 5.1869 5.1869 5.1869 5.1869 8.4195 8.4195 8.4195 8.4195 11.7265 11.7265 11.7265 11.7265 k = 0.0114 0.0066 0.3081 ( 2842 PWs) bands (ev): -6.5756 -6.5756 -6.5756 -6.5756 -2.3838 -2.3838 -2.3838 -2.3838 -2.2350 -2.2350 -2.2270 -2.2270 -1.8020 -1.8020 -1.7998 -1.7998 -1.5069 -1.5069 -1.5009 -1.5009 -1.4791 -1.4791 -1.4791 -1.4791 3.1054 3.1054 3.1061 3.1061 5.1440 5.1440 5.1478 5.1478 5.1838 5.1838 5.1840 5.1840 8.4235 8.4235 8.4264 8.4264 11.7196 11.7196 11.7210 11.7210 k = 0.0227 0.0131 0.3081 ( 2846 PWs) bands (ev): -6.5746 -6.5746 -6.5745 -6.5745 -2.3832 -2.3832 -2.3832 -2.3832 -2.2386 -2.2386 -2.2227 -2.2227 -1.8024 -1.8024 -1.7981 -1.7981 -1.5101 -1.5101 -1.4985 -1.4985 -1.4785 -1.4785 -1.4781 -1.4781 3.1039 3.1039 3.1052 3.1052 5.1310 5.1310 5.1399 5.1399 5.1749 5.1749 5.1766 5.1766 8.4381 8.4381 8.4438 8.4438 11.7007 11.7007 11.7034 11.7034 k = 0.0341 0.0197 0.3081 ( 2850 PWs) bands (ev): -6.5729 -6.5729 -6.5727 -6.5727 -2.3821 -2.3821 -2.3820 -2.3820 -2.2419 -2.2419 -2.2182 -2.2182 -1.8023 -1.8023 -1.7959 -1.7959 -1.5134 -1.5134 -1.4968 -1.4968 -1.4776 -1.4776 -1.4763 -1.4763 3.1016 3.1016 3.1036 3.1036 5.1089 5.1089 5.1235 5.1235 5.1625 5.1625 5.1665 5.1665 8.4629 8.4629 8.4713 8.4713 11.6714 11.6714 11.6751 11.6751 k = 0.0455 0.0262 0.3081 ( 2852 PWs) bands (ev): -6.5704 -6.5704 -6.5702 -6.5702 -2.3807 -2.3807 -2.3804 -2.3804 -2.2449 -2.2449 -2.2135 -2.2135 -1.8017 -1.8017 -1.7933 -1.7933 -1.5167 -1.5167 -1.4956 -1.4956 -1.4765 -1.4765 -1.4736 -1.4736 3.0984 3.0984 3.1010 3.1010 5.0773 5.0773 5.0971 5.0971 5.1488 5.1488 5.1548 5.1548 8.4974 8.4974 8.5081 8.5081 11.6334 11.6334 11.6379 11.6379 k = 0.0568 0.0328 0.3081 ( 2860 PWs) bands (ev): -6.5674 -6.5674 -6.5671 -6.5671 -2.3788 -2.3788 -2.3784 -2.3784 -2.2477 -2.2477 -2.2085 -2.2085 -1.8006 -1.8006 -1.7904 -1.7904 -1.5199 -1.5199 -1.4950 -1.4950 -1.4753 -1.4753 -1.4702 -1.4702 3.0941 3.0941 3.0974 3.0974 5.0374 5.0374 5.0614 5.0614 5.1341 5.1341 5.1414 5.1414 8.5406 8.5406 8.5534 8.5534 11.5886 11.5886 11.5938 11.5938 k = 0.0682 0.0394 0.3081 ( 2860 PWs) bands (ev): -6.5636 -6.5636 -6.5633 -6.5633 -2.3767 -2.3767 -2.3759 -2.3759 -2.2501 -2.2501 -2.2033 -2.2033 -1.7989 -1.7989 -1.7871 -1.7871 -1.5230 -1.5230 -1.4946 -1.4946 -1.4738 -1.4738 -1.4661 -1.4661 3.0886 3.0886 3.0925 3.0925 4.9905 4.9905 5.0180 5.0180 5.1178 5.1178 5.1260 5.1260 8.5914 8.5914 8.6060 8.6060 11.5388 11.5388 11.5444 11.5444 k = 0.0795 0.0459 0.3081 ( 2860 PWs) bands (ev): -6.5592 -6.5592 -6.5588 -6.5588 -2.3742 -2.3742 -2.3729 -2.3729 -2.2522 -2.2522 -2.1980 -2.1980 -1.7966 -1.7966 -1.7836 -1.7836 -1.5260 -1.5260 -1.4945 -1.4945 -1.4721 -1.4721 -1.4616 -1.4616 3.0816 3.0816 3.0861 3.0861 4.9379 4.9379 4.9686 4.9686 5.0996 5.0996 5.1085 5.1085 8.6488 8.6488 8.6648 8.6648 11.4855 11.4855 11.4914 11.4914 k = 0.0909 0.0525 0.3081 ( 2858 PWs) bands (ev): -6.5542 -6.5542 -6.5538 -6.5538 -2.3713 -2.3713 -2.3695 -2.3695 -2.2540 -2.2540 -2.1924 -2.1924 -1.7938 -1.7938 -1.7797 -1.7797 -1.5288 -1.5288 -1.4944 -1.4944 -1.4703 -1.4703 -1.4567 -1.4567 3.0729 3.0729 3.0779 3.0779 4.8810 4.8810 4.9144 4.9144 5.0793 5.0793 5.0889 5.0889 8.7113 8.7113 8.7284 8.7284 11.4302 11.4302 11.4362 11.4362 k = 0.1023 0.0590 0.3081 ( 2866 PWs) bands (ev): -6.5486 -6.5486 -6.5481 -6.5481 -2.3683 -2.3683 -2.3657 -2.3657 -2.2553 -2.2553 -2.1866 -2.1866 -1.7905 -1.7905 -1.7756 -1.7756 -1.5314 -1.5314 -1.4943 -1.4943 -1.4682 -1.4682 -1.4515 -1.4515 3.0622 3.0622 3.0677 3.0677 4.8210 4.8210 4.8568 4.8568 5.0570 5.0570 5.0673 5.0673 8.7777 8.7777 8.7956 8.7956 11.3740 11.3740 11.3799 11.3799 k = 0.1136 0.0656 0.3081 ( 2866 PWs) bands (ev): -6.5424 -6.5424 -6.5419 -6.5419 -2.3650 -2.3650 -2.3616 -2.3616 -2.2562 -2.2562 -2.1806 -2.1806 -1.7866 -1.7866 -1.7713 -1.7713 -1.5339 -1.5339 -1.4942 -1.4942 -1.4660 -1.4660 -1.4460 -1.4460 3.0491 3.0491 3.0550 3.0550 4.7591 4.7591 4.7971 4.7971 5.0328 5.0328 5.0437 5.0437 8.8467 8.8467 8.8650 8.8650 11.3181 11.3181 11.3239 11.3239 k = 0.1250 0.0722 0.3081 ( 2868 PWs) bands (ev): -6.5357 -6.5357 -6.5351 -6.5351 -2.3615 -2.3615 -2.3571 -2.3571 -2.2567 -2.2567 -2.1744 -2.1744 -1.7821 -1.7821 -1.7668 -1.7668 -1.5361 -1.5361 -1.4940 -1.4940 -1.4635 -1.4635 -1.4402 -1.4402 3.0332 3.0332 3.0395 3.0395 4.6965 4.6965 4.7363 4.7363 5.0069 5.0069 5.0183 5.0183 8.9169 8.9169 8.9352 8.9352 11.2635 11.2635 11.2690 11.2690 k = 0.1364 0.0787 0.3081 ( 2874 PWs) bands (ev): -6.5285 -6.5285 -6.5279 -6.5279 -2.3578 -2.3578 -2.3524 -2.3524 -2.2566 -2.2566 -2.1680 -2.1680 -1.7771 -1.7771 -1.7622 -1.7622 -1.5382 -1.5382 -1.4936 -1.4936 -1.4608 -1.4608 -1.4341 -1.4341 3.0141 3.0141 3.0206 3.0206 4.6344 4.6344 4.6756 4.6757 4.9793 4.9793 4.9913 4.9913 8.9869 8.9869 9.0050 9.0050 11.2113 11.2113 11.2165 11.2165 k = 0.1477 0.0853 0.3081 ( 2874 PWs) bands (ev): -6.5208 -6.5208 -6.5201 -6.5201 -2.3540 -2.3540 -2.3476 -2.3476 -2.2559 -2.2559 -2.1614 -2.1614 -1.7716 -1.7716 -1.7575 -1.7575 -1.5399 -1.5399 -1.4930 -1.4930 -1.4578 -1.4578 -1.4277 -1.4277 2.9914 2.9914 2.9980 2.9980 4.5738 4.5738 4.6162 4.6162 4.9503 4.9503 4.9628 4.9628 9.0552 9.0552 9.0727 9.0727 11.1624 11.1624 11.1671 11.1671 k = 0.1591 0.0919 0.3081 ( 2876 PWs) bands (ev): -6.5127 -6.5127 -6.5120 -6.5120 -2.3501 -2.3501 -2.3426 -2.3426 -2.2544 -2.2544 -2.1546 -2.1546 -1.7656 -1.7656 -1.7527 -1.7527 -1.5415 -1.5415 -1.4923 -1.4923 -1.4544 -1.4544 -1.4210 -1.4210 2.9647 2.9647 2.9712 2.9712 4.5157 4.5157 4.5588 4.5588 4.9200 4.9200 4.9329 4.9329 9.1204 9.1204 9.1372 9.1372 11.1178 11.1178 11.1220 11.1220 k = 0.1705 0.0984 0.3081 ( 2872 PWs) bands (ev): -6.5042 -6.5042 -6.5034 -6.5034 -2.3462 -2.3462 -2.3378 -2.3378 -2.2522 -2.2522 -2.1476 -2.1476 -1.7592 -1.7592 -1.7479 -1.7479 -1.5427 -1.5427 -1.4914 -1.4914 -1.4507 -1.4507 -1.4139 -1.4139 2.9336 2.9336 2.9398 2.9398 4.4610 4.4610 4.5045 4.5045 4.8886 4.8886 4.9019 4.9019 9.1812 9.1812 9.1969 9.1969 11.0783 11.0783 11.0818 11.0818 k = 0.1818 0.1050 0.3081 ( 2868 PWs) bands (ev): -6.4954 -6.4954 -6.4946 -6.4946 -2.3423 -2.3423 -2.3331 -2.3331 -2.2490 -2.2490 -2.1404 -2.1404 -1.7524 -1.7524 -1.7431 -1.7431 -1.5436 -1.5436 -1.4902 -1.4902 -1.4466 -1.4466 -1.4065 -1.4065 2.8977 2.8977 2.9034 2.9034 4.4104 4.4104 4.4539 4.4539 4.8562 4.8562 4.8699 4.8699 9.2361 9.2361 9.2505 9.2505 11.0446 11.0446 11.0475 11.0475 k = 0.1932 0.1115 0.3081 ( 2878 PWs) bands (ev): -6.4862 -6.4862 -6.4854 -6.4854 -2.3384 -2.3384 -2.3287 -2.3287 -2.2449 -2.2449 -2.1330 -2.1330 -1.7453 -1.7453 -1.7384 -1.7384 -1.5441 -1.5441 -1.4889 -1.4889 -1.4420 -1.4420 -1.3987 -1.3987 2.8570 2.8570 2.8620 2.8620 4.3645 4.3645 4.4077 4.4077 4.8231 4.8231 4.8371 4.8371 9.2839 9.2839 9.2970 9.2970 11.0173 11.0173 11.0195 11.0195 k = 0.2045 0.1181 0.3081 ( 2874 PWs) bands (ev): -6.4769 -6.4769 -6.4760 -6.4760 -2.3346 -2.3346 -2.3247 -2.3247 -2.2397 -2.2397 -2.1254 -2.1254 -1.7379 -1.7379 -1.7338 -1.7338 -1.5443 -1.5443 -1.4873 -1.4873 -1.4369 -1.4369 -1.3904 -1.3904 2.8112 2.8112 2.8154 2.8154 4.3237 4.3237 4.3663 4.3663 4.7895 4.7895 4.8038 4.8038 9.3238 9.3238 9.3353 9.3353 10.9965 10.9965 10.9983 10.9983 k = 0.2159 0.1247 0.3081 ( 2870 PWs) bands (ev): -6.4673 -6.4673 -6.4664 -6.4664 -2.3308 -2.3308 -2.3211 -2.3211 -2.2334 -2.2334 -2.1177 -2.1177 -1.7304 -1.7304 -1.7293 -1.7293 -1.5440 -1.5440 -1.4855 -1.4855 -1.4313 -1.4313 -1.3817 -1.3817 2.7606 2.7606 2.7637 2.7637 4.2882 4.2882 4.3299 4.3299 4.7555 4.7555 4.7699 4.7699 9.3550 9.3550 9.3650 9.3650 10.9823 10.9823 10.9836 10.9836 k = 0.2273 0.1312 0.3081 ( 2874 PWs) bands (ev): -6.4576 -6.4576 -6.4566 -6.4566 -2.3272 -2.3272 -2.3180 -2.3180 -2.2260 -2.2260 -2.1098 -2.1098 -1.7250 -1.7250 -1.7229 -1.7229 -1.5433 -1.5433 -1.4834 -1.4834 -1.4249 -1.4249 -1.3724 -1.3724 2.7054 2.7054 2.7073 2.7073 4.2581 4.2581 4.2985 4.2985 4.7212 4.7212 4.7358 4.7358 9.3773 9.3773 9.3859 9.3859 10.9741 10.9741 10.9751 10.9751 k = 0.2386 0.1378 0.3081 ( 2868 PWs) bands (ev): -6.4477 -6.4477 -6.4468 -6.4468 -2.3238 -2.3238 -2.3154 -2.3154 -2.2177 -2.2177 -2.1019 -2.1019 -1.7208 -1.7208 -1.7154 -1.7154 -1.5420 -1.5420 -1.4812 -1.4812 -1.4178 -1.4178 -1.3626 -1.3626 2.6459 2.6459 2.6466 2.6466 4.2330 4.2330 4.2721 4.2721 4.6870 4.6870 4.7017 4.7017 9.3909 9.3909 9.3982 9.3982 10.9711 10.9711 10.9720 10.9720 k = 0.2500 0.1443 0.3081 ( 2876 PWs) bands (ev): -6.4379 -6.4379 -6.4369 -6.4369 -2.3205 -2.3205 -2.3131 -2.3131 -2.2085 -2.2085 -2.0938 -2.0938 -1.7169 -1.7169 -1.7082 -1.7082 -1.5403 -1.5403 -1.4789 -1.4789 -1.4099 -1.4099 -1.3523 -1.3523 2.5820 2.5820 2.5825 2.5825 4.2128 4.2128 4.2504 4.2504 4.6529 4.6529 4.6676 4.6676 9.3962 9.3962 9.4024 9.4024 10.9723 10.9723 10.9732 10.9732 k = 0.2614 0.1509 0.3081 ( 2880 PWs) bands (ev): -6.4280 -6.4280 -6.4270 -6.4270 -2.3175 -2.3175 -2.3112 -2.3112 -2.1985 -2.1985 -2.0858 -2.0858 -1.7132 -1.7132 -1.7013 -1.7013 -1.5380 -1.5380 -1.4764 -1.4764 -1.4011 -1.4011 -1.3413 -1.3413 2.5142 2.5142 2.5160 2.5160 4.1971 4.1971 4.2330 4.2330 4.6191 4.6191 4.6337 4.6337 9.3943 9.3943 9.3995 9.3995 10.9763 10.9763 10.9773 10.9773 k = 0.2727 0.1575 0.3081 ( 2884 PWs) bands (ev): -6.4181 -6.4181 -6.4172 -6.4172 -2.3146 -2.3146 -2.3096 -2.3096 -2.1879 -2.1879 -2.0778 -2.0778 -1.7097 -1.7097 -1.6948 -1.6948 -1.5352 -1.5352 -1.4738 -1.4738 -1.3913 -1.3913 -1.3298 -1.3298 2.4440 2.4440 2.4468 2.4468 4.1854 4.1854 4.2196 4.2196 4.5857 4.5857 4.6003 4.6003 9.3861 9.3861 9.3905 9.3905 10.9818 10.9818 10.9832 10.9832 k = 0.2841 0.1640 0.3081 ( 2888 PWs) bands (ev): -6.4084 -6.4084 -6.4074 -6.4074 -2.3120 -2.3120 -2.3082 -2.3082 -2.1767 -2.1767 -2.0698 -2.0698 -1.7065 -1.7064 -1.6888 -1.6888 -1.5318 -1.5318 -1.4711 -1.4711 -1.3804 -1.3804 -1.3176 -1.3176 2.3718 2.3718 2.3757 2.3757 4.1772 4.1772 4.2097 4.2097 4.5530 4.5530 4.5674 4.5674 9.3728 9.3728 9.3765 9.3765 10.9878 10.9878 10.9895 10.9895 k = 0.2955 0.1706 0.3081 ( 2884 PWs) bands (ev): -6.3988 -6.3988 -6.3978 -6.3978 -2.3096 -2.3096 -2.3069 -2.3069 -2.1652 -2.1652 -2.0620 -2.0620 -1.7034 -1.7034 -1.6835 -1.6835 -1.5280 -1.5280 -1.4685 -1.4685 -1.3683 -1.3683 -1.3048 -1.3048 2.2985 2.2985 2.3033 2.3033 4.1720 4.1720 4.2028 4.2028 4.5210 4.5210 4.5353 4.5353 9.3553 9.3553 9.3585 9.3585 10.9933 10.9933 10.9953 10.9953 k = 0.3068 0.1771 0.3081 ( 2888 PWs) bands (ev): -6.3895 -6.3895 -6.3885 -6.3885 -2.3074 -2.3074 -2.3058 -2.3058 -2.1534 -2.1534 -2.0544 -2.0544 -1.7006 -1.7006 -1.6788 -1.6788 -1.5238 -1.5238 -1.4658 -1.4658 -1.3552 -1.3552 -1.2914 -1.2914 2.2247 2.2247 2.2303 2.2303 4.1695 4.1695 4.1986 4.1986 4.4900 4.4900 4.5040 4.5040 9.3348 9.3348 9.3377 9.3377 10.9976 10.9976 10.9998 10.9998 k = 0.3182 0.1837 0.3081 ( 2884 PWs) bands (ev): -6.3803 -6.3803 -6.3794 -6.3794 -2.3054 -2.3054 -2.3048 -2.3048 -2.1415 -2.1415 -2.0470 -2.0470 -1.6980 -1.6980 -1.6748 -1.6748 -1.5193 -1.5193 -1.4633 -1.4633 -1.3409 -1.3409 -1.2775 -1.2775 2.1510 2.1510 2.1572 2.1572 4.1692 4.1692 4.1967 4.1967 4.4600 4.4600 4.4738 4.4738 9.3122 9.3122 9.3148 9.3148 11.0002 11.0002 11.0026 11.0026 k = 0.3295 0.1903 0.3081 ( 2878 PWs) bands (ev): -6.3715 -6.3715 -6.3705 -6.3705 -2.3039 -2.3039 -2.3036 -2.3036 -2.1295 -2.1295 -2.0399 -2.0399 -1.6955 -1.6955 -1.6714 -1.6714 -1.5145 -1.5145 -1.4608 -1.4608 -1.3255 -1.3255 -1.2631 -1.2631 2.0780 2.0780 2.0847 2.0847 4.1706 4.1706 4.1965 4.1965 4.4313 4.4313 4.4447 4.4447 9.2883 9.2883 9.2906 9.2906 11.0009 11.0009 11.0035 11.0035 k = 0.3409 0.1968 0.3081 ( 2870 PWs) bands (ev): -6.3630 -6.3630 -6.3621 -6.3621 -2.3031 -2.3031 -2.3020 -2.3020 -2.1176 -2.1176 -2.0331 -2.0331 -1.6932 -1.6932 -1.6686 -1.6686 -1.5095 -1.5095 -1.4584 -1.4584 -1.3092 -1.3092 -1.2483 -1.2483 2.0063 2.0063 2.0133 2.0133 4.1735 4.1735 4.1978 4.1978 4.4038 4.4038 4.4168 4.4168 9.2637 9.2637 9.2659 9.2659 10.9998 10.9998 11.0025 11.0025 k = 0.3523 0.2034 0.3081 ( 2874 PWs) bands (ev): -6.3549 -6.3549 -6.3540 -6.3540 -2.3023 -2.3023 -2.3007 -2.3007 -2.1058 -2.1058 -2.0268 -2.0268 -1.6911 -1.6911 -1.6665 -1.6665 -1.5046 -1.5046 -1.4563 -1.4563 -1.2921 -1.2921 -1.2333 -1.2333 1.9365 1.9365 1.9436 1.9436 4.1774 4.1774 4.2002 4.2002 4.3778 4.3778 4.3904 4.3904 9.2391 9.2391 9.2412 9.2412 10.9969 10.9969 10.9996 10.9996 k = 0.3636 0.2099 0.3081 ( 2870 PWs) bands (ev): -6.3472 -6.3472 -6.3463 -6.3463 -2.3016 -2.3016 -2.2995 -2.2995 -2.0943 -2.0943 -2.0210 -2.0210 -1.6891 -1.6891 -1.6648 -1.6648 -1.4996 -1.4996 -1.4544 -1.4544 -1.2742 -1.2742 -1.2181 -1.2181 1.8691 1.8691 1.8762 1.8762 4.1821 4.1821 4.2035 4.2035 4.3533 4.3533 4.3655 4.3655 9.2149 9.2149 9.2168 9.2168 10.9926 10.9926 10.9951 10.9951 k = 0.3750 0.2165 0.3081 ( 2866 PWs) bands (ev): -6.3399 -6.3399 -6.3392 -6.3392 -2.3009 -2.3009 -2.2985 -2.2985 -2.0831 -2.0831 -2.0157 -2.0157 -1.6872 -1.6872 -1.6636 -1.6636 -1.4947 -1.4947 -1.4527 -1.4527 -1.2560 -1.2560 -1.2031 -1.2031 1.8046 1.8046 1.8117 1.8117 4.1873 4.1873 4.2072 4.2072 4.3306 4.3306 4.3423 4.3423 9.1915 9.1915 9.1934 9.1934 10.9870 10.9870 10.9894 10.9894 k = 0.3864 0.2231 0.3081 ( 2860 PWs) bands (ev): -6.3332 -6.3332 -6.3325 -6.3325 -2.3002 -2.3002 -2.2976 -2.2976 -2.0724 -2.0724 -2.0109 -2.0109 -1.6853 -1.6853 -1.6628 -1.6628 -1.4899 -1.4899 -1.4513 -1.4513 -1.2376 -1.2376 -1.1883 -1.1883 1.7436 1.7436 1.7504 1.7504 4.1927 4.1927 4.2112 4.2112 4.3097 4.3097 4.3209 4.3209 9.1693 9.1693 9.1710 9.1710 10.9805 10.9805 10.9828 10.9828 k = 0.3977 0.2296 0.3081 ( 2862 PWs) bands (ev): -6.3270 -6.3270 -6.3263 -6.3263 -2.2996 -2.2996 -2.2969 -2.2969 -2.0622 -2.0622 -2.0068 -2.0068 -1.6835 -1.6835 -1.6624 -1.6624 -1.4853 -1.4853 -1.4502 -1.4502 -1.2193 -1.2193 -1.1740 -1.1740 1.6865 1.6865 1.6930 1.6930 4.1979 4.1979 4.2151 4.2151 4.2908 4.2908 4.3016 4.3016 9.1485 9.1485 9.1502 9.1502 10.9735 10.9735 10.9756 10.9756 k = 0.4091 0.2362 0.3081 ( 2858 PWs) bands (ev): -6.3214 -6.3214 -6.3208 -6.3208 -2.2991 -2.2991 -2.2964 -2.2964 -2.0526 -2.0526 -2.0033 -2.0033 -1.6818 -1.6818 -1.6623 -1.6623 -1.4809 -1.4809 -1.4493 -1.4493 -1.2014 -1.2014 -1.1605 -1.1605 1.6339 1.6339 1.6399 1.6399 4.2028 4.2028 4.2186 4.2186 4.2742 4.2742 4.2844 4.2844 9.1294 9.1294 9.1310 9.1310 10.9663 10.9663 10.9681 10.9681 k = 0.4205 0.2427 0.3081 ( 2870 PWs) bands (ev): -6.3163 -6.3163 -6.3158 -6.3158 -2.2985 -2.2985 -2.2960 -2.2960 -2.0436 -2.0436 -2.0005 -2.0005 -1.6801 -1.6801 -1.6625 -1.6625 -1.4767 -1.4767 -1.4489 -1.4489 -1.1844 -1.1844 -1.1480 -1.1480 1.5861 1.5861 1.5916 1.5916 4.2068 4.2068 4.2209 4.2209 4.2604 4.2604 4.2698 4.2698 9.1122 9.1122 9.1136 9.1136 10.9591 10.9591 10.9608 10.9608 k = 0.4318 0.2493 0.3081 ( 2870 PWs) bands (ev): -6.3119 -6.3119 -6.3114 -6.3114 -2.2980 -2.2980 -2.2957 -2.2957 -2.0353 -2.0353 -1.9984 -1.9984 -1.6785 -1.6785 -1.6630 -1.6630 -1.4727 -1.4727 -1.4487 -1.4487 -1.1683 -1.1683 -1.1368 -1.1368 1.5437 1.5437 1.5486 1.5486 4.2093 4.2093 4.2210 4.2210 4.2506 4.2506 4.2582 4.2582 9.0970 9.0970 9.0983 9.0983 10.9524 10.9524 10.9538 10.9538 k = 0.4432 0.2559 0.3081 ( 2874 PWs) bands (ev): -6.3081 -6.3081 -6.3077 -6.3077 -2.2976 -2.2976 -2.2955 -2.2955 -2.0278 -2.0278 -1.9971 -1.9971 -1.6768 -1.6768 -1.6636 -1.6636 -1.4690 -1.4690 -1.4489 -1.4489 -1.1537 -1.1537 -1.1272 -1.1272 1.5071 1.5071 1.5112 1.5112 4.2097 4.2097 4.2177 4.2177 4.2456 4.2456 4.2503 4.2503 9.0840 9.0840 9.0851 9.0851 10.9462 10.9462 10.9474 10.9474 k = 0.4545 0.2624 0.3081 ( 2874 PWs) bands (ev): -6.3050 -6.3050 -6.3046 -6.3046 -2.2971 -2.2971 -2.2954 -2.2954 -2.0210 -2.0210 -1.9965 -1.9965 -1.6752 -1.6752 -1.6645 -1.6645 -1.4656 -1.4656 -1.4494 -1.4494 -1.1407 -1.1407 -1.1194 -1.1194 1.4767 1.4767 1.4800 1.4800 4.2079 4.2079 4.2122 4.2122 4.2444 4.2444 4.2461 4.2461 9.0732 9.0732 9.0741 9.0741 10.9409 10.9409 10.9419 10.9419 k = 0.4659 0.2690 0.3081 ( 2874 PWs) bands (ev): -6.3025 -6.3025 -6.3023 -6.3023 -2.2967 -2.2967 -2.2954 -2.2954 -2.0151 -2.0151 -1.9967 -1.9967 -1.6736 -1.6736 -1.6655 -1.6655 -1.4624 -1.4624 -1.4502 -1.4502 -1.1297 -1.1297 -1.1136 -1.1136 1.4527 1.4527 1.4553 1.4553 4.2046 4.2046 4.2066 4.2066 4.2448 4.2448 4.2448 4.2448 9.0648 9.0648 9.0655 9.0655 10.9367 10.9367 10.9374 10.9374 k = 0.4773 0.2756 0.3081 ( 2870 PWs) bands (ev): -6.3007 -6.3007 -6.3006 -6.3006 -2.2964 -2.2964 -2.2955 -2.2955 -2.0099 -2.0099 -1.9977 -1.9977 -1.6721 -1.6721 -1.6666 -1.6666 -1.4596 -1.4596 -1.4514 -1.4514 -1.1209 -1.1209 -1.1102 -1.1102 1.4355 1.4355 1.4372 1.4372 4.2014 4.2014 4.2022 4.2022 4.2449 4.2449 4.2454 4.2454 9.0588 9.0588 9.0593 9.0593 10.9335 10.9335 10.9340 10.9340 k = 0.4886 0.2821 0.3081 ( 2876 PWs) bands (ev): -6.2996 -6.2996 -6.2996 -6.2996 -2.2961 -2.2961 -2.2956 -2.2956 -2.0056 -2.0056 -1.9995 -1.9995 -1.6706 -1.6706 -1.6678 -1.6678 -1.4570 -1.4570 -1.4530 -1.4529 -1.1145 -1.1145 -1.1091 -1.1091 1.4253 1.4253 1.4261 1.4261 4.1992 4.1992 4.1995 4.1995 4.2454 4.2454 4.2458 4.2458 9.0552 9.0552 9.0554 9.0554 10.9317 10.9317 10.9319 10.9319 k = 0.5000 0.2887 0.3081 ( 2884 PWs) bands (ev): -6.2992 -6.2992 -6.2992 -6.2992 -2.2958 -2.2958 -2.2958 -2.2958 -2.0021 -2.0021 -2.0021 -2.0021 -1.6692 -1.6692 -1.6692 -1.6692 -1.4548 -1.4548 -1.4548 -1.4548 -1.1106 -1.1106 -1.1106 -1.1106 1.4221 1.4221 1.4221 1.4221 4.1985 4.1985 4.1985 4.1985 4.2458 4.2458 4.2458 4.2458 9.0541 9.0541 9.0541 9.0541 10.9311 10.9311 10.9311 10.9311 k = 0.5000 0.2887 0.3081 ( 2884 PWs) bands (ev): -6.2992 -6.2992 -6.2992 -6.2992 -2.2958 -2.2958 -2.2958 -2.2958 -2.0021 -2.0021 -2.0021 -2.0021 -1.6692 -1.6692 -1.6692 -1.6692 -1.4548 -1.4548 -1.4548 -1.4548 -1.1106 -1.1106 -1.1106 -1.1106 1.4221 1.4221 1.4221 1.4221 4.1985 4.1985 4.1985 4.1985 4.2458 4.2458 4.2458 4.2458 9.0541 9.0541 9.0541 9.0541 10.9311 10.9311 10.9311 10.9311 k = 0.4936 0.2998 0.3081 ( 2880 PWs) bands (ev): -6.2992 -6.2992 -6.2991 -6.2991 -2.2979 -2.2979 -2.2934 -2.2934 -2.0080 -2.0080 -1.9966 -1.9966 -1.6704 -1.6704 -1.6675 -1.6675 -1.4575 -1.4575 -1.4523 -1.4523 -1.1164 -1.1164 -1.1041 -1.1041 1.4221 1.4221 1.4231 1.4231 4.1750 4.1750 4.1978 4.1978 4.2423 4.2423 4.2661 4.2661 9.0563 9.0563 9.0607 9.0607 10.9326 10.9326 10.9337 10.9337 k = 0.4872 0.3109 0.3081 ( 2880 PWs) bands (ev): -6.2990 -6.2990 -6.2987 -6.2987 -2.2998 -2.2998 -2.2906 -2.2906 -2.0141 -2.0141 -1.9913 -1.9913 -1.6712 -1.6712 -1.6654 -1.6654 -1.4602 -1.4602 -1.4499 -1.4499 -1.1217 -1.1217 -1.0972 -1.0972 1.4230 1.4230 1.4250 1.4250 4.1440 4.1440 4.1708 4.1709 4.2581 4.2581 4.2866 4.2866 9.0672 9.0672 9.0760 9.0760 10.9381 10.9381 10.9404 10.9404 k = 0.4808 0.3220 0.3081 ( 2880 PWs) bands (ev): -6.2986 -6.2986 -6.2981 -6.2981 -2.3013 -2.3013 -2.2876 -2.2876 -2.0204 -2.0204 -1.9864 -1.9864 -1.6715 -1.6715 -1.6629 -1.6629 -1.4631 -1.4631 -1.4477 -1.4477 -1.1264 -1.1264 -1.0899 -1.0899 1.4249 1.4249 1.4279 1.4279 4.1080 4.1080 4.1357 4.1357 4.2755 4.2755 4.3049 4.3049 9.0866 9.0866 9.0996 9.0996 10.9477 10.9477 10.9512 10.9512 k = 0.4744 0.3331 0.3081 ( 2880 PWs) bands (ev): -6.2980 -6.2980 -6.2973 -6.2973 -2.3026 -2.3026 -2.2842 -2.2842 -2.0268 -2.0268 -1.9818 -1.9818 -1.6715 -1.6715 -1.6599 -1.6599 -1.4660 -1.4660 -1.4456 -1.4456 -1.1305 -1.1305 -1.0821 -1.0821 1.4276 1.4276 1.4316 1.4316 4.0673 4.0673 4.0958 4.0958 4.2914 4.2914 4.3210 4.3210 9.1140 9.1140 9.1310 9.1310 10.9614 10.9614 10.9661 10.9661 k = 0.4679 0.3442 0.3081 ( 2876 PWs) bands (ev): -6.2971 -6.2971 -6.2963 -6.2963 -2.3035 -2.3035 -2.2805 -2.2805 -2.0334 -2.0334 -1.9776 -1.9776 -1.6711 -1.6711 -1.6565 -1.6565 -1.4690 -1.4690 -1.4438 -1.4438 -1.1339 -1.1339 -1.0739 -1.0739 1.4312 1.4312 1.4363 1.4363 4.0223 4.0223 4.0519 4.0519 4.3057 4.3057 4.3350 4.3350 9.1487 9.1487 9.1694 9.1694 10.9792 10.9792 10.9851 10.9851 k = 0.4615 0.3553 0.3081 ( 2876 PWs) bands (ev): -6.2962 -6.2962 -6.2952 -6.2952 -2.3043 -2.3043 -2.2765 -2.2765 -2.0400 -2.0400 -1.9738 -1.9738 -1.6703 -1.6703 -1.6528 -1.6528 -1.4720 -1.4720 -1.4421 -1.4421 -1.1366 -1.1366 -1.0654 -1.0654 1.4356 1.4356 1.4417 1.4417 3.9732 3.9732 4.0042 4.0042 4.3185 4.3185 4.3473 4.3473 9.1898 9.1898 9.2139 9.2139 11.0012 11.0012 11.0083 11.0083 k = 0.4551 0.3664 0.3081 ( 2876 PWs) bands (ev): -6.2950 -6.2950 -6.2938 -6.2938 -2.3049 -2.3049 -2.2721 -2.2721 -2.0467 -2.0467 -1.9703 -1.9703 -1.6692 -1.6692 -1.6486 -1.6486 -1.4751 -1.4751 -1.4406 -1.4406 -1.1387 -1.1387 -1.0566 -1.0566 1.4408 1.4408 1.4479 1.4479 3.9204 3.9204 3.9532 3.9532 4.3302 4.3302 4.3581 4.3581 9.2365 9.2365 9.2636 9.2636 11.0273 11.0273 11.0357 11.0357 k = 0.4487 0.3775 0.3081 ( 2878 PWs) bands (ev): -6.2937 -6.2937 -6.2924 -6.2924 -2.3052 -2.3052 -2.2675 -2.2675 -2.0535 -2.0535 -1.9673 -1.9673 -1.6679 -1.6679 -1.6442 -1.6442 -1.4782 -1.4782 -1.4393 -1.4393 -1.1400 -1.1400 -1.0476 -1.0476 1.4466 1.4466 1.4548 1.4548 3.8645 3.8645 3.8994 3.8994 4.3409 4.3409 4.3679 4.3679 9.2876 9.2876 9.3174 9.3174 11.0576 11.0576 11.0673 11.0673 k = 0.4423 0.3886 0.3081 ( 2882 PWs) bands (ev): -6.2922 -6.2922 -6.2908 -6.2908 -2.3054 -2.3054 -2.2626 -2.2626 -2.0602 -2.0602 -1.9646 -1.9646 -1.6663 -1.6663 -1.6395 -1.6395 -1.4813 -1.4813 -1.4382 -1.4382 -1.1406 -1.1406 -1.0384 -1.0384 1.4530 1.4530 1.4622 1.4622 3.8062 3.8062 3.8432 3.8432 4.3508 4.3508 4.3767 4.3767 9.3420 9.3420 9.3741 9.3741 11.0918 11.0918 11.1029 11.1029 k = 0.4359 0.3997 0.3081 ( 2866 PWs) bands (ev): -6.2907 -6.2907 -6.2891 -6.2891 -2.3054 -2.3054 -2.2574 -2.2574 -2.0668 -2.0668 -1.9622 -1.9622 -1.6646 -1.6646 -1.6345 -1.6345 -1.4843 -1.4843 -1.4372 -1.4372 -1.1405 -1.1405 -1.0290 -1.0290 1.4598 1.4598 1.4702 1.4702 3.7462 3.7462 3.7853 3.7853 4.3600 4.3600 4.3848 4.3848 9.3986 9.3986 9.4327 9.4327 11.1299 11.1299 11.1424 11.1424 k = 0.4295 0.4108 0.3081 ( 2858 PWs) bands (ev): -6.2890 -6.2890 -6.2873 -6.2873 -2.3053 -2.3053 -2.2520 -2.2520 -2.0733 -2.0733 -1.9602 -1.9602 -1.6627 -1.6627 -1.6293 -1.6293 -1.4873 -1.4873 -1.4365 -1.4365 -1.1397 -1.1397 -1.0196 -1.0196 1.4670 1.4670 1.4784 1.4784 3.6851 3.6851 3.7261 3.7261 4.3688 4.3688 4.3923 4.3923 9.4562 9.4562 9.4921 9.4921 11.1714 11.1714 11.1856 11.1856 k = 0.4231 0.4219 0.3081 ( 2858 PWs) bands (ev): -6.2873 -6.2873 -6.2854 -6.2854 -2.3050 -2.3050 -2.2464 -2.2464 -2.0797 -2.0797 -1.9584 -1.9584 -1.6608 -1.6608 -1.6240 -1.6240 -1.4903 -1.4903 -1.4359 -1.4359 -1.1382 -1.1382 -1.0101 -1.0101 1.4744 1.4744 1.4870 1.4870 3.6237 3.6237 3.6665 3.6665 4.3770 4.3770 4.3994 4.3994 9.5137 9.5137 9.5512 9.5512 11.2161 11.2161 11.2320 11.2320 k = 0.4167 0.4330 0.3081 ( 2874 PWs) bands (ev): -6.2855 -6.2855 -6.2835 -6.2835 -2.3047 -2.3047 -2.2406 -2.2406 -2.0861 -2.0861 -1.9570 -1.9570 -1.6589 -1.6589 -1.6187 -1.6187 -1.4933 -1.4933 -1.4355 -1.4355 -1.1362 -1.1362 -1.0007 -1.0007 1.4819 1.4819 1.4955 1.4955 3.5626 3.5626 3.6070 3.6070 4.3848 4.3848 4.4060 4.4060 9.5702 9.5702 9.6089 9.6089 11.2632 11.2632 11.2811 11.2811 k = 0.4103 0.4441 0.3081 ( 2874 PWs) bands (ev): -6.2836 -6.2836 -6.2815 -6.2815 -2.3043 -2.3043 -2.2347 -2.2347 -2.0922 -2.0922 -1.9558 -1.9558 -1.6570 -1.6570 -1.6133 -1.6133 -1.4961 -1.4961 -1.4351 -1.4351 -1.1336 -1.1336 -0.9914 -0.9914 1.4893 1.4893 1.5040 1.5040 3.5028 3.5028 3.5485 3.5485 4.3922 4.3922 4.4122 4.4122 9.6246 9.6246 9.6644 9.6644 11.3119 11.3119 11.3323 11.3323 k = 0.4038 0.4552 0.3081 ( 2874 PWs) bands (ev): -6.2818 -6.2818 -6.2796 -6.2796 -2.3039 -2.3039 -2.2287 -2.2287 -2.0982 -2.0982 -1.9547 -1.9547 -1.6552 -1.6552 -1.6080 -1.6080 -1.4988 -1.4988 -1.4349 -1.4349 -1.1306 -1.1306 -0.9822 -0.9822 1.4965 1.4965 1.5123 1.5123 3.4448 3.4448 3.4916 3.4916 4.3992 4.3992 4.4180 4.4180 9.6762 9.6762 9.7170 9.7170 11.3612 11.3612 11.3845 11.3845 k = 0.3974 0.4663 0.3081 ( 2870 PWs) bands (ev): -6.2799 -6.2799 -6.2776 -6.2776 -2.3034 -2.3034 -2.2227 -2.2227 -2.1039 -2.1039 -1.9539 -1.9539 -1.6534 -1.6534 -1.6028 -1.6028 -1.5015 -1.5015 -1.4347 -1.4347 -1.1271 -1.1271 -0.9733 -0.9733 1.5032 1.5032 1.5201 1.5201 3.3894 3.3894 3.4370 3.4370 4.4059 4.4059 4.4235 4.4235 9.7243 9.7243 9.7658 9.7658 11.4098 11.4098 11.4366 11.4366 k = 0.3910 0.4774 0.3081 ( 2878 PWs) bands (ev): -6.2781 -6.2781 -6.2758 -6.2758 -2.3029 -2.3029 -2.2167 -2.2167 -2.1094 -2.1094 -1.9532 -1.9532 -1.6518 -1.6518 -1.5979 -1.5979 -1.5040 -1.5040 -1.4345 -1.4345 -1.1233 -1.1233 -0.9648 -0.9648 1.5094 1.5094 1.5272 1.5272 3.3372 3.3372 3.3854 3.3854 4.4121 4.4121 4.4286 4.4286 9.7683 9.7683 9.8105 9.8105 11.4565 11.4565 11.4875 11.4875 k = 0.3846 0.4885 0.3081 ( 2876 PWs) bands (ev): -6.2764 -6.2764 -6.2740 -6.2740 -2.3024 -2.3024 -2.2109 -2.2109 -2.1146 -2.1146 -1.9527 -1.9527 -1.6502 -1.6502 -1.5933 -1.5933 -1.5063 -1.5063 -1.4344 -1.4344 -1.1193 -1.1193 -0.9568 -0.9568 1.5148 1.5148 1.5336 1.5336 3.2889 3.2889 3.3374 3.3374 4.4179 4.4179 4.4333 4.4333 9.8078 9.8078 9.8505 9.8505 11.4997 11.4997 11.5358 11.5358 k = 0.3782 0.4996 0.3081 ( 2876 PWs) bands (ev): -6.2748 -6.2748 -6.2723 -6.2723 -2.3019 -2.3019 -2.2052 -2.2052 -2.1195 -2.1195 -1.9522 -1.9522 -1.6489 -1.6489 -1.5890 -1.5890 -1.5084 -1.5084 -1.4343 -1.4343 -1.1153 -1.1153 -0.9492 -0.9492 1.5194 1.5194 1.5391 1.5391 3.2451 3.2451 3.2937 3.2937 4.4232 4.4232 4.4376 4.4376 9.8425 9.8425 9.8856 9.8856 11.5382 11.5382 11.5799 11.5799 k = 0.3718 0.5107 0.3081 ( 2876 PWs) bands (ev): -6.2733 -6.2733 -6.2707 -6.2707 -2.3015 -2.3015 -2.1998 -2.1998 -2.1241 -2.1241 -1.9519 -1.9519 -1.6476 -1.6476 -1.5851 -1.5851 -1.5103 -1.5103 -1.4342 -1.4342 -1.1113 -1.1113 -0.9423 -0.9423 1.5230 1.5230 1.5436 1.5436 3.2062 3.2062 3.2549 3.2549 4.4279 4.4279 4.4414 4.4414 9.8723 9.8723 9.9157 9.9157 11.5709 11.5709 11.6188 11.6188 k = 0.3654 0.5218 0.3081 ( 2870 PWs) bands (ev): -6.2720 -6.2720 -6.2693 -6.2693 -2.3011 -2.3011 -2.1948 -2.1948 -2.1282 -2.1282 -1.9516 -1.9516 -1.6466 -1.6466 -1.5818 -1.5818 -1.5119 -1.5119 -1.4340 -1.4340 -1.1075 -1.1075 -0.9361 -0.9361 1.5257 1.5257 1.5470 1.5470 3.1728 3.1728 3.2213 3.2213 4.4321 4.4321 4.4447 4.4447 9.8969 9.8969 9.9406 9.9406 11.5970 11.5970 11.6512 11.6512 k = 0.3590 0.5329 0.3081 ( 2878 PWs) bands (ev): -6.2708 -6.2708 -6.2681 -6.2681 -2.3008 -2.3008 -2.1903 -2.1903 -2.1318 -2.1318 -1.9514 -1.9514 -1.6458 -1.6458 -1.5790 -1.5790 -1.5132 -1.5132 -1.4339 -1.4339 -1.1040 -1.1040 -0.9308 -0.9308 1.5274 1.5274 1.5493 1.5493 3.1451 3.1451 3.1935 3.1935 4.4357 4.4357 4.4475 4.4475 9.9165 9.9165 9.9604 9.9604 11.6166 11.6166 11.6767 11.6767 k = 0.3526 0.5440 0.3081 ( 2882 PWs) bands (ev): -6.2699 -6.2699 -6.2672 -6.2672 -2.3005 -2.3005 -2.1867 -2.1867 -2.1348 -2.1348 -1.9512 -1.9512 -1.6451 -1.6451 -1.5769 -1.5769 -1.5142 -1.5142 -1.4338 -1.4338 -1.1010 -1.1010 -0.9265 -0.9265 1.5283 1.5283 1.5507 1.5507 3.1235 3.1235 3.1717 3.1717 4.4385 4.4385 4.4498 4.4498 9.9313 9.9313 9.9752 9.9752 11.6302 11.6302 11.6954 11.6954 k = 0.3462 0.5551 0.3081 ( 2890 PWs) bands (ev): -6.2692 -6.2692 -6.2664 -6.2664 -2.3003 -2.3003 -2.1839 -2.1839 -2.1369 -2.1369 -1.9511 -1.9511 -1.6446 -1.6446 -1.5754 -1.5754 -1.5149 -1.5149 -1.4337 -1.4337 -1.0988 -1.0988 -0.9233 -0.9233 1.5286 1.5286 1.5513 1.5513 3.1080 3.1080 3.1561 3.1561 4.4406 4.4406 4.4514 4.4514 9.9413 9.9413 9.9853 9.9853 11.6387 11.6387 11.7077 11.7077 k = 0.3397 0.5662 0.3081 ( 2898 PWs) bands (ev): -6.2688 -6.2688 -6.2660 -6.2660 -2.3002 -2.3002 -2.1822 -2.1822 -2.1382 -2.1382 -1.9511 -1.9511 -1.6444 -1.6444 -1.5745 -1.5745 -1.5153 -1.5153 -1.4337 -1.4337 -1.0973 -1.0973 -0.9213 -0.9213 1.5285 1.5285 1.5514 1.5514 3.0988 3.0988 3.1467 3.1467 4.4419 4.4419 4.4524 4.4524 9.9470 9.9470 9.9911 9.9911 11.6432 11.6432 11.7145 11.7145 k = 0.3333 0.5774 0.3081 ( 2910 PWs) bands (ev): -6.2686 -6.2686 -6.2658 -6.2658 -2.3002 -2.3002 -2.1817 -2.1817 -2.1387 -2.1387 -1.9511 -1.9511 -1.6443 -1.6443 -1.5742 -1.5742 -1.5155 -1.5155 -1.4337 -1.4337 -1.0968 -1.0968 -0.9207 -0.9207 1.5283 1.5283 1.5514 1.5514 3.0958 3.0958 3.1436 3.1436 4.4423 4.4423 4.4527 4.4527 9.9488 9.9488 9.9929 9.9929 11.6446 11.6446 11.7166 11.7166 k = 0.3333 0.5774 0.3081 ( 2910 PWs) bands (ev): -6.2686 -6.2686 -6.2658 -6.2658 -2.3002 -2.3002 -2.1817 -2.1817 -2.1387 -2.1387 -1.9511 -1.9511 -1.6443 -1.6443 -1.5742 -1.5742 -1.5155 -1.5155 -1.4337 -1.4337 -1.0968 -1.0968 -0.9207 -0.9207 1.5283 1.5283 1.5514 1.5514 3.0958 3.0958 3.1436 3.1436 4.4423 4.4423 4.4527 4.4527 9.9488 9.9488 9.9929 9.9929 11.6446 11.6446 11.7166 11.7166 k = 0.3268 0.5660 0.3081 ( 2890 PWs) bands (ev): -6.2688 -6.2688 -6.2660 -6.2660 -2.3002 -2.3002 -2.1822 -2.1822 -2.1383 -2.1383 -1.9511 -1.9511 -1.6444 -1.6444 -1.5745 -1.5745 -1.5153 -1.5153 -1.4337 -1.4337 -1.0973 -1.0973 -0.9214 -0.9214 1.5286 1.5286 1.5516 1.5516 3.0989 3.0989 3.1468 3.1468 4.4419 4.4419 4.4524 4.4524 9.9471 9.9471 9.9912 9.9912 11.6432 11.6432 11.7145 11.7145 k = 0.3203 0.5547 0.3081 ( 2886 PWs) bands (ev): -6.2693 -6.2693 -6.2665 -6.2665 -2.3003 -2.3003 -2.1836 -2.1836 -2.1374 -2.1374 -1.9512 -1.9512 -1.6446 -1.6446 -1.5753 -1.5753 -1.5151 -1.5151 -1.4338 -1.4338 -1.0992 -1.0992 -0.9237 -0.9237 1.5298 1.5298 1.5525 1.5525 3.1080 3.1080 3.1561 3.1561 4.4405 4.4405 4.4513 4.4513 9.9424 9.9424 9.9864 9.9864 11.6391 11.6391 11.7085 11.7085 k = 0.3137 0.5434 0.3081 ( 2880 PWs) bands (ev): -6.2702 -6.2702 -6.2674 -6.2674 -2.3005 -2.3005 -2.1857 -2.1857 -2.1363 -2.1363 -1.9514 -1.9514 -1.6451 -1.6451 -1.5765 -1.5765 -1.5148 -1.5148 -1.4340 -1.4340 -1.1024 -1.1024 -0.9277 -0.9277 1.5323 1.5323 1.5548 1.5548 3.1228 3.1228 3.1712 3.1712 4.4381 4.4381 4.4494 4.4494 9.9352 9.9352 9.9791 9.9791 11.6320 11.6320 11.6986 11.6986 k = 0.3072 0.5321 0.3081 ( 2880 PWs) bands (ev): -6.2715 -6.2715 -6.2687 -6.2687 -2.3008 -2.3008 -2.1882 -2.1882 -2.1352 -2.1352 -1.9517 -1.9517 -1.6457 -1.6457 -1.5781 -1.5781 -1.5145 -1.5145 -1.4343 -1.4343 -1.1071 -1.1071 -0.9334 -0.9334 1.5367 1.5367 1.5587 1.5587 3.1431 3.1431 3.1918 3.1918 4.4347 4.4347 4.4467 4.4467 9.9260 9.9260 9.9700 9.9700 11.6216 11.6216 11.6848 11.6848 k = 0.3007 0.5207 0.3081 ( 2864 PWs) bands (ev): -6.2731 -6.2731 -6.2705 -6.2705 -2.3012 -2.3012 -2.1910 -2.1910 -2.1342 -2.1342 -1.9522 -1.9522 -1.6465 -1.6465 -1.5800 -1.5800 -1.5143 -1.5143 -1.4348 -1.4348 -1.1133 -1.1133 -0.9408 -0.9408 1.5435 1.5435 1.5649 1.5649 3.1683 3.1683 3.2175 3.2175 4.4304 4.4304 4.4432 4.4432 9.9154 9.9154 9.9594 9.9594 11.6076 11.6076 11.6672 11.6672 k = 0.2941 0.5094 0.3081 ( 2864 PWs) bands (ev): -6.2753 -6.2753 -6.2726 -6.2726 -2.3016 -2.3016 -2.1940 -2.1940 -2.1336 -2.1336 -1.9530 -1.9530 -1.6475 -1.6475 -1.5822 -1.5822 -1.5142 -1.5142 -1.4354 -1.4354 -1.1210 -1.1210 -0.9499 -0.9499 1.5530 1.5530 1.5738 1.5738 3.1982 3.1982 3.2480 3.2480 4.4252 4.4252 4.4389 4.4389 9.9039 9.9039 9.9479 9.9479 11.5902 11.5902 11.6462 11.6462 k = 0.2876 0.4981 0.3081 ( 2862 PWs) bands (ev): -6.2778 -6.2778 -6.2753 -6.2753 -2.3022 -2.3022 -2.1972 -2.1972 -2.1334 -2.1334 -1.9539 -1.9539 -1.6487 -1.6487 -1.5846 -1.5846 -1.5144 -1.5144 -1.4362 -1.4362 -1.1302 -1.1302 -0.9608 -0.9608 1.5656 1.5656 1.5857 1.5857 3.2324 3.2324 3.2827 3.2827 4.4191 4.4191 4.4337 4.4337 9.8919 9.8919 9.9359 9.9359 11.5694 11.5694 11.6221 11.6221 k = 0.2810 0.4868 0.3081 ( 2866 PWs) bands (ev): -6.2809 -6.2809 -6.2783 -6.2783 -2.3028 -2.3028 -2.2005 -2.2005 -2.1336 -2.1336 -1.9553 -1.9553 -1.6500 -1.6500 -1.5873 -1.5873 -1.5148 -1.5148 -1.4371 -1.4371 -1.1408 -1.1408 -0.9734 -0.9734 1.5817 1.5817 1.6010 1.6010 3.2705 3.2705 3.3214 3.3214 4.4121 4.4121 4.4279 4.4279 9.8797 9.8797 9.9238 9.9238 11.5457 11.5457 11.5953 11.5953 k = 0.2745 0.4755 0.3081 ( 2862 PWs) bands (ev): -6.2843 -6.2843 -6.2819 -6.2819 -2.3035 -2.3035 -2.2038 -2.2038 -2.1343 -2.1343 -1.9569 -1.9569 -1.6515 -1.6515 -1.5901 -1.5901 -1.5154 -1.5154 -1.4381 -1.4381 -1.1526 -1.1526 -0.9875 -0.9875 1.6014 1.6014 1.6199 1.6199 3.3121 3.3121 3.3636 3.3636 4.4044 4.4044 4.4212 4.4212 9.8678 9.8678 9.9119 9.9119 11.5193 11.5193 11.5662 11.5662 k = 0.2680 0.4641 0.3081 ( 2858 PWs) bands (ev): -6.2883 -6.2883 -6.2859 -6.2859 -2.3042 -2.3042 -2.2073 -2.2073 -2.1355 -2.1355 -1.9590 -1.9590 -1.6532 -1.6532 -1.5931 -1.5931 -1.5162 -1.5162 -1.4393 -1.4393 -1.1657 -1.1657 -1.0031 -1.0031 1.6250 1.6250 1.6425 1.6425 3.3569 3.3569 3.4090 3.4090 4.3959 4.3959 4.4139 4.4139 9.8562 9.8562 9.9004 9.9004 11.4907 11.4907 11.5352 11.5352 k = 0.2614 0.4528 0.3081 ( 2858 PWs) bands (ev): -6.2927 -6.2927 -6.2904 -6.2904 -2.3050 -2.3050 -2.2108 -2.2108 -2.1372 -2.1372 -1.9615 -1.9615 -1.6550 -1.6550 -1.5964 -1.5964 -1.5174 -1.5174 -1.4405 -1.4405 -1.1797 -1.1797 -1.0200 -1.0200 1.6525 1.6525 1.6690 1.6690 3.4046 3.4046 3.4573 3.4573 4.3868 4.3868 4.4061 4.4061 9.8453 9.8453 9.8896 9.8896 11.4602 11.4602 11.5026 11.5026 k = 0.2549 0.4415 0.3081 ( 2862 PWs) bands (ev): -6.2976 -6.2976 -6.2954 -6.2954 -2.3058 -2.3058 -2.2144 -2.2144 -2.1394 -2.1394 -1.9645 -1.9645 -1.6571 -1.6571 -1.5998 -1.5998 -1.5188 -1.5188 -1.4420 -1.4420 -1.1946 -1.1946 -1.0380 -1.0380 1.6839 1.6839 1.6994 1.6994 3.4549 3.4549 3.5080 3.5080 4.3772 4.3772 4.3977 4.3977 9.8351 9.8351 9.8796 9.8796 11.4281 11.4281 11.4686 11.4686 k = 0.2484 0.4302 0.3081 ( 2874 PWs) bands (ev): -6.3030 -6.3030 -6.3009 -6.3009 -2.3067 -2.3067 -2.2181 -2.2181 -2.1421 -2.1421 -1.9680 -1.9680 -1.6593 -1.6593 -1.6034 -1.6034 -1.5204 -1.5204 -1.4435 -1.4435 -1.2102 -1.2102 -1.0569 -1.0569 1.7193 1.7193 1.7336 1.7336 3.5074 3.5074 3.5609 3.5609 4.3672 4.3672 4.3889 4.3889 9.8258 9.8258 9.8704 9.8704 11.3946 11.3946 11.4336 11.4336 k = 0.2418 0.4189 0.3081 ( 2874 PWs) bands (ev): -6.3089 -6.3089 -6.3068 -6.3068 -2.3075 -2.3075 -2.2219 -2.2219 -2.1452 -2.1452 -1.9722 -1.9722 -1.6616 -1.6616 -1.6073 -1.6073 -1.5223 -1.5223 -1.4452 -1.4452 -1.2261 -1.2261 -1.0766 -1.0766 1.7585 1.7585 1.7716 1.7716 3.5619 3.5619 3.6156 3.6156 4.3570 4.3570 4.3800 4.3800 9.8172 9.8172 9.8620 9.8620 11.3600 11.3600 11.3976 11.3976 k = 0.2353 0.4075 0.3081 ( 2876 PWs) bands (ev): -6.3151 -6.3151 -6.3131 -6.3131 -2.3085 -2.3085 -2.2258 -2.2258 -2.1488 -2.1488 -1.9769 -1.9769 -1.6642 -1.6642 -1.6114 -1.6114 -1.5243 -1.5243 -1.4469 -1.4469 -1.2423 -1.2423 -1.0968 -1.0968 1.8013 1.8013 1.8132 1.8132 3.6180 3.6180 3.6719 3.6719 4.3466 4.3466 4.3710 4.3710 9.8094 9.8094 9.8544 9.8544 11.3244 11.3244 11.3609 11.3609 k = 0.2288 0.3962 0.3081 ( 2872 PWs) bands (ev): -6.3219 -6.3219 -6.3200 -6.3200 -2.3094 -2.3094 -2.2298 -2.2298 -2.1529 -2.1529 -1.9822 -1.9822 -1.6669 -1.6669 -1.6158 -1.6158 -1.5264 -1.5264 -1.4488 -1.4488 -1.2585 -1.2585 -1.1174 -1.1174 1.8477 1.8477 1.8583 1.8583 3.6755 3.6755 3.7294 3.7294 4.3364 4.3364 4.3621 4.3621 9.8023 9.8023 9.8475 9.8475 11.2879 11.2879 11.3235 11.3235 k = 0.2222 0.3849 0.3081 ( 2860 PWs) bands (ev): -6.3290 -6.3290 -6.3272 -6.3272 -2.3103 -2.3103 -2.2339 -2.2339 -2.1573 -2.1573 -1.9881 -1.9881 -1.6697 -1.6697 -1.6205 -1.6205 -1.5286 -1.5286 -1.4507 -1.4507 -1.2746 -1.2746 -1.1380 -1.1380 1.8973 1.8973 1.9067 1.9067 3.7341 3.7341 3.7877 3.7877 4.3265 4.3265 4.3537 4.3537 9.7957 9.7957 9.8411 9.8411 11.2506 11.2506 11.2856 11.2856 k = 0.2157 0.3736 0.3081 ( 2862 PWs) bands (ev): -6.3366 -6.3366 -6.3348 -6.3348 -2.3113 -2.3113 -2.2382 -2.2382 -2.1621 -2.1621 -1.9947 -1.9947 -1.6728 -1.6728 -1.6255 -1.6255 -1.5309 -1.5309 -1.4527 -1.4527 -1.2904 -1.2904 -1.1586 -1.1586 1.9498 1.9498 1.9581 1.9581 3.7935 3.7935 3.8465 3.8465 4.3173 4.3173 4.3460 4.3460 9.7894 9.7894 9.8350 9.8350 11.2128 11.2128 11.2475 11.2475 k = 0.2092 0.3623 0.3081 ( 2862 PWs) bands (ev): -6.3446 -6.3446 -6.3429 -6.3429 -2.3124 -2.3124 -2.2426 -2.2426 -2.1672 -2.1672 -2.0018 -2.0018 -1.6760 -1.6760 -1.6308 -1.6308 -1.5331 -1.5331 -1.4548 -1.4548 -1.3058 -1.3058 -1.1790 -1.1790 2.0051 2.0051 2.0123 2.0123 3.8533 3.8533 3.9053 3.9053 4.3091 4.3091 4.3393 4.3393 9.7832 9.7832 9.8288 9.8288 11.1747 11.1747 11.2094 11.2094 k = 0.2026 0.3509 0.3081 ( 2862 PWs) bands (ev): -6.3529 -6.3529 -6.3512 -6.3512 -2.3134 -2.3134 -2.2472 -2.2472 -2.1726 -2.1726 -2.0094 -2.0094 -1.6794 -1.6794 -1.6365 -1.6365 -1.5353 -1.5353 -1.4570 -1.4570 -1.3206 -1.3206 -1.1989 -1.1989 2.0627 2.0627 2.0689 2.0689 3.9130 3.9130 3.9635 3.9635 4.3023 4.3023 4.3343 4.3343 9.7765 9.7765 9.8223 9.8223 11.1366 11.1366 11.1716 11.1716 k = 0.1961 0.3396 0.3081 ( 2860 PWs) bands (ev): -6.3615 -6.3615 -6.3600 -6.3600 -2.3145 -2.3145 -2.2519 -2.2519 -2.1783 -2.1783 -2.0175 -2.0175 -1.6830 -1.6830 -1.6426 -1.6426 -1.5373 -1.5373 -1.4593 -1.4593 -1.3348 -1.3348 -1.2182 -1.2182 2.1222 2.1222 2.1277 2.1277 3.9721 3.9721 4.0203 4.0203 4.2977 4.2977 4.3317 4.3317 9.7691 9.7691 9.8149 9.8149 11.0989 11.0989 11.1346 11.1346 k = 0.1895 0.3283 0.3081 ( 2860 PWs) bands (ev): -6.3705 -6.3705 -6.3690 -6.3690 -2.3156 -2.3156 -2.2568 -2.2568 -2.1842 -2.1842 -2.0260 -2.0260 -1.6867 -1.6867 -1.6490 -1.6490 -1.5393 -1.5393 -1.4616 -1.4616 -1.3482 -1.3482 -1.2369 -1.2369 2.1833 2.1833 2.1883 2.1883 4.0299 4.0299 4.0744 4.0744 4.2963 4.2963 4.3326 4.3326 9.7605 9.7605 9.8061 9.8061 11.0623 11.0623 11.0989 11.0989 k = 0.1830 0.3170 0.3081 ( 2854 PWs) bands (ev): -6.3797 -6.3797 -6.3782 -6.3782 -2.3168 -2.3168 -2.2619 -2.2619 -2.1902 -2.1902 -2.0349 -2.0349 -1.6905 -1.6905 -1.6558 -1.6558 -1.5411 -1.5411 -1.4640 -1.4640 -1.3609 -1.3609 -1.2548 -1.2548 2.2456 2.2456 2.2504 2.2504 4.0848 4.0848 4.1240 4.1240 4.2995 4.2995 4.3389 4.3389 9.7499 9.7499 9.7952 9.7952 11.0276 11.0276 11.0651 11.0651 k = 0.1765 0.3057 0.3081 ( 2870 PWs) bands (ev): -6.3891 -6.3891 -6.3877 -6.3877 -2.3181 -2.3181 -2.2671 -2.2671 -2.1964 -2.1964 -2.0440 -2.0440 -1.6945 -1.6945 -1.6630 -1.6630 -1.5427 -1.5427 -1.4664 -1.4664 -1.3727 -1.3727 -1.2719 -1.2719 2.3086 2.3086 2.3133 2.3133 4.1346 4.1346 4.1666 4.1666 4.3099 4.3099 4.3534 4.3534 9.7368 9.7368 9.7816 9.7816 10.9954 10.9954 11.0340 11.0340 k = 0.1699 0.2943 0.3081 ( 2874 PWs) bands (ev): -6.3987 -6.3987 -6.3974 -6.3974 -2.3195 -2.3195 -2.2725 -2.2725 -2.2027 -2.2027 -2.0532 -2.0532 -1.6987 -1.6987 -1.6704 -1.6704 -1.5441 -1.5441 -1.4688 -1.4688 -1.3837 -1.3837 -1.2881 -1.2881 2.3718 2.3718 2.3767 2.3767 4.1751 4.1751 4.2010 4.2010 4.3302 4.3302 4.3788 4.3788 9.7204 9.7204 9.7646 9.7646 10.9668 10.9668 11.0063 11.0063 k = 0.1634 0.2830 0.3081 ( 2874 PWs) bands (ev): -6.4085 -6.4085 -6.4072 -6.4072 -2.3209 -2.3209 -2.2780 -2.2780 -2.2089 -2.2089 -2.0626 -2.0626 -1.7030 -1.7030 -1.6781 -1.6781 -1.5452 -1.5452 -1.4712 -1.4712 -1.3937 -1.3937 -1.3033 -1.3033 2.4348 2.4348 2.4400 2.4400 4.2034 4.2034 4.2289 4.2289 4.3619 4.3619 4.4152 4.4152 9.7001 9.7001 9.7433 9.7433 10.9427 10.9427 10.9830 10.9830 k = 0.1569 0.2717 0.3081 ( 2878 PWs) bands (ev): -6.4184 -6.4184 -6.4172 -6.4172 -2.3226 -2.3226 -2.2836 -2.2836 -2.2151 -2.2151 -2.0719 -2.0719 -1.7075 -1.7075 -1.6859 -1.6859 -1.5461 -1.5461 -1.4736 -1.4736 -1.4030 -1.4030 -1.3177 -1.3177 2.4971 2.4971 2.5025 2.5025 4.2229 4.2229 4.2519 4.2519 4.4036 4.4036 4.4593 4.4593 9.6751 9.6751 9.7171 9.7171 10.9240 10.9240 10.9647 10.9647 k = 0.1503 0.2604 0.3081 ( 2882 PWs) bands (ev): -6.4283 -6.4283 -6.4272 -6.4272 -2.3243 -2.3243 -2.2894 -2.2894 -2.2212 -2.2212 -2.0811 -2.0811 -1.7122 -1.7122 -1.6939 -1.6939 -1.5468 -1.5468 -1.4760 -1.4760 -1.4113 -1.4113 -1.3312 -1.3312 2.5581 2.5581 2.5638 2.5638 4.2395 4.2395 4.2722 4.2722 4.4514 4.4514 4.5075 4.5075 9.6450 9.6450 9.6855 9.6855 10.9114 10.9114 10.9523 10.9523 k = 0.1438 0.2491 0.3081 ( 2882 PWs) bands (ev): -6.4383 -6.4383 -6.4372 -6.4372 -2.3263 -2.3263 -2.2952 -2.2952 -2.2269 -2.2269 -2.0902 -2.0902 -1.7170 -1.7170 -1.7018 -1.7018 -1.5473 -1.5473 -1.4783 -1.4783 -1.4189 -1.4189 -1.3438 -1.3438 2.6172 2.6172 2.6233 2.6233 4.2566 4.2566 4.2924 4.2924 4.5021 4.5021 4.5574 4.5574 9.6094 9.6094 9.6480 9.6480 10.9056 10.9056 10.9462 10.9462 k = 0.1373 0.2377 0.3081 ( 2876 PWs) bands (ev): -6.4482 -6.4482 -6.4472 -6.4472 -2.3285 -2.3285 -2.3011 -2.3011 -2.2324 -2.2324 -2.0992 -2.0992 -1.7222 -1.7222 -1.7096 -1.7096 -1.5475 -1.5475 -1.4805 -1.4805 -1.4257 -1.4257 -1.3556 -1.3556 2.6740 2.6740 2.6803 2.6803 4.2763 4.2763 4.3146 4.3146 4.5535 4.5535 4.6075 4.6075 9.5679 9.5679 9.6047 9.6047 10.9069 10.9069 10.9469 10.9469 k = 0.1307 0.2264 0.3081 ( 2868 PWs) bands (ev): -6.4581 -6.4581 -6.4571 -6.4571 -2.3309 -2.3309 -2.3071 -2.3071 -2.2374 -2.2374 -2.1079 -2.1079 -1.7277 -1.7277 -1.7171 -1.7171 -1.5474 -1.5474 -1.4825 -1.4825 -1.4318 -1.4318 -1.3666 -1.3666 2.7277 2.7277 2.7344 2.7344 4.2995 4.2995 4.3400 4.3400 4.6046 4.6046 4.6570 4.6570 9.5207 9.5207 9.5555 9.5555 10.9154 10.9154 10.9546 10.9546 k = 0.1242 0.2151 0.3081 ( 2864 PWs) bands (ev): -6.4678 -6.4678 -6.4669 -6.4669 -2.3336 -2.3336 -2.3130 -2.3130 -2.2419 -2.2419 -2.1163 -2.1163 -1.7336 -1.7336 -1.7240 -1.7240 -1.5471 -1.5471 -1.4845 -1.4845 -1.4372 -1.4372 -1.3768 -1.3768 2.7781 2.7781 2.7850 2.7850 4.3270 4.3270 4.3693 4.3693 4.6547 4.6547 4.7053 4.7053 9.4681 9.4681 9.5008 9.5008 10.9311 10.9311 10.9691 10.9691 k = 0.1176 0.2038 0.3081 ( 2860 PWs) bands (ev): -6.4774 -6.4774 -6.4765 -6.4765 -2.3366 -2.3366 -2.3190 -2.3190 -2.2459 -2.2459 -2.1245 -2.1245 -1.7400 -1.7400 -1.7304 -1.7304 -1.5465 -1.5465 -1.4862 -1.4862 -1.4421 -1.4421 -1.3865 -1.3865 2.8246 2.8246 2.8317 2.8317 4.3593 4.3593 4.4030 4.4030 4.7034 4.7034 4.7520 4.7520 9.4103 9.4103 9.4410 9.4410 10.9535 10.9535 10.9901 10.9901 k = 0.1111 0.1925 0.3081 ( 2856 PWs) bands (ev): -6.4868 -6.4868 -6.4859 -6.4859 -2.3398 -2.3398 -2.3249 -2.3249 -2.2493 -2.2493 -2.1324 -2.1324 -1.7467 -1.7467 -1.7363 -1.7363 -1.5457 -1.5457 -1.4878 -1.4878 -1.4465 -1.4465 -1.3955 -1.3955 2.8670 2.8670 2.8742 2.8742 4.3964 4.3964 4.4412 4.4412 4.7503 4.7503 4.7968 4.7968 9.3480 9.3480 9.3769 9.3769 10.9823 10.9823 11.0174 11.0174 k = 0.1046 0.1811 0.3081 ( 2860 PWs) bands (ev): -6.4959 -6.4959 -6.4950 -6.4950 -2.3432 -2.3432 -2.3307 -2.3307 -2.2520 -2.2520 -2.1401 -2.1401 -1.7534 -1.7534 -1.7418 -1.7418 -1.5447 -1.5447 -1.4893 -1.4893 -1.4504 -1.4504 -1.4040 -1.4040 2.9051 2.9051 2.9124 2.9124 4.4384 4.4384 4.4840 4.4840 4.7953 4.7953 4.8395 4.8395 9.2818 9.2818 9.3090 9.3090 11.0169 11.0169 11.0505 11.0505 k = 0.0980 0.1698 0.3081 ( 2860 PWs) bands (ev): -6.5047 -6.5047 -6.5039 -6.5039 -2.3468 -2.3468 -2.3364 -2.3364 -2.2541 -2.2541 -2.1475 -2.1475 -1.7599 -1.7599 -1.7471 -1.7471 -1.5434 -1.5434 -1.4905 -1.4905 -1.4539 -1.4539 -1.4119 -1.4119 2.9388 2.9388 2.9462 2.9462 4.4851 4.4851 4.5311 4.5311 4.8381 4.8381 4.8800 4.8800 9.2125 9.2125 9.2382 9.2382 11.0568 11.0568 11.0886 11.0886 k = 0.0915 0.1585 0.3081 ( 2858 PWs) bands (ev): -6.5131 -6.5131 -6.5124 -6.5124 -2.3504 -2.3504 -2.3420 -2.3420 -2.2557 -2.2557 -2.1546 -2.1546 -1.7662 -1.7662 -1.7523 -1.7523 -1.5419 -1.5419 -1.4915 -1.4915 -1.4570 -1.4570 -1.4194 -1.4194 2.9684 2.9684 2.9757 2.9757 4.5359 4.5359 4.5819 4.5819 4.8786 4.8786 4.9181 4.9181 9.1408 9.1408 9.1652 9.1652 11.1014 11.1014 11.1313 11.1313 k = 0.0850 0.1472 0.3081 ( 2862 PWs) bands (ev): -6.5212 -6.5212 -6.5205 -6.5205 -2.3542 -2.3542 -2.3474 -2.3474 -2.2566 -2.2566 -2.1615 -2.1615 -1.7720 -1.7720 -1.7573 -1.7573 -1.5402 -1.5402 -1.4924 -1.4924 -1.4599 -1.4599 -1.4265 -1.4265 2.9940 2.9940 3.0011 3.0011 4.5903 4.5903 4.6358 4.6358 4.9166 4.9166 4.9537 4.9537 9.0676 9.0676 9.0908 9.0908 11.1499 11.1499 11.1779 11.1779 k = 0.0784 0.1358 0.3081 ( 2854 PWs) bands (ev): -6.5288 -6.5288 -6.5282 -6.5282 -2.3579 -2.3579 -2.3525 -2.3525 -2.2570 -2.2570 -2.1682 -2.1681 -1.7774 -1.7774 -1.7621 -1.7621 -1.5383 -1.5383 -1.4930 -1.4930 -1.4625 -1.4625 -1.4332 -1.4332 3.0159 3.0159 3.0227 3.0227 4.6474 4.6474 4.6922 4.6922 4.9522 4.9522 4.9868 4.9868 8.9937 8.9937 9.0158 9.0158 11.2018 11.2018 11.2277 11.2277 k = 0.0719 0.1245 0.3081 ( 2862 PWs) bands (ev): -6.5360 -6.5360 -6.5354 -6.5354 -2.3615 -2.3615 -2.3573 -2.3573 -2.2569 -2.2569 -2.1746 -2.1746 -1.7824 -1.7824 -1.7669 -1.7669 -1.5362 -1.5362 -1.4935 -1.4935 -1.4648 -1.4648 -1.4396 -1.4396 3.0344 3.0344 3.0409 3.0409 4.7064 4.7064 4.7500 4.7500 4.9853 4.9853 5.0172 5.0172 8.9200 8.9200 8.9411 8.9411 11.2562 11.2562 11.2800 11.2800 k = 0.0654 0.1132 0.3081 ( 2864 PWs) bands (ev): -6.5426 -6.5426 -6.5421 -6.5421 -2.3650 -2.3650 -2.3618 -2.3618 -2.2563 -2.2563 -2.1808 -2.1808 -1.7868 -1.7868 -1.7714 -1.7714 -1.5339 -1.5339 -1.4938 -1.4938 -1.4670 -1.4670 -1.4456 -1.4456 3.0499 3.0499 3.0559 3.0559 4.7663 4.7663 4.8082 4.8082 5.0158 5.0158 5.0450 5.0450 8.8475 8.8475 8.8676 8.8676 11.3125 11.3125 11.3339 11.3339 k = 0.0588 0.1019 0.3081 ( 2862 PWs) bands (ev): -6.5488 -6.5488 -6.5483 -6.5483 -2.3683 -2.3683 -2.3660 -2.3660 -2.2553 -2.2553 -2.1868 -2.1868 -1.7906 -1.7906 -1.7757 -1.7757 -1.5314 -1.5314 -1.4941 -1.4941 -1.4690 -1.4690 -1.4512 -1.4512 3.0628 3.0628 3.0683 3.0683 4.8260 4.8260 4.8658 4.8658 5.0436 5.0436 5.0702 5.0702 8.7772 8.7772 8.7962 8.7962 11.3697 11.3697 11.3887 11.3887 k = 0.0523 0.0906 0.3081 ( 2862 PWs) bands (ev): -6.5543 -6.5543 -6.5539 -6.5539 -2.3714 -2.3714 -2.3697 -2.3697 -2.2540 -2.2540 -2.1925 -2.1925 -1.7939 -1.7939 -1.7798 -1.7798 -1.5287 -1.5287 -1.4942 -1.4942 -1.4708 -1.4708 -1.4565 -1.4565 3.0733 3.0733 3.0783 3.0783 4.8842 4.8842 4.9215 4.9215 5.0689 5.0689 5.0926 5.0926 8.7102 8.7102 8.7280 8.7280 11.4270 11.4270 11.4434 11.4434 k = 0.0458 0.0792 0.3081 ( 2862 PWs) bands (ev): -6.5593 -6.5593 -6.5590 -6.5590 -2.3742 -2.3742 -2.3731 -2.3731 -2.2522 -2.2522 -2.1981 -2.1981 -1.7967 -1.7967 -1.7837 -1.7837 -1.5259 -1.5259 -1.4944 -1.4944 -1.4725 -1.4725 -1.4615 -1.4615 3.0819 3.0819 3.0863 3.0863 4.9398 4.9398 4.9740 4.9740 5.0915 5.0915 5.1124 5.1124 8.6476 8.6476 8.6639 8.6639 11.4834 11.4834 11.4970 11.4970 k = 0.0392 0.0679 0.3081 ( 2858 PWs) bands (ev): -6.5637 -6.5637 -6.5634 -6.5634 -2.3767 -2.3767 -2.3760 -2.3760 -2.2501 -2.2501 -2.2035 -2.2035 -1.7989 -1.7989 -1.7872 -1.7872 -1.5229 -1.5229 -1.4946 -1.4946 -1.4740 -1.4740 -1.4661 -1.4661 3.0888 3.0888 3.0926 3.0926 4.9915 4.9915 5.0221 5.0221 5.1117 5.1117 5.1297 5.1297 8.5904 8.5904 8.6051 8.6051 11.5375 11.5375 11.5484 11.5484 k = 0.0327 0.0566 0.3081 ( 2858 PWs) bands (ev): -6.5674 -6.5674 -6.5672 -6.5672 -2.3789 -2.3789 -2.3784 -2.3784 -2.2476 -2.2476 -2.2086 -2.2086 -1.8006 -1.8006 -1.7905 -1.7905 -1.5199 -1.5199 -1.4949 -1.4949 -1.4754 -1.4754 -1.4702 -1.4702 3.0942 3.0942 3.0974 3.0974 5.0378 5.0378 5.0643 5.0643 5.1297 5.1297 5.1444 5.1444 8.5398 8.5398 8.5526 8.5526 11.5880 11.5880 11.5963 11.5963 k = 0.0261 0.0453 0.3081 ( 2858 PWs) bands (ev): -6.5705 -6.5705 -6.5703 -6.5703 -2.3807 -2.3807 -2.3805 -2.3805 -2.2449 -2.2449 -2.2136 -2.2136 -1.8017 -1.8017 -1.7934 -1.7934 -1.5167 -1.5167 -1.4956 -1.4956 -1.4766 -1.4766 -1.4736 -1.4736 3.0985 3.0985 3.1011 3.1011 5.0774 5.0774 5.0990 5.0990 5.1460 5.1460 5.1570 5.1570 8.4968 8.4968 8.5075 8.5075 11.6333 11.6333 11.6393 11.6393 k = 0.0196 0.0340 0.3081 ( 2846 PWs) bands (ev): -6.5729 -6.5729 -6.5727 -6.5727 -2.3821 -2.3821 -2.3820 -2.3820 -2.2418 -2.2418 -2.2183 -2.2183 -1.8023 -1.8023 -1.7959 -1.7959 -1.5134 -1.5134 -1.4968 -1.4968 -1.4777 -1.4777 -1.4763 -1.4763 3.1017 3.1017 3.1036 3.1036 5.1089 5.1089 5.1243 5.1243 5.1611 5.1611 5.1678 5.1678 8.4626 8.4626 8.4709 8.4709 11.6715 11.6715 11.6757 11.6757 k = 0.0131 0.0226 0.3081 ( 2842 PWs) bands (ev): -6.5746 -6.5746 -6.5745 -6.5745 -2.3832 -2.3832 -2.3832 -2.3832 -2.2385 -2.2385 -2.2228 -2.2228 -1.8024 -1.8024 -1.7981 -1.7981 -1.5101 -1.5101 -1.4985 -1.4985 -1.4785 -1.4785 -1.4781 -1.4781 3.1039 3.1039 3.1052 3.1052 5.1311 5.1311 5.1401 5.1401 5.1745 5.1745 5.1770 5.1770 8.4379 8.4379 8.4436 8.4436 11.7009 11.7009 11.7036 11.7036 k = 0.0065 0.0113 0.3081 ( 2842 PWs) bands (ev): -6.5756 -6.5756 -6.5756 -6.5756 -2.3838 -2.3838 -2.3838 -2.3838 -2.2350 -2.2350 -2.2271 -2.2271 -1.8020 -1.8020 -1.7998 -1.7998 -1.5069 -1.5069 -1.5009 -1.5009 -1.4791 -1.4791 -1.4791 -1.4791 3.1054 3.1054 3.1061 3.1061 5.1440 5.1440 5.1479 5.1479 5.1837 5.1837 5.1841 5.1841 8.4234 8.4234 8.4263 8.4263 11.7196 11.7196 11.7210 11.7210 k = 0.0000 0.0000 0.3081 ( 2834 PWs) bands (ev): -6.5759 -6.5759 -6.5759 -6.5759 -2.3840 -2.3840 -2.3840 -2.3840 -2.2311 -2.2311 -2.2311 -2.2311 -1.8011 -1.8011 -1.8011 -1.8011 -1.5037 -1.5037 -1.5037 -1.5037 -1.4793 -1.4793 -1.4793 -1.4793 3.1061 3.1061 3.1061 3.1061 5.1491 5.1491 5.1491 5.1491 5.1869 5.1869 5.1869 5.1869 8.4195 8.4195 8.4195 8.4195 11.7265 11.7265 11.7265 11.7265 k = 0.5000 0.2887 0.3081 ( 2884 PWs) bands (ev): -6.2992 -6.2992 -6.2992 -6.2992 -2.2958 -2.2958 -2.2958 -2.2958 -2.0021 -2.0021 -2.0021 -2.0021 -1.6692 -1.6692 -1.6692 -1.6692 -1.4548 -1.4548 -1.4548 -1.4548 -1.1106 -1.1106 -1.1106 -1.1106 1.4221 1.4221 1.4221 1.4221 4.1985 4.1985 4.1985 4.1985 4.2458 4.2458 4.2458 4.2458 9.0541 9.0541 9.0541 9.0541 10.9311 10.9311 10.9311 10.9311 k = 0.5000 0.2887 0.2952 ( 2880 PWs) bands (ev): -6.3037 -6.3037 -6.2949 -6.2949 -2.3007 -2.3007 -2.2908 -2.2908 -2.0090 -2.0090 -1.9951 -1.9951 -1.6736 -1.6736 -1.6646 -1.6646 -1.4590 -1.4590 -1.4507 -1.4507 -1.1161 -1.1161 -1.1048 -1.1048 1.4020 1.4020 1.4444 1.4444 4.1588 4.1588 4.1932 4.1932 4.2379 4.2379 4.2940 4.2940 9.0065 9.0065 9.1046 9.1046 10.9022 10.9022 10.9643 10.9643 k = 0.5000 0.2887 0.2824 ( 2874 PWs) bands (ev): -6.3083 -6.3083 -6.2906 -6.2906 -2.3053 -2.3053 -2.2856 -2.2856 -2.0158 -2.0158 -1.9880 -1.9880 -1.6779 -1.6779 -1.6599 -1.6599 -1.4632 -1.4632 -1.4467 -1.4467 -1.1216 -1.1216 -1.0990 -1.0990 1.3840 1.3840 1.4685 1.4685 4.1125 4.1125 4.1449 4.1449 4.2747 4.2747 4.3381 4.3381 8.9632 8.9632 9.1565 9.1565 10.8791 10.8791 11.0003 11.0003 k = 0.5000 0.2887 0.2696 ( 2876 PWs) bands (ev): -6.3129 -6.3129 -6.2865 -6.2865 -2.3098 -2.3098 -2.2803 -2.2803 -2.0224 -2.0224 -1.9808 -1.9808 -1.6820 -1.6820 -1.6552 -1.6552 -1.4675 -1.4675 -1.4429 -1.4429 -1.1269 -1.1269 -1.0932 -1.0932 1.3682 1.3682 1.4945 1.4945 4.0558 4.0558 4.1033 4.1033 4.3115 4.3115 4.3771 4.3771 8.9250 8.9250 9.2084 9.2084 10.8633 10.8633 11.0372 11.0372 k = 0.5000 0.2887 0.2567 ( 2880 PWs) bands (ev): -6.3175 -6.3175 -6.2825 -6.2825 -2.3141 -2.3141 -2.2750 -2.2750 -2.0288 -2.0288 -1.9736 -1.9736 -1.6859 -1.6859 -1.6503 -1.6503 -1.4717 -1.4717 -1.4392 -1.4392 -1.1320 -1.1320 -1.0873 -1.0873 1.3548 1.3548 1.5221 1.5221 3.9921 3.9921 4.0662 4.0662 4.3477 4.3477 4.4105 4.4105 8.8929 8.8929 9.2586 9.2586 10.8563 10.8563 11.0734 11.0734 k = 0.5000 0.2887 0.2439 ( 2878 PWs) bands (ev): -6.3221 -6.3221 -6.2786 -6.2786 -2.3182 -2.3182 -2.2695 -2.2695 -2.0351 -2.0351 -1.9663 -1.9663 -1.6896 -1.6896 -1.6454 -1.6454 -1.4758 -1.4758 -1.4358 -1.4358 -1.1370 -1.1370 -1.0815 -1.0815 1.3437 1.3437 1.5513 1.5513 3.9245 3.9245 4.0311 4.0311 4.3831 4.3831 4.4381 4.4381 8.8677 8.8677 9.3056 9.3056 10.8595 10.8595 11.1072 11.1072 k = 0.5000 0.2887 0.2310 ( 2882 PWs) bands (ev): -6.3267 -6.3267 -6.2749 -6.2749 -2.3221 -2.3221 -2.2639 -2.2639 -2.0411 -2.0411 -1.9591 -1.9591 -1.6931 -1.6931 -1.6405 -1.6405 -1.4799 -1.4799 -1.4326 -1.4326 -1.1417 -1.1417 -1.0757 -1.0757 1.3350 1.3350 1.5817 1.5817 3.8543 3.8543 3.9975 3.9975 4.4168 4.4168 4.4606 4.4606 8.8497 8.8497 9.3478 9.3478 10.8738 10.8738 11.1366 11.1366 k = 0.5000 0.2887 0.2182 ( 2878 PWs) bands (ev): -6.3312 -6.3312 -6.2715 -6.2715 -2.3257 -2.3257 -2.2583 -2.2583 -2.0470 -2.0470 -1.9519 -1.9519 -1.6963 -1.6963 -1.6356 -1.6356 -1.4839 -1.4839 -1.4296 -1.4296 -1.1461 -1.1461 -1.0700 -1.0700 1.3288 1.3288 1.6133 1.6133 3.7825 3.7825 3.9652 3.9652 4.4465 4.4465 4.4801 4.4801 8.8393 8.8393 9.3842 9.3842 10.9000 10.9000 11.1598 11.1598 k = 0.5000 0.2887 0.2054 ( 2876 PWs) bands (ev): -6.3357 -6.3357 -6.2681 -6.2681 -2.3292 -2.3292 -2.2527 -2.2527 -2.0527 -2.0527 -1.9448 -1.9448 -1.6993 -1.6993 -1.6307 -1.6307 -1.4877 -1.4877 -1.4270 -1.4270 -1.1504 -1.1504 -1.0644 -1.0644 1.3250 1.3250 1.6459 1.6459 3.7096 3.7096 3.9342 3.9342 4.4661 4.4661 4.5027 4.5027 8.8366 8.8366 9.4142 9.4142 10.9382 10.9382 11.1751 11.1751 k = 0.5000 0.2887 0.1925 ( 2876 PWs) bands (ev): -6.3401 -6.3401 -6.2650 -6.2650 -2.3324 -2.3324 -2.2471 -2.2471 -2.0581 -2.0581 -1.9379 -1.9379 -1.7020 -1.7020 -1.6259 -1.6259 -1.4914 -1.4914 -1.4246 -1.4246 -1.1543 -1.1543 -1.0589 -1.0589 1.3235 1.3235 1.6791 1.6791 3.6364 3.6364 3.9045 3.9045 4.4732 4.4732 4.5310 4.5310 8.8415 8.8415 9.4374 9.4374 10.9880 10.9880 11.1813 11.1813 k = 0.5000 0.2887 0.1797 ( 2876 PWs) bands (ev): -6.3443 -6.3443 -6.2621 -6.2621 -2.3354 -2.3354 -2.2415 -2.2415 -2.0634 -2.0634 -1.9312 -1.9312 -1.7045 -1.7045 -1.6211 -1.6211 -1.4950 -1.4950 -1.4226 -1.4226 -1.1580 -1.1580 -1.0536 -1.0536 1.3244 1.3244 1.7128 1.7128 3.5634 3.5634 3.8762 3.8762 4.4720 4.4720 4.5610 4.5610 8.8538 8.8538 9.4541 9.4541 11.0482 11.0482 11.1775 11.1775 k = 0.5000 0.2887 0.1669 ( 2876 PWs) bands (ev): -6.3484 -6.3484 -6.2594 -6.2594 -2.3382 -2.3382 -2.2360 -2.2360 -2.0684 -2.0684 -1.9248 -1.9248 -1.7067 -1.7067 -1.6164 -1.6164 -1.4983 -1.4983 -1.4209 -1.4209 -1.1614 -1.1614 -1.0486 -1.0486 1.3274 1.3274 1.7466 1.7466 3.4912 3.4912 3.8495 3.8495 4.4650 4.4650 4.5907 4.5907 8.8729 8.8729 9.4651 9.4651 11.1165 11.1165 11.1647 11.1647 k = 0.5000 0.2887 0.1540 ( 2874 PWs) bands (ev): -6.3523 -6.3523 -6.2569 -6.2569 -2.3408 -2.3408 -2.2307 -2.2307 -2.0732 -2.0732 -1.9186 -1.9186 -1.7086 -1.7086 -1.6118 -1.6118 -1.5015 -1.5015 -1.4196 -1.4196 -1.1646 -1.1646 -1.0438 -1.0438 1.3326 1.3326 1.7803 1.7803 3.4204 3.4204 3.8244 3.8244 4.4534 4.4534 4.6193 4.6193 8.8985 8.8985 9.4712 9.4712 11.1359 11.1359 11.1986 11.1986 k = 0.5000 0.2887 0.1412 ( 2870 PWs) bands (ev): -6.3560 -6.3560 -6.2546 -6.2546 -2.3432 -2.3432 -2.2254 -2.2254 -2.0778 -2.0778 -1.9127 -1.9127 -1.7102 -1.7102 -1.6073 -1.6073 -1.5045 -1.5045 -1.4186 -1.4186 -1.1674 -1.1674 -1.0393 -1.0393 1.3395 1.3395 1.8135 1.8135 3.3516 3.3516 3.8010 3.8010 4.4381 4.4381 4.6464 4.6464 8.9296 8.9296 9.4734 9.4734 11.1037 11.1037 11.2807 11.2807 k = 0.5000 0.2887 0.1284 ( 2874 PWs) bands (ev): -6.3595 -6.3595 -6.2525 -6.2525 -2.3453 -2.3453 -2.2204 -2.2204 -2.0821 -2.0821 -1.9073 -1.9073 -1.7116 -1.7116 -1.6031 -1.6031 -1.5073 -1.5073 -1.4179 -1.4179 -1.1699 -1.1699 -1.0351 -1.0351 1.3481 1.3481 1.8459 1.8459 3.2855 3.2855 3.7793 3.7793 4.4201 4.4201 4.6718 4.6718 8.9655 8.9655 9.4726 9.4726 11.0630 11.0630 11.3677 11.3677 k = 0.5000 0.2887 0.1155 ( 2872 PWs) bands (ev): -6.3627 -6.3627 -6.2507 -6.2507 -2.3473 -2.3473 -2.2155 -2.2155 -2.0862 -2.0862 -1.9023 -1.9023 -1.7127 -1.7127 -1.5990 -1.5990 -1.5099 -1.5099 -1.4175 -1.4175 -1.1722 -1.1722 -1.0312 -1.0312 1.3579 1.3579 1.8771 1.8771 3.2225 3.2225 3.7595 3.7595 4.4002 4.4002 4.6953 4.6953 9.0052 9.0052 9.4696 9.4696 11.0163 11.0163 11.4566 11.4566 k = 0.5000 0.2887 0.1027 ( 2860 PWs) bands (ev): -6.3656 -6.3656 -6.2490 -6.2490 -2.3490 -2.3490 -2.2109 -2.2109 -2.0900 -2.0900 -1.8977 -1.8977 -1.7136 -1.7136 -1.5951 -1.5951 -1.5122 -1.5122 -1.4173 -1.4173 -1.1741 -1.1741 -1.0277 -1.0277 1.3687 1.3687 1.9067 1.9067 3.1635 3.1635 3.7416 3.7416 4.3793 4.3793 4.7168 4.7168 9.0475 9.0475 9.4653 9.4653 10.9655 10.9655 11.5454 11.5454 k = 0.5000 0.2887 0.0899 ( 2860 PWs) bands (ev): -6.3682 -6.3682 -6.2475 -6.2475 -2.3505 -2.3505 -2.2067 -2.2067 -2.0935 -2.0935 -1.8936 -1.8936 -1.7143 -1.7143 -1.5916 -1.5916 -1.5143 -1.5143 -1.4173 -1.4173 -1.1758 -1.1758 -1.0246 -1.0246 1.3800 1.3800 1.9341 1.9341 3.1091 3.1091 3.7256 3.7256 4.3583 4.3583 4.7361 4.7361 9.0912 9.0912 9.4603 9.4603 10.9128 10.9128 11.6319 11.6319 k = 0.5000 0.2887 0.0770 ( 2858 PWs) bands (ev): -6.3705 -6.3705 -6.2462 -6.2462 -2.3519 -2.3519 -2.2028 -2.2028 -2.0966 -2.0966 -1.8901 -1.8901 -1.7148 -1.7148 -1.5883 -1.5883 -1.5162 -1.5162 -1.4175 -1.4175 -1.1772 -1.1772 -1.0219 -1.0219 1.3913 1.3913 1.9591 1.9591 3.0599 3.0599 3.7116 3.7116 4.3380 4.3380 4.7531 4.7531 9.1347 9.1347 9.4550 9.4550 10.8602 10.8602 11.7139 11.7139 k = 0.5000 0.2887 0.0642 ( 2864 PWs) bands (ev): -6.3725 -6.3725 -6.2452 -6.2452 -2.3530 -2.3530 -2.1994 -2.1994 -2.0995 -2.0995 -1.8871 -1.8871 -1.7152 -1.7152 -1.5854 -1.5854 -1.5179 -1.5179 -1.4178 -1.4178 -1.1784 -1.1784 -1.0195 -1.0195 1.4022 1.4022 1.9812 1.9812 3.0167 3.0167 3.6997 3.6997 4.3193 4.3193 4.7677 4.7677 9.1764 9.1764 9.4500 9.4500 10.8100 10.8100 11.7892 11.7892 k = 0.5000 0.2887 0.0513 ( 2872 PWs) bands (ev): -6.3742 -6.3742 -6.2443 -6.2443 -2.3539 -2.3539 -2.1965 -2.1965 -2.1019 -2.1019 -1.8846 -1.8846 -1.7155 -1.7155 -1.5830 -1.5830 -1.5193 -1.5193 -1.4181 -1.4181 -1.1794 -1.1794 -1.0176 -1.0176 1.4120 1.4120 1.9999 1.9999 2.9802 2.9802 3.6899 3.6899 4.3028 4.3028 4.7798 4.7798 9.2144 9.2144 9.4456 9.4456 10.7644 10.7644 11.8553 11.8553 k = 0.5000 0.2887 0.0385 ( 2876 PWs) bands (ev): -6.3755 -6.3755 -6.2436 -6.2436 -2.3546 -2.3546 -2.1941 -2.1941 -2.1039 -2.1039 -1.8827 -1.8827 -1.7157 -1.7157 -1.5810 -1.5810 -1.5204 -1.5204 -1.4185 -1.4185 -1.1801 -1.1801 -1.0161 -1.0161 1.4203 1.4203 2.0149 2.0149 2.9510 2.9510 3.6823 3.6823 4.2893 4.2893 4.7892 4.7892 9.2468 9.2468 9.4420 9.4420 10.7257 10.7257 11.9100 11.9100 k = 0.5000 0.2887 0.0257 ( 2870 PWs) bands (ev): -6.3764 -6.3764 -6.2431 -6.2431 -2.3551 -2.3551 -2.1923 -2.1923 -2.1053 -2.1053 -1.8813 -1.8813 -1.7158 -1.7158 -1.5795 -1.5795 -1.5212 -1.5212 -1.4187 -1.4187 -1.1806 -1.1806 -1.0151 -1.0151 1.4267 1.4267 2.0259 2.0259 2.9297 2.9297 3.6768 3.6768 4.2792 4.2792 4.7960 4.7960 9.2717 9.2717 9.4394 9.4394 10.6961 10.6961 11.9509 11.9509 k = 0.5000 0.2887 0.0128 ( 2882 PWs) bands (ev): -6.3770 -6.3770 -6.2429 -6.2429 -2.3554 -2.3554 -2.1913 -2.1913 -2.1062 -2.1062 -1.8805 -1.8805 -1.7158 -1.7158 -1.5787 -1.5787 -1.5217 -1.5217 -1.4189 -1.4189 -1.1809 -1.1809 -1.0145 -1.0145 1.4306 1.4306 2.0326 2.0326 2.9167 2.9167 3.6735 3.6735 4.2730 4.2730 4.8001 4.8001 9.2873 9.2873 9.4379 9.4379 10.6775 10.6775 11.9763 11.9763 k = 0.5000 0.2887-0.0000 ( 2886 PWs) bands (ev): -6.3772 -6.3772 -6.2428 -6.2428 -2.3555 -2.3555 -2.1909 -2.1909 -2.1065 -2.1065 -1.8802 -1.8802 -1.7158 -1.7158 -1.5784 -1.5784 -1.5219 -1.5219 -1.4190 -1.4190 -1.1810 -1.1810 -1.0142 -1.0142 1.4320 1.4320 2.0349 2.0349 2.9123 2.9123 3.6724 3.6724 4.2710 4.2710 4.8015 4.8015 9.2927 9.2927 9.4374 9.4374 10.6711 10.6711 11.9849 11.9849 k = 0.3333 0.5774-0.0000 ( 2874 PWs) bands (ev): -6.2799 -6.2799 -6.2790 -6.2752 -2.3309 -2.3309 -2.1711 -2.1638 -2.1638 -2.0657 -1.8723 -1.8723 -1.6948 -1.6948 -1.5791 -1.5073 -1.4981 -1.4981 -1.4255 -1.4255 -1.0880 -1.0880 -1.0201 -0.8809 1.8451 1.8769 1.8842 1.8842 2.4500 2.4500 3.6597 3.7171 3.7171 3.7501 3.9121 3.9121 10.2250 10.2250 10.6510 10.6853 10.6972 10.6972 12.7344 12.7344 k = 0.3333 0.5774 0.0128 ( 2871 PWs) bands (ev): -6.2799 -6.2799 -6.2789 -6.2752 -2.3308 -2.3308 -2.1711 -2.1639 -2.1639 -2.0659 -1.8728 -1.8728 -1.6945 -1.6945 -1.5792 -1.5075 -1.4981 -1.4981 -1.4255 -1.4255 -1.0881 -1.0881 -1.0198 -0.8810 1.8432 1.8750 1.8823 1.8823 2.4513 2.4513 3.6632 3.7205 3.7205 3.7534 3.9103 3.9103 10.2283 10.2283 10.6488 10.6829 10.6950 10.6950 12.7331 12.7331 k = 0.3333 0.5774 0.0257 ( 2865 PWs) bands (ev): -6.2797 -6.2797 -6.2788 -6.2750 -2.3304 -2.3304 -2.1710 -2.1640 -2.1640 -2.0664 -1.8741 -1.8741 -1.6935 -1.6935 -1.5792 -1.5083 -1.4983 -1.4983 -1.4256 -1.4256 -1.0882 -1.0882 -1.0189 -0.8811 1.8378 1.8694 1.8768 1.8768 2.4554 2.4554 3.6735 3.7304 3.7304 3.7633 3.9048 3.9048 10.2381 10.2381 10.6420 10.6758 10.6882 10.6882 12.7290 12.7290 k = 0.3333 0.5774 0.0385 ( 2877 PWs) bands (ev): -6.2795 -6.2795 -6.2785 -6.2748 -2.3299 -2.3299 -2.1709 -2.1643 -2.1643 -2.0674 -1.8763 -1.8763 -1.6920 -1.6920 -1.5794 -1.5097 -1.4987 -1.4987 -1.4258 -1.4258 -1.0884 -1.0884 -1.0173 -0.8813 1.8289 1.8603 1.8678 1.8678 2.4622 2.4622 3.6905 3.7465 3.7465 3.7795 3.8957 3.8957 10.2544 10.2544 10.6306 10.6638 10.6769 10.6769 12.7220 12.7220 k = 0.3333 0.5774 0.0513 ( 2877 PWs) bands (ev): -6.2791 -6.2791 -6.2782 -6.2745 -2.3291 -2.3291 -2.1708 -2.1647 -2.1647 -2.0686 -1.8792 -1.8792 -1.6900 -1.6900 -1.5796 -1.5115 -1.4991 -1.4991 -1.4261 -1.4261 -1.0887 -1.0887 -1.0151 -0.8816 1.8170 1.8479 1.8556 1.8556 2.4717 2.4717 3.7137 3.7681 3.7681 3.8017 3.8834 3.8834 10.2772 10.2772 10.6147 10.6471 10.6611 10.6611 12.7119 12.7119 k = 0.3333 0.5774 0.0642 ( 2877 PWs) bands (ev): -6.2787 -6.2787 -6.2777 -6.2741 -2.3281 -2.3281 -2.1706 -2.1652 -2.1652 -2.0703 -1.8827 -1.8827 -1.6874 -1.6874 -1.5798 -1.5137 -1.4997 -1.4997 -1.4264 -1.4264 -1.0891 -1.0891 -1.0124 -0.8819 1.8023 1.8327 1.8407 1.8407 2.4839 2.4839 3.7426 3.7939 3.7939 3.8292 3.8689 3.8689 10.3061 10.3061 10.5942 10.6255 10.6407 10.6407 12.6979 12.6979 k = 0.3333 0.5774 0.0770 ( 2871 PWs) bands (ev): -6.2783 -6.2783 -6.2772 -6.2737 -2.3269 -2.3269 -2.1703 -2.1658 -2.1658 -2.0722 -1.8868 -1.8868 -1.6846 -1.6846 -1.5800 -1.5163 -1.5004 -1.5004 -1.4268 -1.4268 -1.0895 -1.0895 -1.0092 -0.8824 1.7854 1.8151 1.8234 1.8234 2.4987 2.4987 3.7766 3.8167 3.8167 3.8588 3.8588 3.8615 10.3411 10.3411 10.5694 10.5991 10.6160 10.6160 12.6502 12.6770 k = 0.3333 0.5774 0.0899 ( 2877 PWs) bands (ev): -6.2777 -6.2777 -6.2766 -6.2732 -2.3256 -2.3256 -2.1699 -2.1664 -2.1664 -2.0745 -1.8913 -1.8913 -1.6815 -1.6815 -1.5803 -1.5193 -1.5012 -1.5012 -1.4272 -1.4272 -1.0900 -1.0900 -1.0055 -0.8830 1.7667 1.7956 1.8043 1.8043 2.5160 2.5160 3.8118 3.8118 3.8150 3.8774 3.8774 3.8980 10.3819 10.3819 10.5402 10.5681 10.5869 10.5869 12.5739 12.6206 k = 0.3333 0.5774 0.1027 ( 2871 PWs) bands (ev): -6.2771 -6.2771 -6.2759 -6.2726 -2.3241 -2.3241 -2.1694 -2.1672 -2.1672 -2.0771 -1.8961 -1.8961 -1.6782 -1.6782 -1.5806 -1.5226 -1.5020 -1.5020 -1.4277 -1.4277 -1.0905 -1.0905 -1.0014 -0.8837 1.7467 1.7747 1.7839 1.7839 2.5359 2.5359 3.7890 3.7890 3.8571 3.9144 3.9144 3.9378 10.4281 10.4281 10.5068 10.5326 10.5541 10.5541 12.5008 12.5555 k = 0.3333 0.5774 0.1155 ( 2871 PWs) bands (ev): -6.2764 -6.2764 -6.2752 -6.2720 -2.3224 -2.3224 -2.1689 -2.1681 -2.1681 -2.0800 -1.9011 -1.9011 -1.6748 -1.6748 -1.5809 -1.5261 -1.5030 -1.5030 -1.4282 -1.4282 -1.0911 -1.0911 -0.9969 -0.8845 1.7259 1.7528 1.7625 1.7625 2.5582 2.5582 3.7607 3.7607 3.9021 3.9567 3.9567 3.9803 10.4697 10.4766 10.4766 10.4930 10.5203 10.5203 12.4321 12.4922 k = 0.3333 0.5774 0.1284 ( 2871 PWs) bands (ev): -6.2757 -6.2757 -6.2744 -6.2714 -2.3206 -2.3206 -2.1691 -2.1691 -2.1682 -2.0832 -1.9063 -1.9063 -1.6714 -1.6714 -1.5811 -1.5298 -1.5040 -1.5040 -1.4287 -1.4287 -1.0917 -1.0917 -0.9922 -0.8855 1.7047 1.7304 1.7407 1.7407 2.5829 2.5829 3.7290 3.7290 3.9493 4.0016 4.0016 4.0246 10.4292 10.4498 10.4712 10.4712 10.5422 10.5422 12.3687 12.4319 k = 0.3333 0.5774 0.1412 ( 2874 PWs) bands (ev): -6.2750 -6.2750 -6.2736 -6.2708 -2.3187 -2.3187 -2.1701 -2.1701 -2.1674 -2.0866 -1.9114 -1.9114 -1.6681 -1.6681 -1.5814 -1.5336 -1.5051 -1.5051 -1.4293 -1.4293 -1.0922 -1.0922 -0.9872 -0.8866 1.6835 1.7079 1.7188 1.7188 2.6098 2.6098 3.6946 3.6946 3.9980 4.0480 4.0480 4.0700 10.3858 10.4036 10.4293 10.4293 10.6025 10.6025 12.3112 12.3755 k = 0.3333 0.5774 0.1540 ( 2874 PWs) bands (ev): -6.2743 -6.2743 -6.2728 -6.2701 -2.3168 -2.3168 -2.1712 -2.1712 -2.1664 -2.0902 -1.9165 -1.9165 -1.6649 -1.6649 -1.5816 -1.5374 -1.5063 -1.5063 -1.4298 -1.4298 -1.0928 -1.0928 -0.9819 -0.8879 1.6628 1.6857 1.6973 1.6973 2.6389 2.6389 3.6579 3.6579 4.0473 4.0951 4.0951 4.1158 10.3403 10.3551 10.3839 10.3839 10.6687 10.6687 12.2598 12.3246 k = 0.3333 0.5774 0.1669 ( 2868 PWs) bands (ev): -6.2735 -6.2735 -6.2720 -6.2695 -2.3147 -2.3147 -2.1723 -2.1723 -2.1652 -2.0940 -1.9214 -1.9214 -1.6618 -1.6618 -1.5817 -1.5413 -1.5074 -1.5074 -1.4303 -1.4303 -1.0934 -1.0934 -0.9766 -0.8894 1.6427 1.6640 1.6765 1.6765 2.6702 2.6702 3.6190 3.6190 4.0966 4.1419 4.1419 4.1612 10.2935 10.3054 10.3369 10.3369 10.7394 10.7394 12.2144 12.2765 k = 0.3333 0.5774 0.1797 ( 2862 PWs) bands (ev): -6.2728 -6.2728 -6.2712 -6.2688 -2.3127 -2.3127 -2.1735 -2.1735 -2.1639 -2.0979 -1.9260 -1.9260 -1.6589 -1.6589 -1.5817 -1.5451 -1.5085 -1.5085 -1.4308 -1.4308 -1.0939 -1.0939 -0.9711 -0.8911 1.6236 1.6433 1.6565 1.6566 2.7034 2.7034 3.5783 3.5783 4.1451 4.1879 4.1879 4.2054 10.2462 10.2553 10.2893 10.2893 10.8140 10.8140 12.1749 12.2335 k = 0.3333 0.5774 0.1925 ( 2874 PWs) bands (ev): -6.2721 -6.2721 -6.2704 -6.2682 -2.3108 -2.3108 -2.1747 -2.1747 -2.1624 -2.1020 -1.9305 -1.9305 -1.6562 -1.6562 -1.5817 -1.5489 -1.5097 -1.5097 -1.4313 -1.4313 -1.0944 -1.0944 -0.9657 -0.8930 1.6058 1.6238 1.6379 1.6379 2.7385 2.7385 3.5361 3.5361 4.1920 4.2321 4.2321 4.2477 10.1993 10.2059 10.2422 10.2422 10.8920 10.8920 12.1409 12.1955 k = 0.3333 0.5774 0.2054 ( 2874 PWs) bands (ev): -6.2714 -6.2714 -6.2696 -6.2677 -2.3088 -2.3088 -2.1759 -2.1759 -2.1606 -2.1062 -1.9346 -1.9346 -1.6537 -1.6537 -1.5816 -1.5525 -1.5107 -1.5107 -1.4318 -1.4318 -1.0949 -1.0949 -0.9602 -0.8951 1.5895 1.6056 1.6206 1.6206 2.7753 2.7753 3.4925 3.4925 4.2367 4.2740 4.2740 4.2874 10.1539 10.1583 10.1966 10.1966 10.9732 10.9732 12.1122 12.1621 k = 0.3333 0.5774 0.2182 ( 2880 PWs) bands (ev): -6.2708 -6.2708 -6.2689 -6.2672 -2.3070 -2.3070 -2.1771 -2.1771 -2.1587 -2.1104 -1.9383 -1.9383 -1.6516 -1.6516 -1.5813 -1.5559 -1.5117 -1.5117 -1.4322 -1.4322 -1.0953 -1.0953 -0.9548 -0.8974 1.5748 1.5890 1.6050 1.6050 2.8138 2.8138 3.4477 3.4477 4.2785 4.3128 4.3128 4.3238 10.1109 10.1135 10.1536 10.1536 11.0569 11.0569 12.0884 12.1329 k = 0.3333 0.5774 0.2310 ( 2880 PWs) bands (ev): -6.2703 -6.2703 -6.2682 -6.2667 -2.3053 -2.3053 -2.1782 -2.1782 -2.1565 -2.1146 -1.9416 -1.9416 -1.6496 -1.6496 -1.5808 -1.5592 -1.5127 -1.5127 -1.4325 -1.4325 -1.0957 -1.0957 -0.9494 -0.9000 1.5619 1.5742 1.5911 1.5911 2.8538 2.8538 3.4022 3.4022 4.3168 4.3479 4.3479 4.3564 10.0714 10.0726 10.1140 10.1140 11.1429 11.1429 12.0690 12.1078 k = 0.3333 0.5774 0.2439 ( 2892 PWs) bands (ev): -6.2698 -6.2698 -6.2676 -6.2664 -2.3039 -2.3039 -2.1792 -2.1792 -2.1541 -2.1189 -1.9444 -1.9444 -1.6480 -1.6480 -1.5803 -1.5623 -1.5135 -1.5135 -1.4329 -1.4329 -1.0960 -1.0960 -0.9442 -0.9028 1.5510 1.5613 1.5792 1.5792 2.8951 2.8951 3.3560 3.3560 4.3509 4.3787 4.3787 4.3844 10.0361 10.0363 10.0788 10.0788 11.2306 11.2306 12.0538 12.0742 k = 0.3333 0.5774 0.2567 ( 2883 PWs) bands (ev): -6.2694 -6.2694 -6.2671 -6.2661 -2.3026 -2.3026 -2.1800 -2.1800 -2.1514 -2.1230 -1.9467 -1.9467 -1.6467 -1.6467 -1.5795 -1.5652 -1.5141 -1.5141 -1.4331 -1.4331 -1.0963 -1.0963 -0.9391 -0.9059 1.5421 1.5504 1.5693 1.5693 2.9375 2.9375 3.3094 3.3094 4.3803 4.4047 4.4047 4.4075 10.0056 10.0059 10.0489 10.0489 11.3194 11.3194 12.0130 12.0130 k = 0.3333 0.5774 0.2696 ( 2892 PWs) bands (ev): -6.2690 -6.2690 -6.2666 -6.2659 -2.3015 -2.3015 -2.1807 -2.1807 -2.1486 -2.1271 -1.9486 -1.9486 -1.6456 -1.6456 -1.5785 -1.5678 -1.5147 -1.5147 -1.4334 -1.4334 -1.0965 -1.0965 -0.9342 -0.9092 1.5353 1.5416 1.5615 1.5615 2.9809 2.9809 3.2628 3.2628 4.4045 4.4251 4.4254 4.4254 9.9810 9.9816 10.0248 10.0248 11.4088 11.4088 11.9376 11.9376 k = 0.3333 0.5774 0.2824 ( 2892 PWs) bands (ev): -6.2688 -6.2688 -6.2663 -6.2658 -2.3008 -2.3008 -2.1812 -2.1812 -2.1455 -2.1311 -1.9499 -1.9499 -1.6449 -1.6449 -1.5773 -1.5702 -1.5151 -1.5151 -1.4335 -1.4335 -1.0966 -1.0966 -0.9295 -0.9128 1.5308 1.5349 1.5559 1.5559 3.0247 3.0247 3.2166 3.2166 4.4231 4.4369 4.4405 4.4405 9.9631 9.9637 10.0072 10.0072 11.4979 11.4979 11.8570 11.8570 k = 0.3333 0.5774 0.2952 ( 2892 PWs) bands (ev): -6.2687 -6.2687 -6.2660 -6.2657 -2.3003 -2.3003 -2.1816 -2.1816 -2.1421 -2.1350 -1.9507 -1.9507 -1.6444 -1.6444 -1.5759 -1.5723 -1.5153 -1.5153 -1.4336 -1.4336 -1.0967 -1.0967 -0.9249 -0.9166 1.5284 1.5305 1.5525 1.5525 3.0676 3.0676 3.1723 3.1723 4.4358 4.4427 4.4497 4.4497 9.9524 9.9527 9.9965 9.9965 11.5844 11.5844 11.7752 11.7752 k = 0.3333 0.5774 0.3081 ( 2910 PWs) bands (ev): -6.2686 -6.2686 -6.2658 -6.2658 -2.3002 -2.3002 -2.1817 -2.1817 -2.1387 -2.1387 -1.9511 -1.9511 -1.6443 -1.6443 -1.5742 -1.5742 -1.5155 -1.5155 -1.4337 -1.4337 -1.0968 -1.0968 -0.9207 -0.9207 1.5283 1.5283 1.5514 1.5514 3.0958 3.0958 3.1436 3.1436 4.4423 4.4423 4.4527 4.4527 9.9488 9.9488 9.9929 9.9929 11.6446 11.6446 11.7166 11.7166 Writing output data file CdS.save init_run : 2.94s CPU 13.71s WALL ( 1 calls) electrons : 556.68s CPU 564.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.53s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 556.64s CPU 563.75s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.79s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.05s CPU 0.56s WALL ( 1 calls) newd : 0.78s CPU 0.83s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 323 calls) cegterg : 530.37s CPU 534.34s WALL ( 905 calls) Called by sum_band: Called by *egterg: h_psi : 221.71s CPU 231.15s WALL ( 16951 calls) s_psi : 28.08s CPU 28.89s WALL ( 16951 calls) g_psi : 0.39s CPU 0.48s WALL ( 15723 calls) cdiaghg : 209.31s CPU 206.08s WALL ( 16046 calls) cegterg:over : 42.43s CPU 37.92s WALL ( 15723 calls) cegterg:upda : 4.90s CPU 8.59s WALL ( 15723 calls) cegterg:last : 4.61s CPU 5.52s WALL ( 2234 calls) Called by h_psi: h_psi:vloc : 167.54s CPU 175.80s WALL ( 16951 calls) h_psi:vnl : 54.04s CPU 54.78s WALL ( 16951 calls) add_vuspsi : 17.61s CPU 22.05s WALL ( 16951 calls) General routines calbec : 36.39s CPU 32.60s WALL ( 16951 calls) fft : 0.50s CPU 1.67s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 150.50s CPU 152.87s WALL ( 1207148 calls) interpolate : 0.22s CPU 0.22s WALL ( 4 calls) davcio : 0.02s CPU 1.44s WALL ( 646 calls) Parallel routines fft_scatter : 112.90s CPU 116.15s WALL ( 1207171 calls) PWSCF : 9m56.68s CPU 11m12.40s WALL This run was terminated on: 23:44:20 17Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=