Program PWSCF v.5.1.1 starts on 24Jun2015 at 8:57:56 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: ./InP.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 19 14 4 779 502 80 Max 20 15 5 788 521 89 Sum 925 685 211 37513 24581 3995 bravais-lattice index = 14 lattice parameter (alat) = 7.8424 a.u. unit-cell volume = 695.7081 (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 = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.842363 celldm(2)= 1.000000 celldm(3)= 1.665542 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 1.665542 ) 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 0.600405 ) PseudoPot. # 1 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 P read from file: /home/autes/Pseudo/P.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: 782f947b08835e3b01fca5c2a6fe19fa Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) P 5.00 30.97380 P( 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 ) ( -0.8327711 ) 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 ) ( -0.8327711 ) 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 ) ( -0.8327711 ) 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 ) ( -0.8327711 ) 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 ) ( -0.8327711 ) 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 ) ( -0.8327711 ) 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= 320 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0031250 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0031250 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0031250 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0031250 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0031250 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0031250 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0031250 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0031250 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0031250 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0031250 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0031250 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0031250 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0031250 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0031250 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0031250 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0031250 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0031250 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0031250 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0031250 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0031250 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0031250 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031250 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0031250 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0031250 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0031250 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0031250 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0031250 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0031250 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0031250 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0031250 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0031250 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0031250 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0031250 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0031250 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0031250 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0031250 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0031250 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0031250 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0031250 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0031250 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0031250 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0031250 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0031250 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031250 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031250 k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0031250 k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0031250 k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0031250 k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0031250 k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0031250 k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0031250 k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0031250 k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0031250 k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0031250 k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0031250 k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0031250 k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0031250 k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0031250 k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0031250 k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0031250 k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0031250 k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0031250 k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0031250 k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0031250 k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0031250 k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0031250 k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0031250 k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0031250 k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0031250 k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0031250 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031250 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031250 k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0031250 k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0031250 k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0031250 k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0031250 k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0031250 k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0031250 k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0031250 k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0031250 k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0031250 k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0031250 k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0031250 k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0031250 k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0031250 k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0031250 k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0031250 k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0031250 k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0031250 k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0031250 k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0031250 k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0031250 k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0031250 k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0031250 k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0031250 k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0031250 k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0031250 k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0031250 k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0031250 k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0031250 k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0031250 k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0031250 k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0031250 k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0031250 k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0031250 k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0031250 k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0031250 k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0031250 k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0031250 k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0031250 k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0031250 k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0031250 k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0031250 k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0031250 k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0031250 k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0031250 k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0031250 k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0031250 k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0031250 k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0031250 k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0031250 k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0031250 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 126) = ( 0.0000000 0.0000000 0.0130523), wk = 0.0031250 k( 127) = ( 0.0000000 0.0000000 0.0261046), wk = 0.0031250 k( 128) = ( 0.0000000 0.0000000 0.0391569), wk = 0.0031250 k( 129) = ( 0.0000000 0.0000000 0.0522091), wk = 0.0031250 k( 130) = ( 0.0000000 0.0000000 0.0652614), wk = 0.0031250 k( 131) = ( 0.0000000 0.0000000 0.0783137), wk = 0.0031250 k( 132) = ( 0.0000000 0.0000000 0.0913660), wk = 0.0031250 k( 133) = ( 0.0000000 0.0000000 0.1044183), wk = 0.0031250 k( 134) = ( 0.0000000 0.0000000 0.1174706), wk = 0.0031250 k( 135) = ( 0.0000000 0.0000000 0.1305228), wk = 0.0031250 k( 136) = ( 0.0000000 0.0000000 0.1435751), wk = 0.0031250 k( 137) = ( 0.0000000 0.0000000 0.1566274), wk = 0.0031250 k( 138) = ( 0.0000000 0.0000000 0.1696797), wk = 0.0031250 k( 139) = ( 0.0000000 0.0000000 0.1827320), wk = 0.0031250 k( 140) = ( 0.0000000 0.0000000 0.1957843), wk = 0.0031250 k( 141) = ( 0.0000000 0.0000000 0.2088366), wk = 0.0031250 k( 142) = ( 0.0000000 0.0000000 0.2218888), wk = 0.0031250 k( 143) = ( 0.0000000 0.0000000 0.2349411), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.2479934), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.2610457), wk = 0.0031250 k( 146) = ( 0.0000000 0.0000000 0.2740980), wk = 0.0031250 k( 147) = ( 0.0000000 0.0000000 0.2871503), wk = 0.0031250 k( 148) = ( 0.0000000 0.0000000 0.3002025), wk = 0.0031250 k( 149) = ( 0.0000000 0.0000000 0.3002025), wk = 0.0031250 k( 150) = ( 0.0113636 0.0065608 0.3002025), wk = 0.0031250 k( 151) = ( 0.0227273 0.0131216 0.3002025), wk = 0.0031250 k( 152) = ( 0.0340909 0.0196824 0.3002025), wk = 0.0031250 k( 153) = ( 0.0454546 0.0262432 0.3002025), wk = 0.0031250 k( 154) = ( 0.0568182 0.0328040 0.3002025), wk = 0.0031250 k( 155) = ( 0.0681818 0.0393648 0.3002025), wk = 0.0031250 k( 156) = ( 0.0795455 0.0459256 0.3002025), wk = 0.0031250 k( 157) = ( 0.0909091 0.0524864 0.3002025), wk = 0.0031250 k( 158) = ( 0.1022727 0.0590472 0.3002025), wk = 0.0031250 k( 159) = ( 0.1136364 0.0656080 0.3002025), wk = 0.0031250 k( 160) = ( 0.1250000 0.0721688 0.3002025), wk = 0.0031250 k( 161) = ( 0.1363636 0.0787296 0.3002025), wk = 0.0031250 k( 162) = ( 0.1477273 0.0852904 0.3002025), wk = 0.0031250 k( 163) = ( 0.1590909 0.0918512 0.3002025), wk = 0.0031250 k( 164) = ( 0.1704546 0.0984120 0.3002025), wk = 0.0031250 k( 165) = ( 0.1818182 0.1049728 0.3002025), wk = 0.0031250 k( 166) = ( 0.1931818 0.1115336 0.3002025), wk = 0.0031250 k( 167) = ( 0.2045454 0.1180944 0.3002025), wk = 0.0031250 k( 168) = ( 0.2159091 0.1246552 0.3002025), wk = 0.0031250 k( 169) = ( 0.2272727 0.1312160 0.3002025), wk = 0.0031250 k( 170) = ( 0.2386364 0.1377768 0.3002025), wk = 0.0031250 k( 171) = ( 0.2500000 0.1443376 0.3002025), wk = 0.0031250 k( 172) = ( 0.2613636 0.1508984 0.3002025), wk = 0.0031250 k( 173) = ( 0.2727273 0.1574592 0.3002025), wk = 0.0031250 k( 174) = ( 0.2840909 0.1640200 0.3002025), wk = 0.0031250 k( 175) = ( 0.2954545 0.1705808 0.3002025), wk = 0.0031250 k( 176) = ( 0.3068182 0.1771416 0.3002025), wk = 0.0031250 k( 177) = ( 0.3181818 0.1837024 0.3002025), wk = 0.0031250 k( 178) = ( 0.3295455 0.1902632 0.3002025), wk = 0.0031250 k( 179) = ( 0.3409091 0.1968240 0.3002025), wk = 0.0031250 k( 180) = ( 0.3522727 0.2033848 0.3002025), wk = 0.0031250 k( 181) = ( 0.3636364 0.2099456 0.3002025), wk = 0.0031250 k( 182) = ( 0.3750000 0.2165064 0.3002025), wk = 0.0031250 k( 183) = ( 0.3863636 0.2230672 0.3002025), wk = 0.0031250 k( 184) = ( 0.3977273 0.2296279 0.3002025), wk = 0.0031250 k( 185) = ( 0.4090909 0.2361887 0.3002025), wk = 0.0031250 k( 186) = ( 0.4204545 0.2427495 0.3002025), wk = 0.0031250 k( 187) = ( 0.4318182 0.2493103 0.3002025), wk = 0.0031250 k( 188) = ( 0.4431818 0.2558711 0.3002025), wk = 0.0031250 k( 189) = ( 0.4545455 0.2624319 0.3002025), wk = 0.0031250 k( 190) = ( 0.4659091 0.2689927 0.3002025), wk = 0.0031250 k( 191) = ( 0.4772727 0.2755535 0.3002025), wk = 0.0031250 k( 192) = ( 0.4886364 0.2821143 0.3002025), wk = 0.0031250 k( 193) = ( 0.5000000 0.2886751 0.3002025), wk = 0.0031250 k( 194) = ( 0.5000000 0.2886751 0.3002025), wk = 0.0031250 k( 195) = ( 0.4935897 0.2997780 0.3002025), wk = 0.0031250 k( 196) = ( 0.4871795 0.3108809 0.3002025), wk = 0.0031250 k( 197) = ( 0.4807692 0.3219838 0.3002025), wk = 0.0031250 k( 198) = ( 0.4743590 0.3330867 0.3002025), wk = 0.0031250 k( 199) = ( 0.4679487 0.3441896 0.3002025), wk = 0.0031250 k( 200) = ( 0.4615385 0.3552925 0.3002025), wk = 0.0031250 k( 201) = ( 0.4551282 0.3663954 0.3002025), wk = 0.0031250 k( 202) = ( 0.4487179 0.3774983 0.3002025), wk = 0.0031250 k( 203) = ( 0.4423077 0.3886011 0.3002025), wk = 0.0031250 k( 204) = ( 0.4358974 0.3997040 0.3002025), wk = 0.0031250 k( 205) = ( 0.4294872 0.4108069 0.3002025), wk = 0.0031250 k( 206) = ( 0.4230769 0.4219098 0.3002025), wk = 0.0031250 k( 207) = ( 0.4166667 0.4330127 0.3002025), wk = 0.0031250 k( 208) = ( 0.4102564 0.4441156 0.3002025), wk = 0.0031250 k( 209) = ( 0.4038462 0.4552185 0.3002025), wk = 0.0031250 k( 210) = ( 0.3974359 0.4663214 0.3002025), wk = 0.0031250 k( 211) = ( 0.3910256 0.4774243 0.3002025), wk = 0.0031250 k( 212) = ( 0.3846154 0.4885271 0.3002025), wk = 0.0031250 k( 213) = ( 0.3782051 0.4996300 0.3002025), wk = 0.0031250 k( 214) = ( 0.3717949 0.5107329 0.3002025), wk = 0.0031250 k( 215) = ( 0.3653846 0.5218358 0.3002025), wk = 0.0031250 k( 216) = ( 0.3589744 0.5329387 0.3002025), wk = 0.0031250 k( 217) = ( 0.3525641 0.5440416 0.3002025), wk = 0.0031250 k( 218) = ( 0.3461538 0.5551445 0.3002025), wk = 0.0031250 k( 219) = ( 0.3397436 0.5662474 0.3002025), wk = 0.0031250 k( 220) = ( 0.3333333 0.5773503 0.3002025), wk = 0.0031250 k( 221) = ( 0.3333333 0.5773503 0.3002025), wk = 0.0031250 k( 222) = ( 0.3267974 0.5660297 0.3002025), wk = 0.0031250 k( 223) = ( 0.3202614 0.5547091 0.3002025), wk = 0.0031250 k( 224) = ( 0.3137255 0.5433885 0.3002025), wk = 0.0031250 k( 225) = ( 0.3071895 0.5320679 0.3002025), wk = 0.0031250 k( 226) = ( 0.3006536 0.5207473 0.3002025), wk = 0.0031250 k( 227) = ( 0.2941177 0.5094267 0.3002025), wk = 0.0031250 k( 228) = ( 0.2875817 0.4981061 0.3002025), wk = 0.0031250 k( 229) = ( 0.2810457 0.4867855 0.3002025), wk = 0.0031250 k( 230) = ( 0.2745098 0.4754649 0.3002025), wk = 0.0031250 k( 231) = ( 0.2679739 0.4641443 0.3002025), wk = 0.0031250 k( 232) = ( 0.2614379 0.4528237 0.3002025), wk = 0.0031250 k( 233) = ( 0.2549020 0.4415031 0.3002025), wk = 0.0031250 k( 234) = ( 0.2483660 0.4301825 0.3002025), wk = 0.0031250 k( 235) = ( 0.2418301 0.4188620 0.3002025), wk = 0.0031250 k( 236) = ( 0.2352941 0.4075414 0.3002025), wk = 0.0031250 k( 237) = ( 0.2287582 0.3962208 0.3002025), wk = 0.0031250 k( 238) = ( 0.2222222 0.3849002 0.3002025), wk = 0.0031250 k( 239) = ( 0.2156863 0.3735796 0.3002025), wk = 0.0031250 k( 240) = ( 0.2091503 0.3622590 0.3002025), wk = 0.0031250 k( 241) = ( 0.2026144 0.3509384 0.3002025), wk = 0.0031250 k( 242) = ( 0.1960784 0.3396178 0.3002025), wk = 0.0031250 k( 243) = ( 0.1895425 0.3282972 0.3002025), wk = 0.0031250 k( 244) = ( 0.1830065 0.3169766 0.3002025), wk = 0.0031250 k( 245) = ( 0.1764706 0.3056560 0.3002025), wk = 0.0031250 k( 246) = ( 0.1699346 0.2943354 0.3002025), wk = 0.0031250 k( 247) = ( 0.1633987 0.2830148 0.3002025), wk = 0.0031250 k( 248) = ( 0.1568627 0.2716943 0.3002025), wk = 0.0031250 k( 249) = ( 0.1503268 0.2603737 0.3002025), wk = 0.0031250 k( 250) = ( 0.1437908 0.2490531 0.3002025), wk = 0.0031250 k( 251) = ( 0.1372549 0.2377325 0.3002025), wk = 0.0031250 k( 252) = ( 0.1307190 0.2264119 0.3002025), wk = 0.0031250 k( 253) = ( 0.1241830 0.2150913 0.3002025), wk = 0.0031250 k( 254) = ( 0.1176471 0.2037707 0.3002025), wk = 0.0031250 k( 255) = ( 0.1111111 0.1924501 0.3002025), wk = 0.0031250 k( 256) = ( 0.1045752 0.1811295 0.3002025), wk = 0.0031250 k( 257) = ( 0.0980392 0.1698089 0.3002025), wk = 0.0031250 k( 258) = ( 0.0915033 0.1584883 0.3002025), wk = 0.0031250 k( 259) = ( 0.0849673 0.1471677 0.3002025), wk = 0.0031250 k( 260) = ( 0.0784314 0.1358471 0.3002025), wk = 0.0031250 k( 261) = ( 0.0718954 0.1245265 0.3002025), wk = 0.0031250 k( 262) = ( 0.0653595 0.1132059 0.3002025), wk = 0.0031250 k( 263) = ( 0.0588235 0.1018853 0.3002025), wk = 0.0031250 k( 264) = ( 0.0522876 0.0905647 0.3002025), wk = 0.0031250 k( 265) = ( 0.0457516 0.0792441 0.3002025), wk = 0.0031250 k( 266) = ( 0.0392157 0.0679236 0.3002025), wk = 0.0031250 k( 267) = ( 0.0326797 0.0566030 0.3002025), wk = 0.0031250 k( 268) = ( 0.0261438 0.0452824 0.3002025), wk = 0.0031250 k( 269) = ( 0.0196078 0.0339618 0.3002025), wk = 0.0031250 k( 270) = ( 0.0130719 0.0226412 0.3002025), wk = 0.0031250 k( 271) = ( 0.0065359 0.0113206 0.3002025), wk = 0.0031250 k( 272) = ( 0.0000000 0.0000000 0.3002025), wk = 0.0031250 k( 273) = ( 0.5000000 0.2886751 0.3002025), wk = 0.0031250 k( 274) = ( 0.5000000 0.2886751 0.2871503), wk = 0.0031250 k( 275) = ( 0.5000000 0.2886751 0.2740980), wk = 0.0031250 k( 276) = ( 0.5000000 0.2886751 0.2610457), wk = 0.0031250 k( 277) = ( 0.5000000 0.2886751 0.2479934), wk = 0.0031250 k( 278) = ( 0.5000000 0.2886751 0.2349411), wk = 0.0031250 k( 279) = ( 0.5000000 0.2886751 0.2218888), wk = 0.0031250 k( 280) = ( 0.5000000 0.2886751 0.2088366), wk = 0.0031250 k( 281) = ( 0.5000000 0.2886751 0.1957843), wk = 0.0031250 k( 282) = ( 0.5000000 0.2886751 0.1827320), wk = 0.0031250 k( 283) = ( 0.5000000 0.2886751 0.1696797), wk = 0.0031250 k( 284) = ( 0.5000000 0.2886751 0.1566274), wk = 0.0031250 k( 285) = ( 0.5000000 0.2886751 0.1435751), wk = 0.0031250 k( 286) = ( 0.5000000 0.2886751 0.1305228), wk = 0.0031250 k( 287) = ( 0.5000000 0.2886751 0.1174706), wk = 0.0031250 k( 288) = ( 0.5000000 0.2886751 0.1044183), wk = 0.0031250 k( 289) = ( 0.5000000 0.2886751 0.0913660), wk = 0.0031250 k( 290) = ( 0.5000000 0.2886751 0.0783137), wk = 0.0031250 k( 291) = ( 0.5000000 0.2886751 0.0652614), wk = 0.0031250 k( 292) = ( 0.5000000 0.2886751 0.0522091), wk = 0.0031250 k( 293) = ( 0.5000000 0.2886751 0.0391569), wk = 0.0031250 k( 294) = ( 0.5000000 0.2886751 0.0261046), wk = 0.0031250 k( 295) = ( 0.5000000 0.2886751 0.0130523), wk = 0.0031250 k( 296) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031250 k( 297) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031250 k( 298) = ( 0.3333333 0.5773503 0.0130523), wk = 0.0031250 k( 299) = ( 0.3333333 0.5773503 0.0261046), wk = 0.0031250 k( 300) = ( 0.3333333 0.5773503 0.0391569), wk = 0.0031250 k( 301) = ( 0.3333333 0.5773503 0.0522091), wk = 0.0031250 k( 302) = ( 0.3333333 0.5773503 0.0652614), wk = 0.0031250 k( 303) = ( 0.3333333 0.5773503 0.0783137), wk = 0.0031250 k( 304) = ( 0.3333333 0.5773503 0.0913660), wk = 0.0031250 k( 305) = ( 0.3333333 0.5773503 0.1044183), wk = 0.0031250 k( 306) = ( 0.3333333 0.5773503 0.1174706), wk = 0.0031250 k( 307) = ( 0.3333333 0.5773503 0.1305228), wk = 0.0031250 k( 308) = ( 0.3333333 0.5773503 0.1435751), wk = 0.0031250 k( 309) = ( 0.3333333 0.5773503 0.1566274), wk = 0.0031250 k( 310) = ( 0.3333333 0.5773503 0.1696797), wk = 0.0031250 k( 311) = ( 0.3333333 0.5773503 0.1827320), wk = 0.0031250 k( 312) = ( 0.3333333 0.5773503 0.1957843), wk = 0.0031250 k( 313) = ( 0.3333333 0.5773503 0.2088366), wk = 0.0031250 k( 314) = ( 0.3333333 0.5773503 0.2218888), wk = 0.0031250 k( 315) = ( 0.3333333 0.5773503 0.2349411), wk = 0.0031250 k( 316) = ( 0.3333333 0.5773503 0.2479934), wk = 0.0031250 k( 317) = ( 0.3333333 0.5773503 0.2610457), wk = 0.0031250 k( 318) = ( 0.3333333 0.5773503 0.2740980), wk = 0.0031250 k( 319) = ( 0.3333333 0.5773503 0.2871503), wk = 0.0031250 k( 320) = ( 0.3333333 0.5773503 0.3002025), wk = 0.0031250 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0031250 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0031250 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0031250 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0031250 k( 6) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0031250 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0031250 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0031250 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0031250 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0031250 k( 11) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0031250 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0031250 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0031250 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0031250 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0031250 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0031250 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0031250 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0031250 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0031250 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0031250 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0031250 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0031250 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0031250 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0031250 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0031250 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0031250 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0031250 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0031250 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0031250 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0031250 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0031250 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0031250 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0031250 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0031250 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0031250 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0031250 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0031250 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0031250 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0031250 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0031250 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0031250 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0031250 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0031250 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0031250 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031250 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031250 k( 47) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0031250 k( 48) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0031250 k( 49) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0031250 k( 50) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0031250 k( 51) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0031250 k( 52) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0031250 k( 53) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0031250 k( 54) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0031250 k( 55) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0031250 k( 56) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0031250 k( 57) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0031250 k( 58) = ( 0.4230769 0.1538462 0.0000000), wk = 0.0031250 k( 59) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0031250 k( 60) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0031250 k( 61) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0031250 k( 62) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0031250 k( 63) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0031250 k( 64) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0031250 k( 65) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0031250 k( 66) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0031250 k( 67) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0031250 k( 68) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0031250 k( 69) = ( 0.3525641 0.2948718 -0.0000000), wk = 0.0031250 k( 70) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0031250 k( 71) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0031250 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031250 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031250 k( 74) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0031250 k( 75) = ( 0.3202614 0.3202614 0.0000000), wk = 0.0031250 k( 76) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0031250 k( 77) = ( 0.3071895 0.3071895 0.0000000), wk = 0.0031250 k( 78) = ( 0.3006536 0.3006536 0.0000000), wk = 0.0031250 k( 79) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0031250 k( 80) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0031250 k( 81) = ( 0.2810457 0.2810457 -0.0000000), wk = 0.0031250 k( 82) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0031250 k( 83) = ( 0.2679739 0.2679739 0.0000000), wk = 0.0031250 k( 84) = ( 0.2614379 0.2614379 -0.0000000), wk = 0.0031250 k( 85) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0031250 k( 86) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0031250 k( 87) = ( 0.2418301 0.2418301 0.0000000), wk = 0.0031250 k( 88) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0031250 k( 89) = ( 0.2287582 0.2287582 0.0000000), wk = 0.0031250 k( 90) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0031250 k( 91) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0031250 k( 92) = ( 0.2091503 0.2091503 0.0000000), wk = 0.0031250 k( 93) = ( 0.2026144 0.2026144 0.0000000), wk = 0.0031250 k( 94) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0031250 k( 95) = ( 0.1895425 0.1895425 0.0000000), wk = 0.0031250 k( 96) = ( 0.1830065 0.1830065 -0.0000000), wk = 0.0031250 k( 97) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0031250 k( 98) = ( 0.1699346 0.1699346 0.0000000), wk = 0.0031250 k( 99) = ( 0.1633987 0.1633987 0.0000000), wk = 0.0031250 k( 100) = ( 0.1568627 0.1568628 0.0000000), wk = 0.0031250 k( 101) = ( 0.1503268 0.1503268 0.0000000), wk = 0.0031250 k( 102) = ( 0.1437908 0.1437909 0.0000000), wk = 0.0031250 k( 103) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0031250 k( 104) = ( 0.1307190 0.1307190 0.0000000), wk = 0.0031250 k( 105) = ( 0.1241830 0.1241830 0.0000000), wk = 0.0031250 k( 106) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0031250 k( 107) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0031250 k( 108) = ( 0.1045752 0.1045752 -0.0000000), wk = 0.0031250 k( 109) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0031250 k( 110) = ( 0.0915033 0.0915033 -0.0000000), wk = 0.0031250 k( 111) = ( 0.0849673 0.0849673 0.0000000), wk = 0.0031250 k( 112) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0031250 k( 113) = ( 0.0718954 0.0718954 -0.0000000), wk = 0.0031250 k( 114) = ( 0.0653595 0.0653595 0.0000000), wk = 0.0031250 k( 115) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0031250 k( 116) = ( 0.0522876 0.0522876 -0.0000000), wk = 0.0031250 k( 117) = ( 0.0457516 0.0457516 0.0000000), wk = 0.0031250 k( 118) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0031250 k( 119) = ( 0.0326797 0.0326797 0.0000000), wk = 0.0031250 k( 120) = ( 0.0261438 0.0261438 -0.0000000), wk = 0.0031250 k( 121) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0031250 k( 122) = ( 0.0130719 0.0130719 0.0000000), wk = 0.0031250 k( 123) = ( 0.0065359 0.0065359 0.0000000), wk = 0.0031250 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 126) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0031250 k( 127) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0031250 k( 128) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0031250 k( 129) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0031250 k( 130) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0031250 k( 131) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0031250 k( 132) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0031250 k( 133) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0031250 k( 134) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0031250 k( 135) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0031250 k( 136) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0031250 k( 137) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0031250 k( 138) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0031250 k( 139) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0031250 k( 140) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0031250 k( 141) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0031250 k( 142) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0031250 k( 143) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0031250 k( 146) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0031250 k( 147) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0031250 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 150) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0031250 k( 151) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0031250 k( 152) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0031250 k( 153) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0031250 k( 154) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0031250 k( 155) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0031250 k( 156) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0031250 k( 157) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0031250 k( 158) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0031250 k( 159) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0031250 k( 160) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0031250 k( 161) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0031250 k( 162) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0031250 k( 163) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0031250 k( 164) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0031250 k( 165) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0031250 k( 166) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0031250 k( 167) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0031250 k( 168) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0031250 k( 169) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0031250 k( 170) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0031250 k( 171) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0031250 k( 172) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0031250 k( 173) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0031250 k( 174) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0031250 k( 175) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0031250 k( 176) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0031250 k( 177) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0031250 k( 178) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0031250 k( 179) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0031250 k( 180) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0031250 k( 181) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0031250 k( 182) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0031250 k( 183) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0031250 k( 184) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0031250 k( 185) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0031250 k( 186) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0031250 k( 187) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0031250 k( 188) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0031250 k( 189) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0031250 k( 190) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0031250 k( 191) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0031250 k( 192) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0031250 k( 193) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 194) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 195) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0031250 k( 196) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0031250 k( 197) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0031250 k( 198) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0031250 k( 199) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0031250 k( 200) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0031250 k( 201) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0031250 k( 202) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0031250 k( 203) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0031250 k( 204) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0031250 k( 205) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0031250 k( 206) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0031250 k( 207) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0031250 k( 208) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0031250 k( 209) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0031250 k( 210) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0031250 k( 211) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0031250 k( 212) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0031250 k( 213) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0031250 k( 214) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0031250 k( 215) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0031250 k( 216) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0031250 k( 217) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0031250 k( 218) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0031250 k( 219) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0031250 k( 220) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031250 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031250 k( 222) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0031250 k( 223) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0031250 k( 224) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0031250 k( 225) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0031250 k( 226) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0031250 k( 227) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0031250 k( 228) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0031250 k( 229) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0031250 k( 230) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0031250 k( 231) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0031250 k( 232) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0031250 k( 233) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0031250 k( 234) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0031250 k( 235) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0031250 k( 236) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0031250 k( 237) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0031250 k( 238) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0031250 k( 239) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0031250 k( 240) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0031250 k( 241) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0031250 k( 242) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0031250 k( 243) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0031250 k( 244) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0031250 k( 245) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0031250 k( 246) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0031250 k( 247) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0031250 k( 248) = ( 0.1568627 0.1568628 0.5000000), wk = 0.0031250 k( 249) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0031250 k( 250) = ( 0.1437908 0.1437909 0.5000000), wk = 0.0031250 k( 251) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0031250 k( 252) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0031250 k( 253) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0031250 k( 254) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0031250 k( 255) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0031250 k( 256) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0031250 k( 257) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0031250 k( 258) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0031250 k( 259) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0031250 k( 260) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0031250 k( 261) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0031250 k( 262) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0031250 k( 263) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0031250 k( 264) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0031250 k( 265) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0031250 k( 266) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0031250 k( 267) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0031250 k( 268) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0031250 k( 269) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0031250 k( 270) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0031250 k( 271) = ( 0.0065359 0.0065359 0.5000000), wk = 0.0031250 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 273) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 274) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0031250 k( 275) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0031250 k( 276) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0031250 k( 277) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0031250 k( 278) = ( 0.5000000 0.0000000 0.3913043), wk = 0.0031250 k( 279) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0031250 k( 280) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0031250 k( 281) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0031250 k( 282) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0031250 k( 283) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0031250 k( 284) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0031250 k( 285) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0031250 k( 286) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0031250 k( 287) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0031250 k( 288) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0031250 k( 289) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0031250 k( 290) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0031250 k( 291) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0031250 k( 292) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0031250 k( 293) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0031250 k( 294) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0031250 k( 295) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0031250 k( 296) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031250 k( 297) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031250 k( 298) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0031250 k( 299) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0031250 k( 300) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0031250 k( 301) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0031250 k( 302) = ( 0.3333333 0.3333333 0.1086956), wk = 0.0031250 k( 303) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0031250 k( 304) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0031250 k( 305) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0031250 k( 306) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0031250 k( 307) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0031250 k( 308) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0031250 k( 309) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0031250 k( 310) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0031250 k( 311) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0031250 k( 312) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0031250 k( 313) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0031250 k( 314) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0031250 k( 315) = ( 0.3333333 0.3333333 0.3913043), wk = 0.0031250 k( 316) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0031250 k( 317) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0031250 k( 318) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0031250 k( 319) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0031250 k( 320) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031250 Dense grid: 37513 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 24581 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 140, 44) NL pseudopotentials 0.10 Mb ( 70, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 781) G-vector shells 0.00 Mb ( 348) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 140, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./InP.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 42.7 secs Computing kpt #: 2 total cpu time spent up to now is 44.2 secs Computing kpt #: 3 total cpu time spent up to now is 45.6 secs Computing kpt #: 4 total cpu time spent up to now is 47.0 secs Computing kpt #: 5 total cpu time spent up to now is 48.2 secs Computing kpt #: 6 total cpu time spent up to now is 49.4 secs Computing kpt #: 7 total cpu time spent up to now is 50.7 secs Computing kpt #: 8 total cpu time spent up to now is 52.6 secs Computing kpt #: 9 total cpu time spent up to now is 53.9 secs Computing kpt #: 10 total cpu time spent up to now is 55.0 secs Computing kpt #: 11 total cpu time spent up to now is 56.2 secs Computing kpt #: 12 total cpu time spent up to now is 57.6 secs Computing kpt #: 13 total cpu time spent up to now is 58.7 secs Computing kpt #: 14 total cpu time spent up to now is 60.0 secs Computing kpt #: 15 total cpu time spent up to now is 61.4 secs Computing kpt #: 16 total cpu time spent up to now is 62.8 secs Computing kpt #: 17 total cpu time spent up to now is 64.1 secs Computing kpt #: 18 total cpu time spent up to now is 65.7 secs Computing kpt #: 19 total cpu time spent up to now is 67.1 secs Computing kpt #: 20 total cpu time spent up to now is 68.6 secs Computing kpt #: 21 total cpu time spent up to now is 70.0 secs Computing kpt #: 22 total cpu time spent up to now is 71.7 secs Computing kpt #: 23 total cpu time spent up to now is 73.0 secs Computing kpt #: 24 total cpu time spent up to now is 74.1 secs Computing kpt #: 25 total cpu time spent up to now is 75.4 secs Computing kpt #: 26 total cpu time spent up to now is 76.8 secs Computing kpt #: 27 total cpu time spent up to now is 78.4 secs Computing kpt #: 28 total cpu time spent up to now is 79.6 secs Computing kpt #: 29 total cpu time spent up to now is 80.7 secs Computing kpt #: 30 total cpu time spent up to now is 82.2 secs Computing kpt #: 31 total cpu time spent up to now is 83.6 secs Computing kpt #: 32 total cpu time spent up to now is 85.3 secs Computing kpt #: 33 total cpu time spent up to now is 86.7 secs Computing kpt #: 34 total cpu time spent up to now is 88.0 secs Computing kpt #: 35 total cpu time spent up to now is 89.2 secs Computing kpt #: 36 total cpu time spent up to now is 90.4 secs Computing kpt #: 37 total cpu time spent up to now is 92.2 secs Computing kpt #: 38 total cpu time spent up to now is 93.7 secs Computing kpt #: 39 total cpu time spent up to now is 95.1 secs Computing kpt #: 40 total cpu time spent up to now is 96.4 secs Computing kpt #: 41 total cpu time spent up to now is 97.7 secs Computing kpt #: 42 total cpu time spent up to now is 100.1 secs Computing kpt #: 43 total cpu time spent up to now is 102.3 secs Computing kpt #: 44 total cpu time spent up to now is 103.9 secs Computing kpt #: 45 total cpu time spent up to now is 105.3 secs Computing kpt #: 46 total cpu time spent up to now is 106.8 secs Computing kpt #: 47 total cpu time spent up to now is 108.1 secs Computing kpt #: 48 total cpu time spent up to now is 109.3 secs Computing kpt #: 49 total cpu time spent up to now is 111.1 secs Computing kpt #: 50 total cpu time spent up to now is 112.3 secs Computing kpt #: 51 total cpu time spent up to now is 113.7 secs Computing kpt #: 52 total cpu time spent up to now is 114.9 secs Computing kpt #: 53 total cpu time spent up to now is 116.0 secs Computing kpt #: 54 total cpu time spent up to now is 117.1 secs Computing kpt #: 55 total cpu time spent up to now is 118.2 secs Computing kpt #: 56 total cpu time spent up to now is 119.4 secs Computing kpt #: 57 total cpu time spent up to now is 120.9 secs Computing kpt #: 58 total cpu time spent up to now is 122.2 secs Computing kpt #: 59 total cpu time spent up to now is 123.5 secs Computing kpt #: 60 total cpu time spent up to now is 124.8 secs Computing kpt #: 61 total cpu time spent up to now is 126.2 secs Computing kpt #: 62 total cpu time spent up to now is 127.7 secs Computing kpt #: 63 total cpu time spent up to now is 129.9 secs Computing kpt #: 64 total cpu time spent up to now is 131.8 secs Computing kpt #: 65 total cpu time spent up to now is 133.4 secs Computing kpt #: 66 total cpu time spent up to now is 135.0 secs Computing kpt #: 67 total cpu time spent up to now is 136.8 secs Computing kpt #: 68 total cpu time spent up to now is 138.6 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.4 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.4 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.7 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 151.4 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.3 secs Computing kpt #: 74 total cpu time spent up to now is 156.8 secs Computing kpt #: 75 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.6 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.4 secs Computing kpt #: 77 total cpu time spent up to now is 164.2 secs Computing kpt #: 78 total cpu time spent up to now is 166.0 secs Computing kpt #: 79 total cpu time spent up to now is 167.6 secs Computing kpt #: 80 total cpu time spent up to now is 169.0 secs Computing kpt #: 81 total cpu time spent up to now is 170.4 secs Computing kpt #: 82 total cpu time spent up to now is 171.6 secs Computing kpt #: 83 total cpu time spent up to now is 172.8 secs Computing kpt #: 84 total cpu time spent up to now is 173.9 secs Computing kpt #: 85 total cpu time spent up to now is 175.1 secs Computing kpt #: 86 total cpu time spent up to now is 176.8 secs Computing kpt #: 87 total cpu time spent up to now is 177.9 secs Computing kpt #: 88 total cpu time spent up to now is 179.0 secs Computing kpt #: 89 total cpu time spent up to now is 180.0 secs Computing kpt #: 90 total cpu time spent up to now is 181.2 secs Computing kpt #: 91 total cpu time spent up to now is 182.3 secs Computing kpt #: 92 total cpu time spent up to now is 183.6 secs Computing kpt #: 93 total cpu time spent up to now is 185.4 secs Computing kpt #: 94 total cpu time spent up to now is 186.4 secs Computing kpt #: 95 total cpu time spent up to now is 187.4 secs Computing kpt #: 96 total cpu time spent up to now is 188.5 secs Computing kpt #: 97 total cpu time spent up to now is 190.5 secs Computing kpt #: 98 total cpu time spent up to now is 192.5 secs Computing kpt #: 99 total cpu time spent up to now is 194.4 secs Computing kpt #: 100 total cpu time spent up to now is 195.4 secs Computing kpt #: 101 total cpu time spent up to now is 196.5 secs Computing kpt #: 102 total cpu time spent up to now is 197.5 secs Computing kpt #: 103 total cpu time spent up to now is 198.9 secs Computing kpt #: 104 total cpu time spent up to now is 200.3 secs Computing kpt #: 105 total cpu time spent up to now is 201.4 secs Computing kpt #: 106 total cpu time spent up to now is 202.6 secs Computing kpt #: 107 total cpu time spent up to now is 203.7 secs Computing kpt #: 108 total cpu time spent up to now is 204.9 secs Computing kpt #: 109 total cpu time spent up to now is 206.0 secs Computing kpt #: 110 total cpu time spent up to now is 207.3 secs Computing kpt #: 111 total cpu time spent up to now is 208.5 secs Computing kpt #: 112 total cpu time spent up to now is 210.1 secs Computing kpt #: 113 total cpu time spent up to now is 211.4 secs Computing kpt #: 114 total cpu time spent up to now is 212.6 secs Computing kpt #: 115 total cpu time spent up to now is 213.8 secs Computing kpt #: 116 total cpu time spent up to now is 215.2 secs Computing kpt #: 117 total cpu time spent up to now is 216.8 secs Computing kpt #: 118 total cpu time spent up to now is 217.9 secs Computing kpt #: 119 total cpu time spent up to now is 219.0 secs Computing kpt #: 120 total cpu time spent up to now is 220.1 secs Computing kpt #: 121 total cpu time spent up to now is 221.2 secs Computing kpt #: 122 total cpu time spent up to now is 222.4 secs Computing kpt #: 123 total cpu time spent up to now is 223.5 secs Computing kpt #: 124 total cpu time spent up to now is 224.5 secs Computing kpt #: 125 total cpu time spent up to now is 225.7 secs Computing kpt #: 126 total cpu time spent up to now is 227.1 secs Computing kpt #: 127 total cpu time spent up to now is 228.2 secs Computing kpt #: 128 total cpu time spent up to now is 229.3 secs Computing kpt #: 129 total cpu time spent up to now is 230.3 secs Computing kpt #: 130 total cpu time spent up to now is 231.6 secs Computing kpt #: 131 total cpu time spent up to now is 233.0 secs Computing kpt #: 132 total cpu time spent up to now is 235.1 secs Computing kpt #: 133 total cpu time spent up to now is 236.6 secs Computing kpt #: 134 total cpu time spent up to now is 237.7 secs Computing kpt #: 135 total cpu time spent up to now is 238.8 secs Computing kpt #: 136 total cpu time spent up to now is 240.0 secs Computing kpt #: 137 total cpu time spent up to now is 242.0 secs Computing kpt #: 138 total cpu time spent up to now is 243.1 secs Computing kpt #: 139 total cpu time spent up to now is 244.1 secs Computing kpt #: 140 total cpu time spent up to now is 245.3 secs Computing kpt #: 141 total cpu time spent up to now is 246.3 secs Computing kpt #: 142 total cpu time spent up to now is 248.2 secs Computing kpt #: 143 total cpu time spent up to now is 251.4 secs Computing kpt #: 144 total cpu time spent up to now is 253.1 secs Computing kpt #: 145 total cpu time spent up to now is 255.4 secs Computing kpt #: 146 total cpu time spent up to now is 256.9 secs Computing kpt #: 147 total cpu time spent up to now is 258.8 secs Computing kpt #: 148 total cpu time spent up to now is 260.1 secs Computing kpt #: 149 total cpu time spent up to now is 261.7 secs Computing kpt #: 150 total cpu time spent up to now is 263.2 secs Computing kpt #: 151 total cpu time spent up to now is 264.5 secs Computing kpt #: 152 total cpu time spent up to now is 265.8 secs Computing kpt #: 153 total cpu time spent up to now is 267.0 secs Computing kpt #: 154 total cpu time spent up to now is 268.3 secs Computing kpt #: 155 total cpu time spent up to now is 270.1 secs Computing kpt #: 156 total cpu time spent up to now is 271.3 secs Computing kpt #: 157 total cpu time spent up to now is 272.9 secs Computing kpt #: 158 total cpu time spent up to now is 274.0 secs Computing kpt #: 159 total cpu time spent up to now is 275.0 secs Computing kpt #: 160 total cpu time spent up to now is 276.5 secs Computing kpt #: 161 total cpu time spent up to now is 277.9 secs Computing kpt #: 162 total cpu time spent up to now is 279.2 secs Computing kpt #: 163 total cpu time spent up to now is 280.2 secs Computing kpt #: 164 total cpu time spent up to now is 281.3 secs Computing kpt #: 165 total cpu time spent up to now is 282.4 secs Computing kpt #: 166 total cpu time spent up to now is 283.4 secs Computing kpt #: 167 total cpu time spent up to now is 284.7 secs Computing kpt #: 168 total cpu time spent up to now is 285.8 secs Computing kpt #: 169 total cpu time spent up to now is 287.0 secs Computing kpt #: 170 total cpu time spent up to now is 288.1 secs Computing kpt #: 171 total cpu time spent up to now is 289.6 secs Computing kpt #: 172 total cpu time spent up to now is 290.7 secs Computing kpt #: 173 total cpu time spent up to now is 291.7 secs Computing kpt #: 174 total cpu time spent up to now is 292.6 secs Computing kpt #: 175 total cpu time spent up to now is 293.6 secs Computing kpt #: 176 total cpu time spent up to now is 294.5 secs Computing kpt #: 177 total cpu time spent up to now is 295.5 secs Computing kpt #: 178 total cpu time spent up to now is 296.6 secs Computing kpt #: 179 total cpu time spent up to now is 297.7 secs Computing kpt #: 180 total cpu time spent up to now is 298.7 secs Computing kpt #: 181 total cpu time spent up to now is 299.6 secs Computing kpt #: 182 total cpu time spent up to now is 300.6 secs Computing kpt #: 183 total cpu time spent up to now is 301.5 secs Computing kpt #: 184 total cpu time spent up to now is 302.4 secs Computing kpt #: 185 total cpu time spent up to now is 303.4 secs Computing kpt #: 186 total cpu time spent up to now is 304.3 secs Computing kpt #: 187 total cpu time spent up to now is 305.2 secs Computing kpt #: 188 total cpu time spent up to now is 306.3 secs Computing kpt #: 189 total cpu time spent up to now is 307.4 secs Computing kpt #: 190 total cpu time spent up to now is 308.5 secs Computing kpt #: 191 total cpu time spent up to now is 309.4 secs Computing kpt #: 192 total cpu time spent up to now is 310.2 secs Computing kpt #: 193 total cpu time spent up to now is 311.1 secs Computing kpt #: 194 total cpu time spent up to now is 312.4 secs Computing kpt #: 195 total cpu time spent up to now is 313.7 secs Computing kpt #: 196 total cpu time spent up to now is 314.8 secs Computing kpt #: 197 total cpu time spent up to now is 315.8 secs Computing kpt #: 198 total cpu time spent up to now is 316.7 secs Computing kpt #: 199 total cpu time spent up to now is 317.6 secs Computing kpt #: 200 total cpu time spent up to now is 318.6 secs Computing kpt #: 201 total cpu time spent up to now is 319.5 secs Computing kpt #: 202 total cpu time spent up to now is 320.5 secs Computing kpt #: 203 total cpu time spent up to now is 321.5 secs Computing kpt #: 204 total cpu time spent up to now is 322.5 secs Computing kpt #: 205 total cpu time spent up to now is 323.4 secs Computing kpt #: 206 total cpu time spent up to now is 324.5 secs Computing kpt #: 207 total cpu time spent up to now is 325.7 secs Computing kpt #: 208 total cpu time spent up to now is 327.0 secs Computing kpt #: 209 total cpu time spent up to now is 328.1 secs Computing kpt #: 210 total cpu time spent up to now is 329.1 secs Computing kpt #: 211 total cpu time spent up to now is 330.4 secs Computing kpt #: 212 total cpu time spent up to now is 331.6 secs Computing kpt #: 213 total cpu time spent up to now is 333.2 secs Computing kpt #: 214 total cpu time spent up to now is 334.3 secs Computing kpt #: 215 total cpu time spent up to now is 335.4 secs Computing kpt #: 216 total cpu time spent up to now is 337.0 secs Computing kpt #: 217 total cpu time spent up to now is 338.3 secs Computing kpt #: 218 total cpu time spent up to now is 339.5 secs Computing kpt #: 219 total cpu time spent up to now is 340.9 secs Computing kpt #: 220 total cpu time spent up to now is 342.1 secs Computing kpt #: 221 total cpu time spent up to now is 343.2 secs Computing kpt #: 222 total cpu time spent up to now is 344.3 secs Computing kpt #: 223 total cpu time spent up to now is 345.3 secs Computing kpt #: 224 total cpu time spent up to now is 346.4 secs Computing kpt #: 225 total cpu time spent up to now is 347.8 secs Computing kpt #: 226 total cpu time spent up to now is 349.1 secs Computing kpt #: 227 total cpu time spent up to now is 350.2 secs Computing kpt #: 228 total cpu time spent up to now is 351.5 secs Computing kpt #: 229 total cpu time spent up to now is 352.6 secs Computing kpt #: 230 total cpu time spent up to now is 353.9 secs Computing kpt #: 231 total cpu time spent up to now is 355.0 secs Computing kpt #: 232 total cpu time spent up to now is 356.0 secs Computing kpt #: 233 total cpu time spent up to now is 357.3 secs Computing kpt #: 234 total cpu time spent up to now is 358.7 secs Computing kpt #: 235 total cpu time spent up to now is 360.3 secs Computing kpt #: 236 total cpu time spent up to now is 362.2 secs Computing kpt #: 237 total cpu time spent up to now is 363.7 secs Computing kpt #: 238 total cpu time spent up to now is 365.8 secs Computing kpt #: 239 total cpu time spent up to now is 367.5 secs Computing kpt #: 240 total cpu time spent up to now is 368.6 secs Computing kpt #: 241 total cpu time spent up to now is 369.6 secs Computing kpt #: 242 total cpu time spent up to now is 370.7 secs Computing kpt #: 243 total cpu time spent up to now is 371.7 secs Computing kpt #: 244 total cpu time spent up to now is 373.0 secs Computing kpt #: 245 total cpu time spent up to now is 374.3 secs Computing kpt #: 246 total cpu time spent up to now is 375.4 secs Computing kpt #: 247 total cpu time spent up to now is 377.1 secs Computing kpt #: 248 total cpu time spent up to now is 378.4 secs Computing kpt #: 249 total cpu time spent up to now is 380.0 secs Computing kpt #: 250 total cpu time spent up to now is 381.0 secs Computing kpt #: 251 total cpu time spent up to now is 382.1 secs Computing kpt #: 252 total cpu time spent up to now is 383.1 secs Computing kpt #: 253 total cpu time spent up to now is 384.1 secs Computing kpt #: 254 total cpu time spent up to now is 385.2 secs Computing kpt #: 255 total cpu time spent up to now is 386.3 secs Computing kpt #: 256 total cpu time spent up to now is 387.4 secs Computing kpt #: 257 total cpu time spent up to now is 388.5 secs Computing kpt #: 258 total cpu time spent up to now is 389.5 secs Computing kpt #: 259 total cpu time spent up to now is 390.5 secs Computing kpt #: 260 total cpu time spent up to now is 391.6 secs Computing kpt #: 261 total cpu time spent up to now is 392.6 secs Computing kpt #: 262 total cpu time spent up to now is 394.5 secs Computing kpt #: 263 total cpu time spent up to now is 395.8 secs Computing kpt #: 264 total cpu time spent up to now is 396.9 secs Computing kpt #: 265 total cpu time spent up to now is 398.1 secs Computing kpt #: 266 total cpu time spent up to now is 399.9 secs Computing kpt #: 267 total cpu time spent up to now is 401.2 secs Computing kpt #: 268 total cpu time spent up to now is 402.7 secs Computing kpt #: 269 total cpu time spent up to now is 404.1 secs Computing kpt #: 270 total cpu time spent up to now is 405.7 secs Computing kpt #: 271 total cpu time spent up to now is 407.0 secs Computing kpt #: 272 total cpu time spent up to now is 408.3 secs Computing kpt #: 273 total cpu time spent up to now is 409.2 secs Computing kpt #: 274 total cpu time spent up to now is 410.1 secs Computing kpt #: 275 total cpu time spent up to now is 411.1 secs Computing kpt #: 276 total cpu time spent up to now is 412.2 secs Computing kpt #: 277 total cpu time spent up to now is 413.5 secs Computing kpt #: 278 total cpu time spent up to now is 414.9 secs Computing kpt #: 279 total cpu time spent up to now is 415.9 secs Computing kpt #: 280 total cpu time spent up to now is 416.8 secs Computing kpt #: 281 total cpu time spent up to now is 417.7 secs Computing kpt #: 282 total cpu time spent up to now is 418.7 secs Computing kpt #: 283 total cpu time spent up to now is 419.6 secs Computing kpt #: 284 total cpu time spent up to now is 420.7 secs Computing kpt #: 285 total cpu time spent up to now is 421.7 secs Computing kpt #: 286 total cpu time spent up to now is 422.8 secs Computing kpt #: 287 total cpu time spent up to now is 424.2 secs Computing kpt #: 288 total cpu time spent up to now is 425.3 secs Computing kpt #: 289 total cpu time spent up to now is 426.5 secs Computing kpt #: 290 total cpu time spent up to now is 427.8 secs Computing kpt #: 291 total cpu time spent up to now is 428.9 secs Computing kpt #: 292 total cpu time spent up to now is 430.1 secs Computing kpt #: 293 total cpu time spent up to now is 431.5 secs Computing kpt #: 294 total cpu time spent up to now is 432.6 secs Computing kpt #: 295 total cpu time spent up to now is 433.9 secs Computing kpt #: 296 total cpu time spent up to now is 435.2 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 438.0 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 441.1 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 443.8 secs Computing kpt #: 300 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 446.5 secs Computing kpt #: 301 total cpu time spent up to now is 448.8 secs Computing kpt #: 302 total cpu time spent up to now is 450.8 secs Computing kpt #: 303 total cpu time spent up to now is 452.8 secs Computing kpt #: 304 total cpu time spent up to now is 454.6 secs Computing kpt #: 305 total cpu time spent up to now is 456.0 secs Computing kpt #: 306 total cpu time spent up to now is 457.5 secs Computing kpt #: 307 total cpu time spent up to now is 459.3 secs Computing kpt #: 308 total cpu time spent up to now is 460.7 secs Computing kpt #: 309 total cpu time spent up to now is 462.5 secs Computing kpt #: 310 total cpu time spent up to now is 464.2 secs Computing kpt #: 311 total cpu time spent up to now is 466.4 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 469.1 secs Computing kpt #: 313 total cpu time spent up to now is 470.6 secs Computing kpt #: 314 total cpu time spent up to now is 472.3 secs Computing kpt #: 315 total cpu time spent up to now is 473.7 secs Computing kpt #: 316 total cpu time spent up to now is 475.0 secs Computing kpt #: 317 total cpu time spent up to now is 476.5 secs Computing kpt #: 318 total cpu time spent up to now is 478.1 secs Computing kpt #: 319 total cpu time spent up to now is 479.4 secs Computing kpt #: 320 total cpu time spent up to now is 481.0 secs ethr = 2.78E-11, avg # of iterations = 33.1 total cpu time spent up to now is 481.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3021 PWs) bands (ev): -7.8819 -7.8819 -7.8659 -7.8659 -7.8632 -7.8632 -7.8543 -7.8543 -7.0898 -7.0898 -7.0709 -7.0709 -7.0122 -7.0122 -6.9940 -6.9940 -6.9862 -6.9862 -6.9436 -6.9436 -4.6293 -4.6293 -3.0179 -3.0179 1.0590 1.0590 5.7864 5.7864 5.8971 5.8971 6.5896 6.5896 6.8014 6.8014 6.8528 6.8528 7.4014 7.4014 8.1390 8.1390 10.5302 10.5302 10.9466 10.9466 k = 0.0114 0.0066-0.0000 ( 3029 PWs) bands (ev): -7.8841 -7.8799 -7.8659 -7.8659 -7.8634 -7.8629 -7.8543 -7.8543 -7.0939 -7.0856 -7.0711 -7.0707 -7.0135 -7.0110 -6.9940 -6.9939 -6.9862 -6.9862 -6.9437 -6.9437 -4.6280 -4.6279 -3.0172 -3.0166 1.0594 1.0601 5.7744 5.7841 5.8898 5.8902 6.5847 6.5892 6.7777 6.7903 6.8395 6.8411 7.4257 7.4319 8.1463 8.1538 10.5298 10.5319 10.9452 10.9452 k = 0.0227 0.0131-0.0000 ( 3037 PWs) bands (ev): -7.8865 -7.8781 -7.8658 -7.8658 -7.8636 -7.8627 -7.8541 -7.8539 -7.0981 -7.0815 -7.0714 -7.0705 -7.0146 -7.0096 -6.9940 -6.9938 -6.9863 -6.9863 -6.9438 -6.9438 -4.6241 -4.6240 -3.0146 -3.0133 1.0613 1.0627 5.7456 5.7664 5.8699 5.8727 6.5701 6.5849 6.7079 6.7365 6.8254 6.8277 7.4929 7.5037 8.1752 8.1896 10.5303 10.5348 10.9412 10.9414 k = 0.0341 0.0197-0.0000 ( 3041 PWs) bands (ev): -7.8890 -7.8768 -7.8658 -7.8657 -7.8637 -7.8623 -7.8538 -7.8534 -7.1022 -7.0774 -7.0718 -7.0704 -7.0157 -7.0083 -6.9940 -6.9936 -6.9865 -6.9864 -6.9439 -6.9439 -4.6176 -4.6174 -3.0100 -3.0082 1.0646 1.0667 5.6968 5.7288 5.8440 5.8501 6.5312 6.5771 6.6069 6.6690 6.8161 6.8172 7.5829 7.5968 8.2236 8.2440 10.5308 10.5386 10.9349 10.9360 k = 0.0455 0.0262-0.0000 ( 3045 PWs) bands (ev): -7.8916 -7.8757 -7.8657 -7.8656 -7.8638 -7.8620 -7.8534 -7.8524 -7.1064 -7.0734 -7.0721 -7.0704 -7.0168 -7.0069 -6.9939 -6.9934 -6.9867 -6.9865 -6.9441 -6.9441 -4.6085 -4.6082 -3.0035 -3.0011 1.0693 1.0721 5.6279 5.6686 5.8176 5.8257 6.4485 6.4893 6.5673 6.6262 6.8058 6.8059 7.6826 7.6990 8.2888 8.3138 10.5300 10.5422 10.9280 10.9306 k = 0.0568 0.0328-0.0000 ( 3045 PWs) bands (ev): -7.8942 -7.8751 -7.8657 -7.8655 -7.8639 -7.8616 -7.8529 -7.8512 -7.1104 -7.0728 -7.0703 -7.0692 -7.0177 -7.0055 -6.9937 -6.9932 -6.9870 -6.9866 -6.9443 -6.9443 -4.5968 -4.5965 -2.9951 -2.9921 1.0754 1.0790 5.5418 5.5886 5.7912 5.7997 6.3351 6.3637 6.5539 6.6026 6.7925 6.7933 7.7857 7.8041 8.3673 8.3953 10.5266 10.5442 10.9226 10.9277 k = 0.0682 0.0394-0.0000 ( 3049 PWs) bands (ev): -7.8968 -7.8747 -7.8657 -7.8654 -7.8641 -7.8611 -7.8524 -7.8496 -7.1144 -7.0733 -7.0703 -7.0653 -7.0186 -7.0042 -6.9935 -6.9930 -6.9873 -6.9866 -6.9446 -6.9445 -4.5825 -4.5821 -2.9848 -2.9813 1.0829 1.0871 5.4425 5.4938 5.7634 5.7716 6.2086 6.2326 6.5378 6.5840 6.7768 6.7783 7.8889 7.9090 8.4555 8.4852 10.5197 10.5431 10.9217 10.9297 k = 0.0795 0.0459-0.0000 ( 3050 PWs) bands (ev): -7.8994 -7.8745 -7.8657 -7.8654 -7.8643 -7.8607 -7.8518 -7.8477 -7.1184 -7.0740 -7.0703 -7.0614 -7.0194 -7.0028 -6.9932 -6.9928 -6.9877 -6.9866 -6.9450 -6.9448 -4.5658 -4.5652 -2.9726 -2.9687 1.0917 1.0965 5.3332 5.3879 5.7332 5.7410 6.0758 6.0980 6.5190 6.5656 6.7587 6.7607 7.9904 8.0119 8.5498 8.5797 10.5092 10.5384 10.9277 10.9382 k = 0.0909 0.0525-0.0000 ( 3052 PWs) bands (ev): -7.9019 -7.8745 -7.8658 -7.8654 -7.8646 -7.8602 -7.8511 -7.8457 -7.1222 -7.0747 -7.0703 -7.0577 -7.0202 -7.0016 -6.9929 -6.9926 -6.9881 -6.9865 -6.9454 -6.9451 -4.5465 -4.5458 -2.9586 -2.9542 1.1016 1.1071 5.2165 5.2740 5.7004 5.7077 5.9394 5.9610 6.4973 6.5457 6.7382 6.7407 8.0891 8.1118 8.6470 8.6755 10.4966 10.5303 10.9417 10.9536 k = 0.1023 0.0590-0.0000 ( 3066 PWs) bands (ev): -7.9044 -7.8747 -7.8659 -7.8654 -7.8650 -7.8597 -7.8504 -7.8435 -7.1259 -7.0755 -7.0703 -7.0540 -7.0209 -7.0005 -6.9926 -6.9924 -6.9885 -6.9862 -6.9458 -6.9454 -4.5247 -4.5238 -2.9428 -2.9380 1.1127 1.1187 5.0947 5.1545 5.6650 5.6717 5.8008 5.8222 6.4729 6.5237 6.7154 6.7183 8.1846 8.2079 8.7437 8.7694 10.4843 10.5209 10.9637 10.9751 k = 0.1136 0.0656-0.0000 ( 3070 PWs) bands (ev): -7.9069 -7.8750 -7.8660 -7.8656 -7.8651 -7.8591 -7.8497 -7.8412 -7.1296 -7.0765 -7.0703 -7.0505 -7.0214 -6.9995 -6.9922 -6.9921 -6.9888 -6.9858 -6.9463 -6.9457 -4.5004 -4.4994 -2.9253 -2.9202 1.1247 1.1313 4.9694 5.0311 5.6269 5.6311 5.6630 5.6825 6.4456 6.4993 6.6905 6.6936 8.2763 8.2998 8.8368 8.8581 10.4755 10.5131 10.9926 11.0016 k = 0.1250 0.0722-0.0000 ( 3066 PWs) bands (ev): -7.9093 -7.8753 -7.8661 -7.8661 -7.8651 -7.8586 -7.8489 -7.8389 -7.1331 -7.0775 -7.0703 -7.0471 -7.0220 -6.9988 -6.9920 -6.9917 -6.9890 -6.9852 -6.9467 -6.9460 -4.4738 -4.4725 -2.9061 -2.9007 1.1376 1.1447 4.8419 4.9053 5.5169 5.5400 5.5886 5.5957 6.4156 6.4722 6.6636 6.6669 8.3640 8.3874 8.9231 8.9383 10.4734 10.5101 11.0267 11.0313 k = 0.1364 0.0787-0.0000 ( 3070 PWs) bands (ev): -7.9116 -7.8758 -7.8667 -7.8663 -7.8650 -7.8580 -7.8481 -7.8367 -7.1364 -7.0786 -7.0703 -7.0438 -7.0224 -6.9984 -6.9919 -6.9912 -6.9890 -6.9844 -6.9473 -6.9463 -4.4448 -4.4433 -2.8853 -2.8797 1.1511 1.1588 4.7135 4.7783 5.3756 5.3990 5.5466 5.5533 6.3827 6.4424 6.6349 6.6382 8.4475 8.4702 8.9996 9.0073 10.4809 10.5151 11.0622 11.0644 k = 0.1477 0.0853-0.0000 ( 3074 PWs) bands (ev): -7.9138 -7.8764 -7.8672 -7.8665 -7.8649 -7.8575 -7.8473 -7.8344 -7.1397 -7.0798 -7.0703 -7.0407 -7.0228 -6.9984 -6.9920 -6.9906 -6.9887 -6.9835 -6.9478 -6.9466 -4.4134 -4.4117 -2.8629 -2.8572 1.1652 1.1733 4.5851 4.6512 5.2334 5.2573 5.5035 5.5100 6.3471 6.4098 6.6045 6.6079 8.5267 8.5482 9.0627 9.0641 10.5002 10.5302 11.0922 11.1038 k = 0.1591 0.0919-0.0000 ( 3076 PWs) bands (ev): -7.9160 -7.8771 -7.8678 -7.8667 -7.8647 -7.8569 -7.8464 -7.8322 -7.1427 -7.0811 -7.0702 -7.0379 -7.0231 -6.9985 -6.9922 -6.9898 -6.9881 -6.9825 -6.9483 -6.9468 -4.3798 -4.3777 -2.8391 -2.8333 1.1796 1.1881 4.4576 4.5249 5.0913 5.1155 5.4592 5.4656 6.3087 6.3744 6.5726 6.5761 8.6015 8.6212 9.1034 9.1148 10.5321 10.5569 11.1190 11.1431 k = 0.1705 0.0984-0.0000 ( 3082 PWs) bands (ev): -7.9180 -7.8780 -7.8683 -7.8670 -7.8645 -7.8564 -7.8455 -7.8302 -7.1456 -7.0826 -7.0701 -7.0352 -7.0234 -6.9988 -6.9925 -6.9889 -6.9874 -6.9814 -6.9488 -6.9470 -4.3439 -4.3416 -2.8140 -2.8082 1.1941 1.2029 4.3318 4.4002 4.9494 4.9740 5.4141 5.4204 6.2675 6.3360 6.5395 6.5430 8.6720 8.6891 9.1294 9.1515 10.5760 10.5948 11.1401 11.1799 k = 0.1818 0.1050-0.0000 ( 3076 PWs) bands (ev): -7.9200 -7.8789 -7.8688 -7.8672 -7.8643 -7.8558 -7.8446 -7.8282 -7.1483 -7.0841 -7.0700 -7.0328 -7.0237 -6.9993 -6.9926 -6.9881 -6.9865 -6.9803 -6.9494 -6.9471 -4.3059 -4.3032 -2.7876 -2.7819 1.2083 1.2175 4.2084 4.2777 4.8081 4.8330 5.3685 5.3746 6.2236 6.2948 6.5054 6.5089 8.7381 8.7517 9.1420 9.1750 10.6296 10.6420 11.1531 11.2110 k = 0.1932 0.1115-0.0000 ( 3072 PWs) bands (ev): -7.9219 -7.8800 -7.8693 -7.8675 -7.8640 -7.8553 -7.8437 -7.8263 -7.1508 -7.0857 -7.0699 -7.0306 -7.0239 -6.9998 -6.9927 -6.9872 -6.9855 -6.9791 -6.9499 -6.9471 -4.2657 -4.2628 -2.7602 -2.7545 1.2221 1.2315 4.0880 4.1583 4.6677 4.6928 5.3225 5.3286 6.1771 6.2508 6.4705 6.4740 8.7998 8.8087 9.1433 9.1873 10.6898 10.6948 11.1570 11.2326 k = 0.2045 0.1181-0.0000 ( 3080 PWs) bands (ev): -7.9237 -7.8813 -7.8697 -7.8678 -7.8638 -7.8548 -7.8428 -7.8245 -7.1531 -7.0874 -7.0697 -7.0288 -7.0240 -7.0004 -6.9927 -6.9864 -6.9844 -6.9779 -6.9504 -6.9471 -4.2235 -4.2203 -2.7317 -2.7263 1.2351 1.2447 3.9714 4.0426 4.5284 4.5537 5.2764 5.2825 6.1281 6.2040 6.4349 6.4384 8.8569 8.8596 9.1356 9.1908 10.7487 10.7524 11.1526 11.2433 k = 0.2159 0.1247-0.0000 ( 3088 PWs) bands (ev): -7.9253 -7.8827 -7.8701 -7.8680 -7.8635 -7.8543 -7.8418 -7.8229 -7.1552 -7.0892 -7.0695 -7.0275 -7.0240 -7.0010 -6.9925 -6.9855 -6.9832 -6.9767 -6.9509 -6.9469 -4.1794 -4.1758 -2.7025 -2.6973 1.2468 1.2566 3.8591 3.9310 4.3906 4.4159 5.2305 5.2365 6.0766 6.1545 6.3990 6.4025 8.9038 8.9094 9.1215 9.1888 10.7981 10.8131 11.1427 11.2476 k = 0.2273 0.1312-0.0000 ( 3088 PWs) bands (ev): -7.9269 -7.8842 -7.8704 -7.8683 -7.8631 -7.8538 -7.8409 -7.8214 -7.1571 -7.0911 -7.0692 -7.0270 -7.0234 -7.0016 -6.9922 -6.9848 -6.9819 -6.9756 -6.9513 -6.9467 -4.1333 -4.1294 -2.6727 -2.6677 1.2570 1.2669 3.7516 3.8243 4.2547 4.2800 5.1850 5.1910 6.0229 6.1024 6.3630 6.3665 8.9400 8.9567 9.1033 9.1845 10.8374 10.8669 11.1313 11.2526 k = 0.2386 0.1378-0.0000 ( 3088 PWs) bands (ev): -7.9284 -7.8858 -7.8707 -7.8686 -7.8628 -7.8534 -7.8399 -7.8200 -7.1588 -7.0931 -7.0688 -7.0270 -7.0225 -7.0023 -6.9917 -6.9840 -6.9805 -6.9745 -6.9517 -6.9464 -4.0855 -4.0812 -2.6424 -2.6378 1.2653 1.2752 3.6494 3.7226 4.1211 4.1464 5.1401 5.1460 5.9670 6.0478 6.3270 6.3305 8.9664 8.9973 9.0846 9.1813 10.8620 10.9072 11.1244 11.2637 k = 0.2500 0.1443-0.0000 ( 3096 PWs) bands (ev): -7.9297 -7.8875 -7.8709 -7.8689 -7.8624 -7.8530 -7.8390 -7.8188 -7.1602 -7.0952 -7.0684 -7.0274 -7.0216 -7.0029 -6.9912 -6.9833 -6.9790 -6.9735 -6.9521 -6.9459 -4.0360 -4.0313 -2.6119 -2.6076 1.2712 1.2811 3.5528 3.6264 3.9904 4.0157 5.0959 5.1018 5.9091 5.9910 6.2912 6.2948 8.9815 9.0215 9.0759 9.1824 10.8704 10.9269 11.1291 11.2827 k = 0.2614 0.1509-0.0000 ( 3094 PWs) bands (ev): -7.9310 -7.8893 -7.8712 -7.8693 -7.8620 -7.8526 -7.8380 -7.8177 -7.1615 -7.0973 -7.0680 -7.0280 -7.0206 -7.0036 -6.9905 -6.9826 -6.9775 -6.9725 -6.9523 -6.9454 -3.9849 -3.9799 -2.5814 -2.5775 1.2744 1.2842 3.4618 3.5353 3.8634 3.8890 5.0527 5.0585 5.8495 5.9321 6.2559 6.2594 8.9850 9.0136 9.0942 9.1892 10.8642 10.9241 11.1480 11.3082 k = 0.2727 0.1575-0.0000 ( 3094 PWs) bands (ev): -7.9321 -7.8911 -7.8714 -7.8696 -7.8616 -7.8522 -7.8371 -7.8167 -7.1625 -7.0995 -7.0675 -7.0287 -7.0198 -7.0042 -6.9897 -6.9820 -6.9760 -6.9716 -6.9525 -6.9448 -3.9323 -3.9270 -2.5511 -2.5477 1.2745 1.2843 3.3760 3.4486 3.7416 3.7678 5.0106 5.0164 5.7883 5.8714 6.2211 6.2247 8.9790 8.9921 9.1219 9.2007 10.8471 10.9050 11.1761 11.3375 k = 0.2841 0.1640-0.0000 ( 3098 PWs) bands (ev): -7.9331 -7.8931 -7.8716 -7.8699 -7.8612 -7.8519 -7.8361 -7.8159 -7.1633 -7.1017 -7.0670 -7.0295 -7.0190 -7.0048 -6.9889 -6.9814 -6.9745 -6.9708 -6.9526 -6.9441 -3.8784 -3.8728 -2.5214 -2.5184 1.2714 1.2811 3.2941 3.3647 3.6266 3.6546 4.9697 4.9754 5.7258 5.8090 6.1872 6.1908 8.9665 8.9680 9.1484 9.2144 10.8224 10.8764 11.2080 11.3686 k = 0.2955 0.1706-0.0000 ( 3098 PWs) bands (ev): -7.9340 -7.8950 -7.8718 -7.8702 -7.8607 -7.8516 -7.8352 -7.8153 -7.1639 -7.1040 -7.0664 -7.0304 -7.0184 -7.0054 -6.9880 -6.9808 -6.9731 -6.9701 -6.9526 -6.9434 -3.8233 -3.8174 -2.4926 -2.4900 1.2650 1.2746 3.2140 3.2807 3.5214 3.5526 4.9302 4.9359 5.6622 5.7452 6.1541 6.1577 8.9438 8.9501 9.1719 9.2283 10.7929 10.8427 11.2411 11.4002 k = 0.3068 0.1771-0.0000 ( 3092 PWs) bands (ev): -7.9347 -7.8971 -7.8719 -7.8705 -7.8603 -7.8513 -7.8342 -7.8147 -7.1643 -7.1063 -7.0657 -7.0313 -7.0177 -7.0060 -6.9870 -6.9803 -6.9718 -6.9694 -6.9524 -6.9426 -3.7672 -3.7611 -2.4648 -2.4627 1.2552 1.2648 3.1324 3.1929 3.4297 3.4660 4.8922 4.8979 5.5979 5.6804 6.1222 6.1257 8.9203 8.9319 9.1922 9.2411 10.7603 10.8062 11.2747 11.4321 k = 0.3182 0.1837-0.0000 ( 3092 PWs) bands (ev): -7.9354 -7.8991 -7.8721 -7.8708 -7.8598 -7.8511 -7.8333 -7.8143 -7.1645 -7.1087 -7.0651 -7.0323 -7.0172 -7.0066 -6.9860 -6.9797 -6.9706 -6.9689 -6.9521 -6.9418 -3.7103 -3.7039 -2.4385 -2.4368 1.2424 1.2520 3.0461 3.0991 3.3548 3.3972 4.8558 4.8615 5.5332 5.6148 6.0914 6.0949 8.8977 8.9128 9.2092 9.2522 10.7260 10.7683 11.3088 11.4633 k = 0.3295 0.1903-0.0000 ( 3096 PWs) bands (ev): -7.9359 -7.9012 -7.8722 -7.8710 -7.8593 -7.8509 -7.8323 -7.8140 -7.1645 -7.1111 -7.0643 -7.0334 -7.0167 -7.0071 -6.9850 -6.9792 -6.9696 -6.9683 -6.9516 -6.9410 -3.6527 -3.6461 -2.4140 -2.4126 1.2270 1.2366 2.9541 2.9998 3.2978 3.3459 4.8212 4.8268 5.4685 5.5487 6.0619 6.0654 8.8763 8.8937 9.2233 9.2613 10.6911 10.7300 11.3431 11.4921 k = 0.3409 0.1968-0.0000 ( 3100 PWs) bands (ev): -7.9363 -7.9033 -7.8724 -7.8713 -7.8589 -7.8508 -7.8314 -7.8138 -7.1643 -7.1136 -7.0636 -7.0344 -7.0163 -7.0077 -6.9840 -6.9788 -6.9687 -6.9679 -6.9509 -6.9402 -3.5948 -3.5880 -2.3916 -2.3906 1.2096 1.2191 2.8577 2.8973 3.2575 3.3095 4.7883 4.7939 5.4040 5.4826 6.0339 6.0373 8.8563 8.8750 9.2345 9.2684 10.6564 10.6921 11.3771 11.5143 k = 0.3523 0.2034-0.0000 ( 3092 PWs) bands (ev): -7.9366 -7.9054 -7.8725 -7.8716 -7.8584 -7.8507 -7.8305 -7.8137 -7.1640 -7.1160 -7.0627 -7.0355 -7.0159 -7.0082 -6.9830 -6.9783 -6.9681 -6.9675 -6.9501 -6.9394 -3.5367 -3.5299 -2.3716 -2.3708 1.1908 1.2002 2.7592 2.7941 3.2310 3.2853 4.7574 4.7629 5.3402 5.4168 6.0075 6.0107 8.8377 8.8569 9.2433 9.2735 10.6224 10.6551 11.4098 11.5269 k = 0.3636 0.2099-0.0000 ( 3092 PWs) bands (ev): -7.9367 -7.9075 -7.8726 -7.8718 -7.8579 -7.8506 -7.8296 -7.8137 -7.1634 -7.1184 -7.0619 -7.0366 -7.0155 -7.0086 -6.9820 -6.9779 -6.9676 -6.9671 -6.9491 -6.9387 -3.4788 -3.4720 -2.3543 -2.3538 1.1716 1.1808 2.6609 2.6919 3.2159 3.2710 4.7285 4.7338 5.2777 5.3518 5.9826 5.9857 8.8205 8.8398 9.2499 9.2769 10.5897 10.6195 11.4391 11.5323 k = 0.3750 0.2165-0.0000 ( 3082 PWs) bands (ev): -7.9368 -7.9096 -7.8727 -7.8721 -7.8574 -7.8506 -7.8287 -7.8139 -7.1627 -7.1209 -7.0610 -7.0377 -7.0152 -7.0091 -6.9810 -6.9775 -6.9673 -6.9669 -6.9480 -6.9380 -3.4215 -3.4147 -2.3399 -2.3395 1.1527 1.1617 2.5645 2.5924 3.2099 3.2647 4.7016 4.7069 5.2168 5.2880 5.9595 5.9624 8.8048 8.8236 9.2548 9.2788 10.5587 10.5858 11.4633 11.5336 k = 0.3864 0.2231-0.0000 ( 3090 PWs) bands (ev): -7.9367 -7.9117 -7.8729 -7.8723 -7.8569 -7.8506 -7.8278 -7.8141 -7.1619 -7.1233 -7.0601 -7.0388 -7.0149 -7.0095 -6.9800 -6.9771 -6.9671 -6.9667 -6.9468 -6.9374 -3.3652 -3.3585 -2.3286 -2.3284 1.1349 1.1435 2.4714 2.4965 3.2112 3.2648 4.6768 4.6820 5.1581 5.2259 5.9381 5.9408 8.7905 8.8086 9.2580 9.2793 10.5296 10.5540 11.4810 11.5327 k = 0.3977 0.2296-0.0000 ( 3090 PWs) bands (ev): -7.9364 -7.9137 -7.8730 -7.8725 -7.8564 -7.8507 -7.8269 -7.8144 -7.1608 -7.1258 -7.0592 -7.0400 -7.0146 -7.0099 -6.9791 -6.9767 -6.9670 -6.9665 -6.9456 -6.9369 -3.3103 -3.3037 -2.3205 -2.3203 1.1189 1.1270 2.3826 2.4052 3.2182 3.2698 4.6542 4.6593 5.1022 5.1660 5.9186 5.9211 8.7778 8.7948 9.2601 9.2788 10.5029 10.5247 11.4927 11.5305 k = 0.4091 0.2362-0.0000 ( 3088 PWs) bands (ev): -7.9361 -7.9157 -7.8731 -7.8727 -7.8560 -7.8508 -7.8260 -7.8147 -7.1597 -7.1282 -7.0582 -7.0411 -7.0144 -7.0103 -6.9782 -6.9763 -6.9670 -6.9664 -6.9444 -6.9365 -3.2574 -3.2511 -2.3155 -2.3154 1.1052 1.1127 2.2992 2.3193 3.2297 3.2784 4.6338 4.6388 5.0497 5.1089 5.9010 5.9033 8.7665 8.7822 9.2613 9.2776 10.4787 10.4979 11.4998 11.5277 k = 0.4205 0.2427-0.0000 ( 3086 PWs) bands (ev): -7.9356 -7.9176 -7.8732 -7.8728 -7.8555 -7.8509 -7.8252 -7.8151 -7.1584 -7.1306 -7.0573 -7.0422 -7.0142 -7.0107 -6.9774 -6.9759 -6.9671 -6.9664 -6.9432 -6.9362 -3.2072 -3.2013 -2.3135 -2.3133 1.0942 1.1009 2.2220 2.2397 3.2441 3.2893 4.6158 4.6205 5.0014 5.0554 5.8854 5.8875 8.7568 8.7708 9.2618 9.2759 10.4571 10.4739 11.5037 11.5245 k = 0.4318 0.2493-0.0000 ( 3094 PWs) bands (ev): -7.9350 -7.9195 -7.8732 -7.8730 -7.8550 -7.8510 -7.8243 -7.8156 -7.1570 -7.1330 -7.0563 -7.0434 -7.0140 -7.0110 -6.9766 -6.9756 -6.9671 -6.9664 -6.9421 -6.9359 -3.1604 -3.1550 -2.3141 -2.3139 1.0860 1.0918 2.1520 2.1674 3.2605 3.3013 4.6001 4.6045 4.9580 5.0061 5.8718 5.8736 8.7484 8.7608 9.2619 9.2738 10.4384 10.4527 11.5057 11.5213 k = 0.4432 0.2559-0.0000 ( 3094 PWs) bands (ev): -7.9343 -7.9213 -7.8733 -7.8731 -7.8546 -7.8512 -7.8235 -7.8162 -7.1554 -7.1353 -7.0552 -7.0445 -7.0137 -7.0114 -6.9759 -6.9753 -6.9672 -6.9664 -6.9410 -6.9358 -3.1180 -3.1131 -2.3168 -2.3165 1.0804 1.0853 2.0903 2.1033 3.2775 3.3132 4.5868 4.5908 4.9203 4.9617 5.8603 5.8618 8.7416 8.7521 9.2618 9.2716 10.4225 10.4344 11.5065 11.5182 k = 0.4545 0.2624-0.0000 ( 3082 PWs) bands (ev): -7.9335 -7.9230 -7.8734 -7.8732 -7.8542 -7.8514 -7.8226 -7.8168 -7.1538 -7.1376 -7.0542 -7.0456 -7.0135 -7.0117 -6.9754 -6.9750 -6.9673 -6.9665 -6.9400 -6.9358 -3.0809 -3.0768 -2.3208 -2.3205 1.0772 1.0811 2.0379 2.0484 3.2941 3.3239 4.5759 4.5794 4.8889 4.9231 5.8508 5.8520 8.7362 8.7447 9.2616 9.2694 10.4097 10.4192 11.5067 11.5153 k = 0.4659 0.2690-0.0000 ( 3086 PWs) bands (ev): -7.9325 -7.9246 -7.8734 -7.8733 -7.8537 -7.8517 -7.8218 -7.8174 -7.1520 -7.1399 -7.0532 -7.0467 -7.0133 -7.0119 -6.9749 -6.9747 -6.9673 -6.9666 -6.9391 -6.9359 -3.0502 -3.0470 -2.3254 -2.3250 1.0757 1.0787 1.9959 2.0039 3.3093 3.3324 4.5676 4.5704 4.8648 4.8910 5.8435 5.8444 8.7323 8.7388 9.2616 9.2674 10.4000 10.4071 11.5068 11.5128 k = 0.4773 0.2756-0.0000 ( 3092 PWs) bands (ev): -7.9315 -7.9262 -7.8734 -7.8734 -7.8533 -7.8520 -7.8210 -7.8181 -7.1502 -7.1421 -7.0521 -7.0478 -7.0131 -7.0122 -6.9746 -6.9745 -6.9673 -6.9668 -6.9383 -6.9362 -3.0271 -3.0248 -2.3295 -2.3292 1.0755 1.0775 1.9653 1.9707 3.3220 3.3379 4.5617 4.5637 4.8483 4.8661 5.8382 5.8388 8.7298 8.7341 9.2617 9.2656 10.3932 10.3980 11.5069 11.5107 k = 0.4886 0.2821-0.0000 ( 3086 PWs) bands (ev): -7.9303 -7.9277 -7.8734 -7.8734 -7.8530 -7.8523 -7.8202 -7.8188 -7.1483 -7.1442 -7.0510 -7.0489 -7.0129 -7.0124 -6.9744 -6.9744 -6.9672 -6.9669 -6.9376 -6.9365 -3.0125 -3.0113 -2.3324 -2.3322 1.0758 1.0768 1.9472 1.9499 3.3317 3.3398 4.5585 4.5595 4.8401 4.8491 5.8352 5.8355 8.7287 8.7309 9.2622 9.2641 10.3897 10.3921 11.5072 11.5091 k = 0.5000 0.2887-0.0000 ( 3082 PWs) bands (ev): -7.9290 -7.9290 -7.8734 -7.8734 -7.8526 -7.8526 -7.8195 -7.8195 -7.1463 -7.1463 -7.0500 -7.0500 -7.0127 -7.0127 -6.9743 -6.9743 -6.9671 -6.9671 -6.9370 -6.9370 -3.0071 -3.0071 -2.3333 -2.3333 1.0763 1.0763 1.9419 1.9419 3.3377 3.3377 4.5577 4.5577 4.8404 4.8404 5.8342 5.8342 8.7291 8.7291 9.2630 9.2630 10.3893 10.3893 11.5080 11.5080 k = 0.5000 0.2887-0.0000 ( 3082 PWs) bands (ev): -7.9290 -7.9290 -7.8734 -7.8734 -7.8526 -7.8526 -7.8195 -7.8195 -7.1463 -7.1463 -7.0500 -7.0500 -7.0127 -7.0127 -6.9743 -6.9743 -6.9671 -6.9671 -6.9370 -6.9370 -3.0071 -3.0071 -2.3333 -2.3333 1.0763 1.0763 1.9419 1.9419 3.3377 3.3377 4.5577 4.5577 4.8404 4.8404 5.8342 5.8342 8.7291 8.7291 9.2630 9.2630 10.3893 10.3893 11.5080 11.5080 k = 0.4936 0.2998-0.0000 ( 3086 PWs) bands (ev): -7.9292 -7.9290 -7.8761 -7.8708 -7.8526 -7.8525 -7.8196 -7.8194 -7.1512 -7.1414 -7.0523 -7.0477 -7.0134 -7.0120 -6.9750 -6.9736 -6.9672 -6.9669 -6.9376 -6.9364 -3.0063 -3.0061 -2.3332 -2.3331 1.0772 1.0772 1.9418 1.9420 3.3372 3.3394 4.5474 4.5565 4.8388 4.8406 5.8268 5.8281 8.7362 8.7414 9.2709 9.2712 10.3840 10.3847 11.4995 11.5187 k = 0.4872 0.3109-0.0000 ( 3094 PWs) bands (ev): -7.9293 -7.9289 -7.8787 -7.8681 -7.8525 -7.8522 -7.8197 -7.8193 -7.1561 -7.1365 -7.0545 -7.0454 -7.0141 -7.0113 -6.9758 -6.9729 -6.9674 -6.9668 -6.9383 -6.9360 -3.0036 -3.0031 -2.3327 -2.3326 1.0798 1.0798 1.9415 1.9420 3.3378 3.3421 4.5259 4.5440 4.8358 4.8393 5.8061 5.8086 8.7625 8.7726 9.2949 9.2953 10.3688 10.3706 11.4942 11.5311 k = 0.4808 0.3220-0.0000 ( 3096 PWs) bands (ev): -7.9295 -7.9289 -7.8813 -7.8655 -7.8523 -7.8518 -7.8198 -7.8192 -7.1610 -7.1316 -7.0568 -7.0431 -7.0149 -7.0107 -6.9765 -6.9723 -6.9675 -6.9666 -6.9391 -6.9356 -2.9989 -2.9983 -2.3318 -2.3317 1.0841 1.0842 1.9410 1.9418 3.3393 3.3460 4.4938 4.5207 4.8315 4.8368 5.7729 5.7764 8.8074 8.8222 9.3339 9.3344 10.3442 10.3474 11.4932 11.5451 k = 0.4744 0.3331-0.0000 ( 3092 PWs) bands (ev): -7.9298 -7.9290 -7.8839 -7.8630 -7.8518 -7.8514 -7.8199 -7.8191 -7.1658 -7.1268 -7.0589 -7.0408 -7.0157 -7.0101 -6.9772 -6.9716 -6.9677 -6.9665 -6.9399 -6.9353 -2.9924 -2.9916 -2.3307 -2.3305 1.0901 1.0902 1.9404 1.9414 3.3416 3.3508 4.4523 4.4878 4.8259 4.8328 5.7284 5.7328 8.8701 8.8890 9.3868 9.3870 10.3107 10.3160 11.4976 11.5613 k = 0.4679 0.3442-0.0000 ( 3096 PWs) bands (ev): -7.9300 -7.9290 -7.8864 -7.8607 -7.8510 -7.8509 -7.8200 -7.8190 -7.1705 -7.1220 -7.0610 -7.0385 -7.0166 -7.0095 -6.9779 -6.9710 -6.9679 -6.9663 -6.9408 -6.9352 -2.9840 -2.9830 -2.3294 -2.3292 1.0978 1.0980 1.9395 1.9407 3.3445 3.3564 4.4028 4.4466 4.8189 4.8275 5.6741 5.6792 8.9492 8.9715 9.4513 9.4515 10.2694 10.2774 11.5083 11.5801 k = 0.4615 0.3553-0.0000 ( 3090 PWs) bands (ev): -7.9303 -7.9291 -7.8889 -7.8587 -7.8503 -7.8500 -7.8201 -7.8188 -7.1752 -7.1174 -7.0631 -7.0363 -7.0175 -7.0090 -6.9785 -6.9704 -6.9680 -6.9661 -6.9417 -6.9351 -2.9738 -2.9726 -2.3278 -2.3276 1.1072 1.1074 1.9383 1.9396 3.3476 3.3625 4.3469 4.3989 4.8105 4.8207 5.6116 5.6172 9.0434 9.0685 9.5251 9.5261 10.2217 10.2329 11.5259 11.6026 k = 0.4551 0.3664-0.0000 ( 3090 PWs) bands (ev): -7.9305 -7.9293 -7.8913 -7.8570 -7.8496 -7.8485 -7.8202 -7.8187 -7.1798 -7.1128 -7.0650 -7.0342 -7.0184 -7.0085 -6.9791 -6.9699 -6.9682 -6.9658 -6.9426 -6.9351 -2.9618 -2.9604 -2.3263 -2.3260 1.1183 1.1185 1.9365 1.9380 3.3504 3.3686 4.2866 4.3466 4.8006 4.8124 5.5428 5.5484 9.1510 9.1781 9.6058 9.6082 10.1693 10.1841 11.5509 11.6295 k = 0.4487 0.3775-0.0000 ( 3090 PWs) bands (ev): -7.9308 -7.9294 -7.8937 -7.8557 -7.8490 -7.8467 -7.8203 -7.8186 -7.1842 -7.1083 -7.0669 -7.0322 -7.0194 -7.0080 -6.9797 -6.9694 -6.9684 -6.9655 -6.9436 -6.9351 -2.9480 -2.9464 -2.3247 -2.3244 1.1310 1.1313 1.9341 1.9358 3.3524 3.3743 4.2238 4.2916 4.7892 4.8025 5.4691 5.4745 9.2705 9.2989 9.6903 9.6947 10.1146 10.1333 11.5838 11.6618 k = 0.4423 0.3886-0.0000 ( 3090 PWs) bands (ev): -7.9310 -7.9296 -7.8960 -7.8546 -7.8483 -7.8446 -7.8204 -7.8184 -7.1885 -7.1039 -7.0687 -7.0302 -7.0205 -7.0077 -6.9802 -6.9690 -6.9686 -6.9651 -6.9445 -6.9353 -2.9326 -2.9307 -2.3233 -2.3230 1.1452 1.1456 1.9308 1.9326 3.3528 3.3786 4.1608 4.2362 4.7762 4.7910 5.3922 5.3971 9.4001 9.4290 9.7731 9.7805 10.0618 10.0854 11.6248 11.7001 k = 0.4359 0.3997-0.0000 ( 3102 PWs) bands (ev): -7.9312 -7.9298 -7.8982 -7.8537 -7.8476 -7.8423 -7.8205 -7.8183 -7.1926 -7.0996 -7.0704 -7.0283 -7.0216 -7.0074 -6.9806 -6.9687 -6.9687 -6.9647 -6.9455 -6.9355 -2.9154 -2.9134 -2.3221 -2.3218 1.1610 1.1614 1.9266 1.9285 3.3508 3.3806 4.0999 4.1826 4.7614 4.7775 5.3136 5.3176 9.5381 9.5667 9.8401 9.8507 10.0252 10.0535 11.6740 11.7448 k = 0.4295 0.4108-0.0000 ( 3104 PWs) bands (ev): -7.9314 -7.9299 -7.9004 -7.8529 -7.8469 -7.8401 -7.8206 -7.8181 -7.1966 -7.0955 -7.0719 -7.0266 -7.0226 -7.0071 -6.9809 -6.9689 -6.9685 -6.9643 -6.9463 -6.9359 -2.8966 -2.8944 -2.3214 -2.3211 1.1784 1.1788 1.9212 1.9231 3.3452 3.3788 4.0438 4.1330 4.7449 4.7621 5.2346 5.2373 9.6829 9.7101 9.8593 9.8633 10.0464 10.0692 11.7317 11.7962 k = 0.4231 0.4219-0.0000 ( 3092 PWs) bands (ev): -7.9316 -7.9301 -7.9025 -7.8521 -7.8463 -7.8379 -7.8206 -7.8179 -7.2003 -7.0915 -7.0733 -7.0254 -7.0234 -7.0070 -6.9811 -6.9691 -6.9683 -6.9638 -6.9472 -6.9363 -2.8763 -2.8739 -2.3213 -2.3210 1.1971 1.1976 1.9143 1.9163 3.3352 3.3717 3.9950 4.0898 4.7264 4.7445 5.1565 5.1575 9.8202 9.8266 9.8342 9.8606 10.1198 10.1342 11.7977 11.8542 k = 0.4167 0.4330-0.0000 ( 3084 PWs) bands (ev): -7.9317 -7.9302 -7.9046 -7.8514 -7.8457 -7.8358 -7.8206 -7.8177 -7.2039 -7.0876 -7.0747 -7.0259 -7.0226 -7.0069 -6.9811 -6.9693 -6.9682 -6.9633 -6.9479 -6.9367 -2.8545 -2.8520 -2.3219 -2.3216 1.2173 1.2178 1.9059 1.9077 3.3198 3.3579 3.9561 4.0547 4.7058 4.7247 5.0793 5.0803 9.7681 9.7789 9.9851 10.0084 10.2058 10.2165 11.8719 11.9181 k = 0.4103 0.4441-0.0000 ( 3076 PWs) bands (ev): -7.9318 -7.9303 -7.9067 -7.8507 -7.8452 -7.8338 -7.8205 -7.8174 -7.2072 -7.0839 -7.0758 -7.0272 -7.0213 -7.0069 -6.9811 -6.9695 -6.9682 -6.9628 -6.9485 -6.9372 -2.8313 -2.8287 -2.3235 -2.3232 1.2388 1.2394 1.8955 1.8973 3.2986 3.3365 3.9288 4.0291 4.6831 4.7025 5.0036 5.0072 9.7122 9.7250 10.1380 10.1574 10.2926 10.3019 11.9538 11.9858 k = 0.4038 0.4552-0.0000 ( 3080 PWs) bands (ev): -7.9319 -7.9304 -7.9087 -7.8500 -7.8447 -7.8320 -7.8204 -7.8172 -7.2103 -7.0803 -7.0769 -7.0287 -7.0200 -7.0071 -6.9809 -6.9697 -6.9681 -6.9623 -6.9490 -6.9378 -2.8067 -2.8041 -2.3262 -2.3260 1.2616 1.2623 1.8831 1.8848 3.2721 3.3077 3.9137 4.0136 4.6582 4.6778 4.9315 4.9380 9.6574 9.6710 10.2880 10.3026 10.3774 10.3868 12.0424 12.0521 k = 0.3974 0.4663-0.0000 ( 3086 PWs) bands (ev): -7.9319 -7.9304 -7.9106 -7.8494 -7.8443 -7.8304 -7.8201 -7.8169 -7.2131 -7.0780 -7.0767 -7.0302 -7.0187 -7.0073 -6.9806 -6.9699 -6.9682 -6.9620 -6.9493 -6.9384 -2.7810 -2.7783 -2.3302 -2.3301 1.2856 1.2864 1.8684 1.8699 3.2410 3.2729 3.9102 4.0079 4.6310 4.6507 4.8637 4.8733 9.6052 9.6189 10.4273 10.4348 10.4650 10.4735 12.1076 12.1365 k = 0.3910 0.4774-0.0000 ( 3082 PWs) bands (ev): -7.9318 -7.9303 -7.9125 -7.8487 -7.8439 -7.8291 -7.8197 -7.8167 -7.2157 -7.0788 -7.0735 -7.0319 -7.0176 -7.0076 -6.9802 -6.9701 -6.9682 -6.9617 -6.9495 -6.9391 -2.7542 -2.7514 -2.3357 -2.3357 1.3108 1.3116 1.8513 1.8526 3.2069 3.2343 3.9169 4.0113 4.6014 4.6213 4.8010 4.8137 9.5566 9.5698 10.5238 10.5287 10.5811 10.5848 12.1520 12.2323 k = 0.3846 0.4885-0.0000 ( 3082 PWs) bands (ev): -7.9317 -7.9302 -7.9144 -7.8481 -7.8437 -7.8281 -7.8193 -7.8164 -7.2180 -7.0795 -7.0703 -7.0337 -7.0165 -7.0079 -6.9797 -6.9703 -6.9683 -6.9615 -6.9494 -6.9398 -2.7265 -2.7236 -2.3432 -2.3430 1.3372 1.3380 1.8316 1.8327 3.1715 3.1941 3.9319 4.0228 4.5694 4.5901 4.7440 4.7592 9.5121 9.5245 10.5947 10.6031 10.6966 10.7050 12.1989 12.3111 k = 0.3782 0.4996-0.0000 ( 3090 PWs) bands (ev): -7.9315 -7.9301 -7.9161 -7.8475 -7.8435 -7.8273 -7.8187 -7.8162 -7.2200 -7.0801 -7.0673 -7.0355 -7.0156 -7.0084 -6.9792 -6.9704 -6.9685 -6.9613 -6.9492 -6.9405 -2.6979 -2.6950 -2.3526 -2.3523 1.3646 1.3655 1.8092 1.8102 3.1365 3.1546 3.9537 4.0411 4.5350 4.5575 4.6932 4.7098 9.4722 9.4834 10.6591 10.6693 10.7962 10.8106 12.2587 12.3794 k = 0.3718 0.5107-0.0000 ( 3094 PWs) bands (ev): -7.9313 -7.9298 -7.9179 -7.8469 -7.8434 -7.8268 -7.8181 -7.8160 -7.2218 -7.0806 -7.0644 -7.0374 -7.0147 -7.0088 -6.9786 -6.9706 -6.9687 -6.9613 -6.9489 -6.9412 -2.6686 -2.6657 -2.3642 -2.3637 1.3930 1.3941 1.7843 1.7850 3.1034 3.1173 3.9809 4.0653 4.4982 4.5243 4.6490 4.6654 9.4373 9.4471 10.7178 10.7298 10.8763 10.8956 12.3369 12.4630 k = 0.3654 0.5218-0.0000 ( 3094 PWs) bands (ev): -7.9310 -7.9296 -7.9196 -7.8463 -7.8434 -7.8264 -7.8175 -7.8158 -7.2232 -7.0810 -7.0616 -7.0393 -7.0140 -7.0092 -6.9780 -6.9707 -6.9689 -6.9612 -6.9484 -6.9419 -2.6388 -2.6359 -2.3781 -2.3774 1.4226 1.4236 1.7568 1.7574 3.0734 3.0838 4.0126 4.0945 4.4594 4.4906 4.6116 4.6258 9.4075 9.4159 10.7713 10.7850 10.9353 10.9578 12.4353 12.5647 k = 0.3590 0.5329-0.0000 ( 3088 PWs) bands (ev): -7.9306 -7.9292 -7.9212 -7.8458 -7.8434 -7.8261 -7.8169 -7.8157 -7.2244 -7.0813 -7.0590 -7.0413 -7.0133 -7.0097 -6.9775 -6.9708 -6.9691 -6.9612 -6.9478 -6.9426 -2.6086 -2.6058 -2.3946 -2.3936 1.4532 1.4543 1.7268 1.7273 3.0476 3.0551 4.0478 4.1278 4.4188 4.4563 4.5811 4.5918 9.3832 9.3899 10.8196 10.8351 10.9740 10.9974 12.5526 12.6826 k = 0.3526 0.5440-0.0000 ( 3092 PWs) bands (ev): -7.9302 -7.9288 -7.9227 -7.8454 -7.8435 -7.8259 -7.8164 -7.8156 -7.2254 -7.0815 -7.0565 -7.0433 -7.0127 -7.0101 -6.9770 -6.9708 -6.9694 -6.9612 -6.9472 -6.9433 -2.5783 -2.5755 -2.4137 -2.4125 1.4850 1.4861 1.6948 1.6952 3.0269 3.0318 4.0855 4.1646 4.3769 4.4206 4.5574 4.5642 9.3644 9.3695 10.8627 10.8801 10.9943 11.0166 12.6843 12.8122 k = 0.3462 0.5551-0.0000 ( 3100 PWs) bands (ev): -7.9297 -7.9284 -7.9241 -7.8449 -7.8437 -7.8258 -7.8160 -7.8155 -7.2260 -7.0817 -7.0541 -7.0454 -7.0122 -7.0106 -6.9767 -6.9707 -6.9697 -6.9612 -6.9466 -6.9440 -2.5480 -2.5454 -2.4357 -2.4341 1.5180 1.5191 1.6609 1.6613 3.0118 3.0147 4.1246 4.2042 4.3349 4.3829 4.5407 4.5440 9.3512 9.3545 10.9002 10.9201 10.9991 11.0188 12.8229 12.9202 k = 0.3397 0.5662-0.0000 ( 3096 PWs) bands (ev): -7.9291 -7.9282 -7.9252 -7.8446 -7.8439 -7.8257 -7.8157 -7.8155 -7.2264 -7.0817 -7.0518 -7.0475 -7.0117 -7.0110 -6.9764 -6.9705 -6.9700 -6.9612 -6.9459 -6.9447 -2.5180 -2.5155 -2.4605 -2.4586 1.5521 1.5532 1.6257 1.6262 3.0028 3.0041 4.1615 4.2451 4.2959 4.3437 4.5308 4.5319 9.3436 9.3453 10.9309 10.9549 10.9925 11.0071 12.9517 12.9887 k = 0.3333 0.5774-0.0000 ( 3096 PWs) bands (ev): -7.9285 -7.9285 -7.9257 -7.8442 -7.8442 -7.8257 -7.8156 -7.8156 -7.2265 -7.0818 -7.0496 -7.0496 -7.0114 -7.0114 -6.9764 -6.9703 -6.9703 -6.9612 -6.9453 -6.9453 -2.4895 -2.4873 -2.4873 -2.4848 1.5822 1.5839 1.5951 1.5951 3.0001 3.0001 4.1812 4.2748 4.2748 4.3154 4.5277 4.5277 9.3416 9.3416 10.9463 10.9837 10.9850 10.9850 13.0191 13.0335 k = 0.3333 0.5774-0.0000 ( 3096 PWs) bands (ev): -7.9285 -7.9285 -7.9257 -7.8442 -7.8442 -7.8257 -7.8156 -7.8156 -7.2265 -7.0818 -7.0496 -7.0496 -7.0114 -7.0114 -6.9764 -6.9703 -6.9703 -6.9612 -6.9453 -6.9453 -2.4895 -2.4873 -2.4873 -2.4848 1.5822 1.5839 1.5951 1.5951 3.0001 3.0001 4.1812 4.2748 4.2748 4.3154 4.5277 4.5277 9.3416 9.3416 10.9463 10.9837 10.9850 10.9850 13.0191 13.0335 k = 0.3268 0.5660-0.0000 ( 3096 PWs) bands (ev): -7.9294 -7.9278 -7.9253 -7.8446 -7.8439 -7.8257 -7.8157 -7.8156 -7.2264 -7.0817 -7.0518 -7.0475 -7.0117 -7.0110 -6.9764 -6.9706 -6.9700 -6.9612 -6.9459 -6.9447 -2.5199 -2.5171 -2.4590 -2.4569 1.5503 1.5516 1.6276 1.6282 3.0031 3.0041 4.1593 4.2439 4.2959 4.3472 4.5314 4.5315 9.3437 9.3453 10.9296 10.9523 10.9954 11.0086 12.9676 12.9843 k = 0.3203 0.5547-0.0000 ( 3096 PWs) bands (ev): -7.9306 -7.9270 -7.9246 -7.8449 -7.8437 -7.8258 -7.8159 -7.8156 -7.2260 -7.0817 -7.0540 -7.0455 -7.0120 -7.0107 -6.9766 -6.9708 -6.9696 -6.9612 -6.9465 -6.9442 -2.5544 -2.5513 -2.4307 -2.4288 1.5128 1.5144 1.6678 1.6682 3.0130 3.0148 4.1157 4.1967 4.3393 4.3948 4.5417 4.5429 9.3516 9.3547 10.8957 10.9132 11.0098 11.0269 12.8703 12.9227 k = 0.3137 0.5434-0.0000 ( 3096 PWs) bands (ev): -7.9317 -7.9262 -7.9238 -7.8454 -7.8435 -7.8260 -7.8162 -7.8157 -7.2254 -7.0816 -7.0561 -7.0436 -7.0123 -7.0105 -6.9769 -6.9711 -6.9693 -6.9613 -6.9470 -6.9437 -2.5920 -2.5884 -2.4037 -2.4020 1.4757 1.4778 1.7105 1.7106 3.0298 3.0322 4.0664 4.1468 4.3890 4.4446 4.5585 4.5620 9.3650 9.3696 10.8542 10.8685 11.0200 11.0388 12.7500 12.8605 k = 0.3072 0.5321-0.0000 ( 3100 PWs) bands (ev): -7.9329 -7.9253 -7.9228 -7.8458 -7.8434 -7.8262 -7.8165 -7.8159 -7.2246 -7.0814 -7.0582 -7.0417 -7.0125 -7.0103 -6.9773 -6.9713 -6.9690 -6.9613 -6.9474 -6.9432 -2.6326 -2.6286 -2.3782 -2.3769 1.4396 1.4423 1.7555 1.7557 3.0533 3.0561 4.0148 4.0955 4.4414 4.4947 4.5816 4.5890 9.3840 9.3900 10.8075 10.8195 11.0244 11.0441 12.6242 12.7562 k = 0.3007 0.5207-0.0000 ( 3096 PWs) bands (ev): -7.9339 -7.9243 -7.9216 -7.8463 -7.8433 -7.8266 -7.8169 -7.8161 -7.2235 -7.0813 -7.0603 -7.0400 -7.0127 -7.0101 -6.9777 -6.9715 -6.9687 -6.9614 -6.9478 -6.9429 -2.6760 -2.6716 -2.3547 -2.3536 1.4052 1.4085 1.8031 1.8037 3.0831 3.0862 3.9624 4.0434 4.4953 4.5440 4.6108 4.6241 9.4083 9.4155 10.7570 10.7669 11.0227 11.0429 12.4974 12.6300 k = 0.2941 0.5094-0.0000 ( 3102 PWs) bands (ev): -7.9349 -7.9232 -7.9204 -7.8468 -7.8433 -7.8271 -7.8173 -7.8163 -7.2223 -7.0811 -7.0624 -7.0383 -7.0129 -7.0099 -6.9782 -6.9716 -6.9686 -6.9615 -6.9482 -6.9426 -2.7222 -2.7173 -2.3334 -2.3326 1.3729 1.3770 1.8536 1.8548 3.1189 3.1222 3.9097 3.9911 4.5498 4.5917 4.6462 4.6674 9.4378 9.4461 10.7033 10.7116 11.0148 11.0350 12.3714 12.5038 k = 0.2876 0.4981-0.0000 ( 3094 PWs) bands (ev): -7.9358 -7.9221 -7.9192 -7.8474 -7.8434 -7.8278 -7.8178 -7.8164 -7.2209 -7.0809 -7.0644 -7.0367 -7.0130 -7.0098 -6.9788 -6.9718 -6.9684 -6.9617 -6.9485 -6.9424 -2.7708 -2.7656 -2.3144 -2.3140 1.3433 1.3481 1.9074 1.9091 3.1603 3.1639 3.8573 3.9390 4.6045 4.6385 4.6875 4.7176 9.4722 9.4815 10.6472 10.6542 11.0009 11.0207 12.2468 12.3788 k = 0.2810 0.4868-0.0000 ( 3090 PWs) bands (ev): -7.9367 -7.9210 -7.9178 -7.8480 -7.8434 -7.8286 -7.8184 -7.8165 -7.2193 -7.0806 -7.0664 -7.0352 -7.0132 -7.0097 -6.9794 -6.9719 -6.9684 -6.9619 -6.9487 -6.9423 -2.8218 -2.8162 -2.2982 -2.2980 1.3168 1.3224 1.9645 1.9668 3.2071 3.2108 3.8057 3.8876 4.6590 4.6859 4.7346 4.7729 9.5113 9.5215 10.5892 10.5950 10.9812 11.0002 12.1241 12.2554 k = 0.2745 0.4755-0.0000 ( 3090 PWs) bands (ev): -7.9374 -7.9197 -7.9164 -7.8486 -7.8436 -7.8296 -7.8190 -7.8165 -7.2176 -7.0804 -7.0683 -7.0337 -7.0133 -7.0095 -6.9801 -6.9720 -6.9685 -6.9621 -6.9490 -6.9422 -2.8749 -2.8690 -2.2850 -2.2850 1.2936 1.3000 2.0251 2.0281 3.2586 3.2626 3.7553 3.8372 4.7135 4.7350 4.7867 4.8314 9.5547 9.5657 10.5298 10.5346 10.9562 10.9741 12.0037 12.1342 k = 0.2680 0.4641-0.0000 ( 3088 PWs) bands (ev): -7.9380 -7.9184 -7.9148 -7.8492 -7.8437 -7.8307 -7.8197 -7.8164 -7.2158 -7.0801 -7.0701 -7.0323 -7.0134 -7.0094 -6.9807 -6.9721 -6.9686 -6.9625 -6.9491 -6.9422 -2.9299 -2.9236 -2.2751 -2.2748 1.2741 1.2812 2.0894 2.0930 3.3146 3.3190 3.7067 3.7883 4.7686 4.7865 4.8429 4.8921 9.6023 9.6139 10.4692 10.4732 10.9264 10.9430 11.8858 12.0154 k = 0.2614 0.4528-0.0000 ( 3084 PWs) bands (ev): -7.9386 -7.9171 -7.9133 -7.8498 -7.8440 -7.8319 -7.8204 -7.8163 -7.2138 -7.0798 -7.0719 -7.0310 -7.0135 -7.0093 -6.9815 -6.9721 -6.9688 -6.9628 -6.9493 -6.9423 -2.9865 -2.9800 -2.2685 -2.2680 1.2584 1.2663 2.1574 2.1617 3.3743 3.3796 3.6606 3.7415 4.8248 4.8405 4.9020 4.9543 9.6537 9.6657 10.4079 10.4110 10.8926 10.9075 11.7706 11.8992 k = 0.2549 0.4415-0.0000 ( 3086 PWs) bands (ev): -7.9390 -7.9157 -7.9116 -7.8505 -7.8442 -7.8333 -7.8211 -7.8162 -7.2117 -7.0795 -7.0736 -7.0298 -7.0137 -7.0091 -6.9822 -6.9722 -6.9691 -6.9633 -6.9495 -6.9425 -3.0445 -3.0378 -2.2652 -2.2645 1.2466 1.2551 2.2291 2.2341 3.4365 3.4439 3.6184 3.6972 4.8825 4.8970 4.9632 5.0176 9.7084 9.7209 10.3459 10.3484 10.8552 10.8683 11.6584 11.7859 k = 0.2484 0.4302-0.0000 ( 3084 PWs) bands (ev): -7.9394 -7.9142 -7.9099 -7.8512 -7.8445 -7.8348 -7.8219 -7.8160 -7.2095 -7.0792 -7.0751 -7.0286 -7.0138 -7.0090 -6.9830 -6.9723 -6.9694 -6.9638 -6.9496 -6.9427 -3.1037 -3.0968 -2.2653 -2.2645 1.2385 1.2476 2.3046 2.3104 3.4958 3.5113 3.5857 3.6563 4.9421 4.9560 5.0258 5.0817 9.7661 9.7788 10.2837 10.2856 10.8153 10.8263 11.5493 11.6756 k = 0.2418 0.4189-0.0000 ( 3084 PWs) bands (ev): -7.9396 -7.9127 -7.9081 -7.8518 -7.8448 -7.8363 -7.8227 -7.8159 -7.2073 -7.0789 -7.0766 -7.0274 -7.0140 -7.0088 -6.9839 -6.9723 -6.9698 -6.9644 -6.9497 -6.9430 -3.1638 -3.1568 -2.2687 -2.2679 1.2341 1.2437 2.3839 2.3905 3.5146 3.5782 3.6004 3.6228 5.0034 5.0171 5.0895 5.1463 9.8261 9.8388 10.2213 10.2226 10.7735 10.7823 11.4436 11.5685 k = 0.2353 0.4075-0.0000 ( 3078 PWs) bands (ev): -7.9398 -7.9112 -7.9063 -7.8525 -7.8451 -7.8379 -7.8236 -7.8157 -7.2049 -7.0786 -7.0780 -7.0264 -7.0142 -7.0086 -6.9847 -6.9724 -6.9702 -6.9650 -6.9499 -6.9434 -3.2246 -3.2174 -2.2755 -2.2747 1.2330 1.2431 2.4670 2.4743 3.4905 3.5793 3.6619 3.6649 5.0664 5.0802 5.1538 5.2113 9.8874 9.9001 10.1592 10.1600 10.7309 10.7373 11.3414 11.4648 k = 0.2288 0.3962-0.0000 ( 3078 PWs) bands (ev): -7.9398 -7.9096 -7.9044 -7.8532 -7.8455 -7.8395 -7.8244 -7.8156 -7.2025 -7.0793 -7.0782 -7.0254 -7.0145 -7.0084 -6.9856 -6.9725 -6.9707 -6.9657 -6.9500 -6.9437 -3.2859 -3.2786 -2.2856 -2.2849 1.2349 1.2453 2.5538 2.5617 3.4636 3.5515 3.7373 3.7396 5.1309 5.1450 5.2186 5.2764 9.9480 9.9605 10.0983 10.0989 10.6887 10.6924 11.2430 11.3647 k = 0.2222 0.3849-0.0000 ( 3080 PWs) bands (ev): -7.9397 -7.9080 -7.9025 -7.8539 -7.8460 -7.8411 -7.8253 -7.8155 -7.2000 -7.0804 -7.0778 -7.0245 -7.0147 -7.0081 -6.9865 -6.9727 -6.9713 -6.9665 -6.9501 -6.9441 -3.3474 -3.3401 -2.2987 -2.2981 1.2393 1.2498 2.6442 2.6528 3.4405 3.5276 3.8163 3.8182 5.1968 5.2114 5.2837 5.3415 9.9938 10.0051 10.0515 10.0522 10.6485 10.6493 11.1485 11.2683 k = 0.2157 0.3736-0.0000 ( 3076 PWs) bands (ev): -7.9396 -7.9063 -7.9006 -7.8546 -7.8464 -7.8428 -7.8263 -7.8155 -7.1975 -7.0815 -7.0774 -7.0236 -7.0150 -7.0079 -6.9874 -6.9728 -6.9718 -6.9673 -6.9503 -6.9446 -3.4089 -3.4017 -2.3147 -2.3143 1.2455 1.2563 2.7382 2.7474 3.4227 3.5092 3.8976 3.8994 5.2636 5.2790 5.3488 5.4064 9.9593 9.9640 10.0812 10.0879 10.6104 10.6131 11.0582 11.1759 k = 0.2092 0.3623-0.0000 ( 3080 PWs) bands (ev): -7.9393 -7.9047 -7.8987 -7.8553 -7.8469 -7.8443 -7.8272 -7.8155 -7.1950 -7.0824 -7.0770 -7.0229 -7.0154 -7.0076 -6.9883 -6.9731 -6.9724 -6.9682 -6.9504 -6.9450 -3.4703 -3.4632 -2.3333 -2.3333 1.2531 1.2639 2.8357 2.8454 3.4111 3.4970 3.9809 3.9827 5.3312 5.3476 5.4140 5.4711 9.8987 9.9034 10.1294 10.1350 10.5798 10.5866 10.9723 11.0876 k = 0.2026 0.3509-0.0000 ( 3088 PWs) bands (ev): -7.9389 -7.9030 -7.8967 -7.8560 -7.8476 -7.8458 -7.8281 -7.8156 -7.1924 -7.0832 -7.0766 -7.0222 -7.0158 -7.0072 -6.9892 -6.9734 -6.9730 -6.9691 -6.9506 -6.9454 -3.5313 -3.5243 -2.3547 -2.3544 1.2613 1.2721 2.9366 2.9467 3.4065 3.4917 4.0658 4.0678 5.3992 5.4169 5.4791 5.5352 9.8358 9.8414 10.1657 10.1691 10.5638 10.5751 10.8910 11.0037 k = 0.1961 0.3396-0.0000 ( 3092 PWs) bands (ev): -7.9384 -7.9013 -7.8947 -7.8567 -7.8486 -7.8469 -7.8291 -7.8157 -7.1898 -7.0839 -7.0762 -7.0217 -7.0162 -7.0069 -6.9901 -6.9738 -6.9736 -6.9700 -6.9507 -6.9459 -3.5918 -3.5849 -2.3782 -2.3776 1.2694 1.2802 3.0407 3.0511 3.4094 3.4939 4.1520 4.1542 5.4672 5.4866 5.5442 5.5988 9.7720 9.7789 10.1812 10.1826 10.5694 10.5848 10.8146 10.9244 k = 0.1895 0.3283-0.0000 ( 3102 PWs) bands (ev): -7.9377 -7.8996 -7.8927 -7.8574 -7.8500 -7.8477 -7.8301 -7.8160 -7.1872 -7.0844 -7.0758 -7.0213 -7.0166 -7.0065 -6.9910 -6.9744 -6.9743 -6.9709 -6.9508 -6.9463 -3.6516 -3.6449 -2.4037 -2.4027 1.2770 1.2877 3.1480 3.1583 3.4206 3.5039 4.2391 4.2416 5.5348 5.5565 5.6093 5.6618 9.7077 9.7161 10.1731 10.1739 10.5982 10.6166 10.7437 10.8499 k = 0.1830 0.3170-0.0000 ( 3096 PWs) bands (ev): -7.9370 -7.8978 -7.8908 -7.8580 -7.8514 -7.8483 -7.8311 -7.8163 -7.1845 -7.0848 -7.0753 -7.0211 -7.0171 -7.0060 -6.9919 -6.9751 -6.9749 -6.9717 -6.9510 -6.9466 -3.7105 -3.7041 -2.4309 -2.4293 1.2833 1.2940 3.2584 3.2678 3.4408 3.5223 4.3270 4.3298 5.6016 5.6261 5.6743 5.7240 9.6429 9.6530 10.1462 10.1477 10.6404 10.6652 10.6829 10.7807 k = 0.1765 0.3057-0.0000 ( 3100 PWs) bands (ev): -7.9362 -7.8961 -7.8888 -7.8587 -7.8529 -7.8489 -7.8320 -7.8167 -7.1818 -7.0851 -7.0749 -7.0210 -7.0176 -7.0056 -6.9927 -6.9759 -6.9755 -6.9726 -6.9511 -6.9470 -3.7685 -3.7623 -2.4593 -2.4573 1.2880 1.2986 3.3716 3.3778 3.4721 3.5492 4.4152 4.4185 5.6670 5.6952 5.7396 5.7855 9.5774 9.5895 10.1071 10.1098 10.6116 10.7095 10.7140 10.7265 k = 0.1699 0.2943-0.0000 ( 3094 PWs) bands (ev): -7.9352 -7.8944 -7.8869 -7.8593 -7.8544 -7.8494 -7.8331 -7.8172 -7.1791 -7.0852 -7.0745 -7.0210 -7.0181 -7.0050 -6.9934 -6.9768 -6.9762 -6.9734 -6.9511 -6.9473 -3.8253 -3.8194 -2.4888 -2.4864 1.2907 1.3012 3.4754 3.4875 3.5273 3.5850 4.5036 4.5072 5.7306 5.7633 5.8049 5.8463 9.5114 9.5254 10.0605 10.0646 10.5576 10.6576 10.7720 10.7880 k = 0.1634 0.2830-0.0000 ( 3098 PWs) bands (ev): -7.9342 -7.8927 -7.8850 -7.8599 -7.8558 -7.8500 -7.8341 -7.8179 -7.1764 -7.0852 -7.0741 -7.0212 -7.0186 -7.0045 -6.9940 -6.9778 -6.9769 -6.9742 -6.9512 -6.9475 -3.8809 -3.8753 -2.5191 -2.5162 1.2912 1.3017 3.5374 3.6044 3.6294 3.6311 4.5917 4.5958 5.7922 5.8300 5.8704 5.9064 9.4445 9.4608 10.0090 10.0145 10.5081 10.6047 10.8371 10.8529 k = 0.1569 0.2717-0.0000 ( 3090 PWs) bands (ev): -7.9330 -7.8911 -7.8832 -7.8605 -7.8571 -7.8506 -7.8351 -7.8186 -7.1737 -7.0851 -7.0737 -7.0216 -7.0192 -7.0039 -6.9945 -6.9789 -6.9776 -6.9751 -6.9511 -6.9477 -3.9351 -3.9299 -2.5499 -2.5465 1.2894 1.2998 3.5946 3.6800 3.7296 3.7476 4.6792 4.6839 5.8516 5.8947 5.9357 5.9661 9.3769 9.3954 9.9540 9.9609 10.4642 10.5577 10.9013 10.9166 k = 0.1503 0.2604-0.0000 ( 3090 PWs) bands (ev): -7.9318 -7.8894 -7.8814 -7.8611 -7.8584 -7.8511 -7.8361 -7.8195 -7.1709 -7.0849 -7.0733 -7.0222 -7.0199 -7.0033 -6.9949 -6.9800 -6.9783 -6.9760 -6.9511 -6.9479 -3.9879 -3.9829 -2.5810 -2.5772 1.2852 1.2956 3.6579 3.7417 3.8527 3.8703 4.7659 4.7712 5.9087 5.9568 6.0006 6.0254 9.3083 9.3291 9.8962 9.9044 10.4262 10.5167 10.9622 10.9770 k = 0.1438 0.2491-0.0000 ( 3078 PWs) bands (ev): -7.9304 -7.8878 -7.8796 -7.8617 -7.8596 -7.8517 -7.8371 -7.8205 -7.1681 -7.0845 -7.0729 -7.0230 -7.0205 -7.0027 -6.9952 -6.9811 -6.9790 -6.9769 -6.9510 -6.9480 -4.0391 -4.0344 -2.6121 -2.6079 1.2789 1.2892 3.7286 3.8109 3.9785 3.9958 4.8515 4.8574 5.9636 6.0160 6.0648 6.0846 9.2388 9.2617 9.8358 9.8452 10.3942 10.4818 11.0181 11.0322 k = 0.1373 0.2377-0.0000 ( 3084 PWs) bands (ev): -7.9289 -7.8863 -7.8780 -7.8622 -7.8607 -7.8523 -7.8382 -7.8216 -7.1652 -7.0841 -7.0726 -7.0240 -7.0211 -7.0021 -6.9953 -6.9822 -6.9797 -6.9779 -6.9508 -6.9480 -4.0885 -4.0843 -2.6431 -2.6385 1.2706 1.2808 3.8067 3.8876 4.1066 4.1236 4.9355 4.9421 6.0162 6.0719 6.1278 6.1435 9.1682 9.1931 9.7728 9.7835 10.3682 10.4530 11.0670 11.0804 k = 0.1307 0.2264-0.0000 ( 3088 PWs) bands (ev): -7.9274 -7.8848 -7.8764 -7.8627 -7.8618 -7.8529 -7.8392 -7.8229 -7.1623 -7.0835 -7.0722 -7.0253 -7.0216 -7.0014 -6.9954 -6.9834 -6.9805 -6.9789 -6.9506 -6.9480 -4.1363 -4.1324 -2.6737 -2.6688 1.2605 1.2706 3.8917 3.9712 4.2366 4.2533 5.0177 5.0250 6.0666 6.1247 6.1894 6.2018 9.0964 9.1232 9.7069 9.7190 10.3483 10.4304 11.1074 11.1198 k = 0.1242 0.2151-0.0000 ( 3090 PWs) bands (ev): -7.9257 -7.8833 -7.8748 -7.8631 -7.8627 -7.8535 -7.8403 -7.8243 -7.1594 -7.0829 -7.0720 -7.0269 -7.0220 -7.0008 -6.9953 -6.9845 -6.9813 -6.9800 -6.9503 -6.9479 -4.1822 -4.1786 -2.7037 -2.6985 1.2489 1.2589 3.9832 4.0613 4.3683 4.3847 5.0978 5.1059 6.1148 6.1743 6.2491 6.2590 9.0233 9.0518 9.6381 9.6517 10.3345 10.4139 11.1379 11.1491 k = 0.1176 0.2038-0.0000 ( 3098 PWs) bands (ev): -7.9240 -7.8820 -7.8734 -7.8636 -7.8636 -7.8541 -7.8413 -7.8258 -7.1564 -7.0822 -7.0717 -7.0287 -7.0223 -7.0001 -6.9951 -6.9856 -6.9820 -6.9811 -6.9499 -6.9478 -4.2262 -4.2229 -2.7331 -2.7276 1.2362 1.2460 4.0806 4.1574 4.5015 4.5176 5.1755 5.1846 6.1608 6.2210 6.3068 6.3148 8.9489 8.9786 9.5658 9.5811 10.3267 10.4034 11.1576 11.1671 k = 0.1111 0.1925-0.0000 ( 3090 PWs) bands (ev): -7.9221 -7.8807 -7.8721 -7.8643 -7.8640 -7.8547 -7.8424 -7.8275 -7.1533 -7.0814 -7.0715 -7.0308 -7.0226 -6.9995 -6.9949 -6.9866 -6.9828 -6.9822 -6.9495 -6.9476 -4.2681 -4.2652 -2.7615 -2.7559 1.2226 1.2321 4.1833 4.2587 4.6359 4.6515 5.2508 5.2608 6.2047 6.2649 6.3622 6.3687 8.8728 8.9037 9.4900 9.5071 10.3248 10.3988 11.1660 11.1733 k = 0.1046 0.1811-0.0000 ( 3080 PWs) bands (ev): -7.9202 -7.8795 -7.8708 -7.8650 -7.8643 -7.8553 -7.8434 -7.8292 -7.1502 -7.0807 -7.0713 -7.0331 -7.0227 -6.9990 -6.9945 -6.9877 -6.9835 -6.9833 -6.9491 -6.9474 -4.3081 -4.3055 -2.7889 -2.7832 1.2084 1.2176 4.2907 4.3647 4.7711 4.7861 5.3234 5.3344 6.2465 6.3062 6.4150 6.4204 8.7951 8.8266 9.4103 9.4294 10.3286 10.3997 11.1633 11.1677 k = 0.0980 0.1698-0.0000 ( 3080 PWs) bands (ev): -7.9181 -7.8784 -7.8696 -7.8655 -7.8646 -7.8559 -7.8444 -7.8311 -7.1470 -7.0798 -7.0711 -7.0356 -7.0227 -6.9985 -6.9942 -6.9886 -6.9843 -6.9842 -6.9487 -6.9472 -4.3459 -4.3436 -2.8152 -2.8095 1.1938 1.2027 4.4022 4.4747 4.9067 4.9208 5.3934 5.4056 6.2860 6.3449 6.4651 6.4696 8.7155 8.7474 9.3266 9.3478 10.3375 10.4058 11.1505 11.1514 k = 0.0915 0.1585-0.0000 ( 3076 PWs) bands (ev): -7.9160 -7.8774 -7.8686 -7.8659 -7.8649 -7.8565 -7.8454 -7.8331 -7.1437 -7.0790 -7.0709 -7.0383 -7.0226 -6.9982 -6.9938 -6.9896 -6.9853 -6.9849 -6.9482 -6.9469 -4.3815 -4.3795 -2.8403 -2.8345 1.1792 1.1877 4.5171 4.5881 5.0418 5.0548 5.4611 5.4748 6.3233 6.3811 6.5123 6.5160 8.6338 8.6656 9.2388 9.2622 10.3512 10.4166 11.1264 11.1292 k = 0.0850 0.1472-0.0000 ( 3072 PWs) bands (ev): -7.9138 -7.8765 -7.8677 -7.8661 -7.8651 -7.8571 -7.8464 -7.8351 -7.1404 -7.0782 -7.0708 -7.0412 -7.0224 -6.9981 -6.9935 -6.9904 -6.9861 -6.9855 -6.9477 -6.9467 -4.4150 -4.4132 -2.8640 -2.8583 1.1647 1.1728 4.6346 4.7040 5.1753 5.1866 5.5274 5.5429 6.3584 6.4147 6.5564 6.5595 8.5497 8.5813 9.1470 9.1726 10.3692 10.4313 11.0952 11.1016 k = 0.0784 0.1358-0.0000 ( 3072 PWs) bands (ev): -7.9116 -7.8758 -7.8668 -7.8662 -7.8653 -7.8576 -7.8474 -7.8373 -7.1369 -7.0774 -7.0707 -7.0442 -7.0222 -6.9982 -6.9932 -6.9911 -6.9867 -6.9861 -6.9472 -6.9463 -4.4461 -4.4446 -2.8862 -2.8806 1.1506 1.1583 4.7539 4.8217 5.3046 5.3139 5.5941 5.6120 6.3913 6.4459 6.5974 6.6000 8.4632 8.4941 9.0516 9.0792 10.3905 10.4491 11.0605 11.0702 k = 0.0719 0.1245-0.0000 ( 3066 PWs) bands (ev): -7.9092 -7.8752 -7.8662 -7.8661 -7.8655 -7.8582 -7.8483 -7.8394 -7.1333 -7.0766 -7.0706 -7.0474 -7.0218 -6.9987 -6.9929 -6.9917 -6.9872 -6.9865 -6.9467 -6.9460 -4.4749 -4.4737 -2.9069 -2.9015 1.1371 1.1442 4.8743 4.9402 5.4253 5.4319 5.6656 5.6863 6.4218 6.4746 6.6351 6.6373 8.3741 8.4039 8.9531 8.9825 10.4142 10.4689 11.0253 11.0375 k = 0.0654 0.1132-0.0000 ( 3062 PWs) bands (ev): -7.9068 -7.8748 -7.8661 -7.8656 -7.8655 -7.8588 -7.8492 -7.8416 -7.1297 -7.0758 -7.0705 -7.0508 -7.0213 -6.9995 -6.9927 -6.9922 -6.9874 -6.9868 -6.9463 -6.9457 -4.5014 -4.5004 -2.9260 -2.9209 1.1243 1.1309 4.9947 5.0585 5.5296 5.5338 5.7491 5.7723 6.4500 6.5008 6.6695 6.6713 8.2822 8.3107 8.8523 8.8831 10.4390 10.4891 10.9923 11.0059 k = 0.0588 0.1019-0.0000 ( 3062 PWs) bands (ev): -7.9044 -7.8746 -7.8660 -7.8657 -7.8650 -7.8594 -7.8501 -7.8438 -7.1260 -7.0751 -7.0704 -7.0543 -7.0208 -7.0004 -6.9926 -6.9926 -6.9875 -6.9870 -6.9458 -6.9454 -4.5255 -4.5246 -2.9434 -2.9386 1.1123 1.1183 5.1139 5.1754 5.6110 5.6146 5.8505 5.8747 6.4758 6.5247 6.7005 6.7020 8.1874 8.2144 8.7503 8.7822 10.4633 10.5082 10.9637 10.9776 k = 0.0523 0.0906-0.0000 ( 3054 PWs) bands (ev): -7.9019 -7.8744 -7.8658 -7.8657 -7.8646 -7.8599 -7.8509 -7.8459 -7.1222 -7.0744 -7.0704 -7.0579 -7.0201 -7.0016 -6.9929 -6.9927 -6.9874 -6.9871 -6.9454 -6.9451 -4.5471 -4.5464 -2.9591 -2.9547 1.1013 1.1068 5.2305 5.2893 5.6717 5.6763 5.9671 5.9911 6.4992 6.5463 6.7281 6.7293 8.0899 8.1151 8.6487 8.6809 10.4855 10.5243 10.9418 10.9547 k = 0.0458 0.0792-0.0000 ( 3046 PWs) bands (ev): -7.8993 -7.8745 -7.8658 -7.8656 -7.8643 -7.8605 -7.8516 -7.8479 -7.1183 -7.0737 -7.0704 -7.0616 -7.0194 -7.0029 -6.9932 -6.9928 -6.9872 -6.9870 -6.9450 -6.9448 -4.5662 -4.5657 -2.9730 -2.9690 1.0914 1.0962 5.3429 5.3986 5.7186 5.7244 6.0915 6.1154 6.5201 6.5660 6.7523 6.7532 7.9898 8.0131 8.5492 8.5811 10.5040 10.5359 10.9279 10.9385 k = 0.0392 0.0679-0.0000 ( 3042 PWs) bands (ev): -7.8967 -7.8746 -7.8658 -7.8655 -7.8641 -7.8610 -7.8523 -7.8497 -7.1144 -7.0732 -7.0704 -7.0654 -7.0186 -7.0042 -6.9935 -6.9930 -6.9870 -6.9869 -6.9446 -6.9445 -4.5829 -4.5825 -2.9851 -2.9816 1.0827 1.0869 5.4488 5.5007 5.7565 5.7635 6.2175 6.2427 6.5385 6.5844 6.7731 6.7737 7.8876 7.9088 8.4540 8.4847 10.5175 10.5423 10.9221 10.9296 k = 0.0327 0.0566-0.0000 ( 3042 PWs) bands (ev): -7.8941 -7.8751 -7.8658 -7.8655 -7.8639 -7.8615 -7.8528 -7.8513 -7.1104 -7.0726 -7.0705 -7.0693 -7.0177 -7.0056 -6.9937 -6.9932 -6.9868 -6.9867 -6.9443 -6.9443 -4.5970 -4.5967 -2.9953 -2.9923 1.0753 1.0788 5.5456 5.5927 5.7885 5.7962 6.3400 6.3694 6.5543 6.6030 6.7907 6.7908 7.7842 7.8032 8.3659 8.3943 10.5259 10.5439 10.9230 10.9276 k = 0.0261 0.0453-0.0000 ( 3042 PWs) bands (ev): -7.8915 -7.8757 -7.8658 -7.8655 -7.8638 -7.8619 -7.8533 -7.8525 -7.1063 -7.0734 -7.0722 -7.0703 -7.0168 -7.0069 -6.9939 -6.9934 -6.9866 -6.9866 -6.9441 -6.9441 -4.6086 -4.6084 -3.0036 -3.0012 1.0692 1.0720 5.6299 5.6706 5.8169 5.8245 6.4509 6.4925 6.5675 6.6268 6.8047 6.8052 7.6812 7.6978 8.2878 8.3128 10.5298 10.5421 10.9282 10.9305 k = 0.0196 0.0340-0.0000 ( 3038 PWs) bands (ev): -7.8890 -7.8768 -7.8658 -7.8657 -7.8637 -7.8623 -7.8538 -7.8534 -7.1022 -7.0774 -7.0718 -7.0704 -7.0157 -7.0083 -6.9940 -6.9936 -6.9864 -6.9864 -6.9439 -6.9439 -4.6177 -4.6175 -3.0101 -3.0083 1.0645 1.0666 5.6977 5.7296 5.8441 5.8499 6.5321 6.5773 6.6086 6.6698 6.8157 6.8171 7.5818 7.5958 8.2230 8.2433 10.5308 10.5386 10.9351 10.9360 k = 0.0131 0.0226-0.0000 ( 3036 PWs) bands (ev): -7.8865 -7.8782 -7.8658 -7.8658 -7.8636 -7.8627 -7.8541 -7.8540 -7.0981 -7.0815 -7.0714 -7.0705 -7.0146 -7.0097 -6.9940 -6.9938 -6.9863 -6.9863 -6.9438 -6.9438 -4.6241 -4.6240 -3.0146 -3.0134 1.0612 1.0627 5.7460 5.7666 5.8701 5.8728 6.5703 6.5850 6.7087 6.7370 6.8253 6.8277 7.4923 7.5031 8.1749 8.1893 10.5303 10.5348 10.9412 10.9414 k = 0.0065 0.0113-0.0000 ( 3026 PWs) bands (ev): -7.8841 -7.8799 -7.8659 -7.8659 -7.8634 -7.8629 -7.8543 -7.8543 -7.0939 -7.0856 -7.0711 -7.0707 -7.0135 -7.0110 -6.9940 -6.9939 -6.9862 -6.9862 -6.9437 -6.9437 -4.6280 -4.6279 -3.0172 -3.0166 1.0594 1.0601 5.7745 5.7842 5.8898 5.8902 6.5847 6.5892 6.7779 6.7904 6.8396 6.8412 7.4255 7.4317 8.1462 8.1537 10.5298 10.5319 10.9452 10.9452 k = 0.0000 0.0000 0.0000 ( 3021 PWs) bands (ev): -7.8819 -7.8819 -7.8659 -7.8659 -7.8632 -7.8632 -7.8543 -7.8543 -7.0898 -7.0898 -7.0709 -7.0709 -7.0122 -7.0122 -6.9940 -6.9940 -6.9862 -6.9862 -6.9436 -6.9436 -4.6293 -4.6293 -3.0179 -3.0179 1.0590 1.0590 5.7864 5.7864 5.8971 5.8971 6.5896 6.5896 6.8014 6.8014 6.8528 6.8528 7.4014 7.4014 8.1390 8.1390 10.5302 10.5302 10.9466 10.9466 k = 0.0000 0.0000 0.0000 ( 3021 PWs) bands (ev): -7.8819 -7.8819 -7.8659 -7.8659 -7.8632 -7.8632 -7.8543 -7.8543 -7.0898 -7.0898 -7.0709 -7.0709 -7.0122 -7.0122 -6.9940 -6.9940 -6.9862 -6.9862 -6.9436 -6.9436 -4.6293 -4.6293 -3.0179 -3.0179 1.0590 1.0590 5.7864 5.7864 5.8971 5.8971 6.5896 6.5896 6.8014 6.8014 6.8528 6.8528 7.4014 7.4014 8.1390 8.1390 10.5302 10.5302 10.9466 10.9466 k = 0.0000 0.0000 0.0131 ( 3027 PWs) bands (ev): -7.8819 -7.8819 -7.8659 -7.8659 -7.8632 -7.8632 -7.8544 -7.8544 -7.0898 -7.0898 -7.0709 -7.0709 -7.0122 -7.0122 -6.9940 -6.9940 -6.9861 -6.9861 -6.9437 -6.9437 -4.6280 -4.6280 -3.0210 -3.0210 1.0645 1.0645 5.7874 5.7874 5.8980 5.8980 6.5604 6.5604 6.7982 6.7982 6.8514 6.8514 7.4301 7.4301 8.1402 8.1402 10.5310 10.5310 10.9477 10.9477 k = 0.0000 0.0000 0.0261 ( 3039 PWs) bands (ev): -7.8818 -7.8818 -7.8658 -7.8658 -7.8633 -7.8633 -7.8544 -7.8544 -7.0897 -7.0897 -7.0710 -7.0710 -7.0121 -7.0121 -6.9941 -6.9941 -6.9860 -6.9860 -6.9438 -6.9438 -4.6241 -4.6241 -3.0305 -3.0305 1.0810 1.0810 5.7902 5.7902 5.9008 5.9008 6.4811 6.4811 6.7907 6.7907 6.8473 6.8473 7.5056 7.5056 8.1436 8.1436 10.5335 10.5335 10.9510 10.9510 k = 0.0000 0.0000 0.0392 ( 3039 PWs) bands (ev): -7.8816 -7.8816 -7.8658 -7.8658 -7.8633 -7.8633 -7.8545 -7.8545 -7.0897 -7.0897 -7.0712 -7.0712 -7.0120 -7.0120 -6.9942 -6.9942 -6.9858 -6.9858 -6.9441 -6.9441 -4.6177 -4.6177 -3.0461 -3.0461 1.1083 1.1083 5.7950 5.7950 5.9054 5.9054 6.3688 6.3688 6.7811 6.7811 6.8405 6.8405 7.6084 7.6084 8.1492 8.1492 10.5377 10.5377 10.9565 10.9565 k = 0.0000 0.0000 0.0522 ( 3039 PWs) bands (ev): -7.8814 -7.8814 -7.8657 -7.8657 -7.8634 -7.8634 -7.8546 -7.8546 -7.0897 -7.0897 -7.0714 -7.0714 -7.0118 -7.0118 -6.9944 -6.9944 -6.9854 -6.9854 -6.9444 -6.9444 -4.6088 -4.6088 -3.0675 -3.0675 1.1461 1.1461 5.8017 5.8017 5.9119 5.9119 6.2371 6.2371 6.7695 6.7695 6.8311 6.8311 7.7247 7.7247 8.1571 8.1571 10.5434 10.5434 10.9643 10.9643 k = 0.0000 0.0000 0.0653 ( 3051 PWs) bands (ev): -7.8812 -7.8812 -7.8656 -7.8656 -7.8636 -7.8636 -7.8547 -7.8547 -7.0896 -7.0896 -7.0717 -7.0717 -7.0116 -7.0116 -6.9946 -6.9946 -6.9850 -6.9850 -6.9449 -6.9449 -4.5973 -4.5973 -3.0944 -3.0944 1.1941 1.1941 5.8102 5.8102 5.9203 5.9203 6.0940 6.0940 6.7558 6.7558 6.8192 6.8192 7.8462 7.8462 8.1672 8.1672 10.5508 10.5508 10.9743 10.9743 k = 0.0000 0.0000 0.0783 ( 3057 PWs) bands (ev): -7.8809 -7.8809 -7.8654 -7.8654 -7.8637 -7.8637 -7.8549 -7.8549 -7.0895 -7.0895 -7.0721 -7.0721 -7.0113 -7.0113 -6.9948 -6.9948 -6.9844 -6.9844 -6.9454 -6.9454 -4.5833 -4.5833 -3.1264 -3.1264 1.2517 1.2517 5.8206 5.8206 5.9304 5.9304 5.9439 5.9439 6.7397 6.7397 6.8048 6.8048 7.9682 7.9682 8.1794 8.1794 10.5598 10.5598 10.9865 10.9865 k = 0.0000 0.0000 0.0914 ( 3063 PWs) bands (ev): -7.8805 -7.8805 -7.8653 -7.8653 -7.8640 -7.8640 -7.8550 -7.8550 -7.0894 -7.0894 -7.0725 -7.0725 -7.0110 -7.0110 -6.9951 -6.9951 -6.9838 -6.9838 -6.9460 -6.9460 -4.5668 -4.5668 -3.1629 -3.1629 1.3185 1.3185 5.7891 5.7891 5.8328 5.8328 5.9423 5.9423 6.7212 6.7212 6.7880 6.7880 8.0875 8.0875 8.1939 8.1939 10.5706 10.5706 10.9883 10.9883 k = 0.0000 0.0000 0.1044 ( 3057 PWs) bands (ev): -7.8801 -7.8801 -7.8651 -7.8651 -7.8642 -7.8642 -7.8552 -7.8552 -7.0893 -7.0893 -7.0730 -7.0730 -7.0107 -7.0107 -6.9954 -6.9954 -6.9831 -6.9831 -6.9467 -6.9467 -4.5478 -4.5478 -3.2034 -3.2034 1.3940 1.3940 5.6313 5.6313 5.8468 5.8468 5.9559 5.9559 6.7005 6.7005 6.7690 6.7690 8.2018 8.2018 8.2105 8.2105 10.5838 10.5838 10.9825 10.9825 k = 0.0000 0.0000 0.1175 ( 3057 PWs) bands (ev): -7.8797 -7.8797 -7.8649 -7.8649 -7.8644 -7.8644 -7.8555 -7.8555 -7.0892 -7.0892 -7.0735 -7.0735 -7.0103 -7.0103 -6.9957 -6.9957 -6.9823 -6.9823 -6.9475 -6.9475 -4.5264 -4.5264 -3.2475 -3.2475 1.4775 1.4775 5.4714 5.4714 5.8626 5.8626 5.9713 5.9713 6.6776 6.6776 6.7480 6.7480 8.2292 8.2292 8.3090 8.3090 10.6000 10.6000 10.9813 10.9813 k = 0.0000 0.0000 0.1305 ( 3057 PWs) bands (ev): -7.8792 -7.8792 -7.8647 -7.8647 -7.8647 -7.8647 -7.8557 -7.8557 -7.0890 -7.0890 -7.0741 -7.0741 -7.0098 -7.0098 -6.9961 -6.9961 -6.9814 -6.9814 -6.9484 -6.9484 -4.5025 -4.5025 -3.2946 -3.2946 1.5687 1.5687 5.3100 5.3100 5.8801 5.8801 5.9883 5.9883 6.6528 6.6528 6.7250 6.7250 8.2500 8.2500 8.4072 8.4072 10.6202 10.6202 10.9858 10.9858 k = 0.0000 0.0000 0.1436 ( 3057 PWs) bands (ev): -7.8787 -7.8787 -7.8650 -7.8650 -7.8644 -7.8644 -7.8560 -7.8560 -7.0888 -7.0888 -7.0747 -7.0747 -7.0094 -7.0094 -6.9964 -6.9964 -6.9804 -6.9804 -6.9493 -6.9493 -4.4763 -4.4763 -3.3443 -3.3443 1.6668 1.6668 5.1477 5.1477 5.8992 5.8992 6.0069 6.0069 6.6261 6.6261 6.7003 6.7003 8.2728 8.2728 8.4947 8.4947 10.6456 10.6456 10.9969 10.9969 k = 0.0000 0.0000 0.1566 ( 3051 PWs) bands (ev): -7.8781 -7.8781 -7.8654 -7.8654 -7.8642 -7.8642 -7.8563 -7.8563 -7.0885 -7.0885 -7.0753 -7.0753 -7.0089 -7.0089 -6.9969 -6.9969 -6.9794 -6.9794 -6.9503 -6.9503 -4.4477 -4.4477 -3.3960 -3.3960 1.7715 1.7715 4.9848 4.9848 5.9200 5.9200 6.0271 6.0271 6.5979 6.5979 6.6740 6.6740 8.2974 8.2974 8.5701 8.5701 10.6775 10.6775 11.0151 11.0151 k = 0.0000 0.0000 0.1697 ( 3063 PWs) bands (ev): -7.8776 -7.8776 -7.8658 -7.8658 -7.8639 -7.8639 -7.8566 -7.8566 -7.0883 -7.0883 -7.0760 -7.0760 -7.0084 -7.0084 -6.9973 -6.9973 -6.9783 -6.9783 -6.9514 -6.9514 -4.4168 -4.4168 -3.4492 -3.4492 1.8821 1.8821 4.8217 4.8217 5.9424 5.9424 6.0487 6.0487 6.5682 6.5682 6.6462 6.6462 8.3239 8.3239 8.6322 8.6322 10.7166 10.7166 11.0411 11.0411 k = 0.0000 0.0000 0.1827 ( 3051 PWs) bands (ev): -7.8770 -7.8770 -7.8662 -7.8662 -7.8636 -7.8636 -7.8569 -7.8569 -7.0880 -7.0880 -7.0767 -7.0767 -7.0078 -7.0078 -6.9978 -6.9978 -6.9771 -6.9771 -6.9526 -6.9526 -4.3836 -4.3836 -3.5037 -3.5037 1.9984 1.9984 4.6586 4.6586 5.9662 5.9662 6.0718 6.0718 6.5373 6.5373 6.6173 6.6173 8.3521 8.3521 8.6806 8.6806 10.7630 10.7630 11.0756 11.0756 k = 0.0000 0.0000 0.1958 ( 3050 PWs) bands (ev): -7.8763 -7.8763 -7.8667 -7.8667 -7.8633 -7.8633 -7.8573 -7.8573 -7.0876 -7.0876 -7.0774 -7.0774 -7.0073 -7.0073 -6.9983 -6.9983 -6.9759 -6.9759 -6.9538 -6.9538 -4.3482 -4.3482 -3.5590 -3.5590 2.1198 2.1198 4.4959 4.4959 5.9914 5.9914 6.0963 6.0963 6.5053 6.5053 6.5873 6.5873 8.3818 8.3818 8.7154 8.7154 10.8157 10.8157 11.1198 11.1198 k = 0.0000 0.0000 0.2088 ( 3038 PWs) bands (ev): -7.8757 -7.8757 -7.8671 -7.8671 -7.8629 -7.8629 -7.8576 -7.8576 -7.0872 -7.0872 -7.0782 -7.0782 -7.0067 -7.0067 -6.9988 -6.9988 -6.9746 -6.9746 -6.9550 -6.9550 -4.3107 -4.3107 -3.6147 -3.6147 2.2459 2.2459 4.3338 4.3338 6.0180 6.0180 6.1220 6.1220 6.4725 6.4725 6.5564 6.5564 8.4129 8.4129 8.7372 8.7372 10.8726 10.8726 11.1753 11.1753 k = 0.0000 0.0000 0.2219 ( 3020 PWs) bands (ev): -7.8750 -7.8750 -7.8676 -7.8676 -7.8626 -7.8626 -7.8580 -7.8580 -7.0868 -7.0868 -7.0789 -7.0789 -7.0062 -7.0062 -6.9993 -6.9993 -6.9733 -6.9733 -6.9564 -6.9564 -4.2711 -4.2711 -3.6705 -3.6705 2.3763 2.3763 4.1724 4.1724 6.0459 6.0459 6.1489 6.1489 6.4390 6.4390 6.5248 6.5248 8.4451 8.4451 8.7472 8.7472 10.9313 10.9313 11.2437 11.2437 k = 0.0000 0.0000 0.2349 ( 3020 PWs) bands (ev): -7.8744 -7.8744 -7.8681 -7.8681 -7.8622 -7.8622 -7.8584 -7.8584 -7.0863 -7.0863 -7.0797 -7.0797 -7.0056 -7.0056 -6.9998 -6.9998 -6.9720 -6.9720 -6.9577 -6.9577 -4.2294 -4.2294 -3.7263 -3.7263 2.5107 2.5107 4.0120 4.0120 6.0749 6.0749 6.1770 6.1770 6.4051 6.4051 6.4927 6.4927 8.4783 8.4783 8.7469 8.7469 10.9892 10.9892 11.2981 11.2981 k = 0.0000 0.0000 0.2480 ( 3020 PWs) bands (ev): -7.8737 -7.8737 -7.8687 -7.8687 -7.8619 -7.8619 -7.8587 -7.8587 -7.0858 -7.0858 -7.0805 -7.0805 -7.0050 -7.0050 -7.0004 -7.0004 -6.9706 -6.9706 -6.9591 -6.9591 -4.1859 -4.1859 -3.7816 -3.7816 2.6489 2.6489 3.8527 3.8527 6.1051 6.1051 6.2060 6.2060 6.3708 6.3708 6.4602 6.4602 8.5121 8.5121 8.7379 8.7379 11.0452 11.0452 11.3367 11.3367 k = 0.0000 0.0000 0.2610 ( 3032 PWs) bands (ev): -7.8731 -7.8731 -7.8693 -7.8693 -7.8615 -7.8615 -7.8591 -7.8591 -7.0852 -7.0852 -7.0812 -7.0812 -7.0044 -7.0044 -7.0009 -7.0009 -6.9692 -6.9692 -6.9605 -6.9605 -4.1405 -4.1405 -3.8363 -3.8363 2.7904 2.7904 3.6949 3.6949 6.1362 6.1362 6.2359 6.2359 6.3364 6.3364 6.4275 6.4275 8.5461 8.5461 8.7218 8.7218 11.0994 11.0994 11.3769 11.3769 k = 0.0000 0.0000 0.2741 ( 3032 PWs) bands (ev): -7.8724 -7.8724 -7.8699 -7.8699 -7.8611 -7.8611 -7.8595 -7.8595 -7.0846 -7.0846 -7.0819 -7.0819 -7.0038 -7.0038 -7.0015 -7.0015 -6.9677 -6.9677 -6.9619 -6.9619 -4.0934 -4.0934 -3.8901 -3.8901 2.9349 2.9349 3.5388 3.5388 6.1681 6.1681 6.2666 6.2666 6.3021 6.3021 6.3948 6.3948 8.5798 8.5798 8.6999 8.6999 11.1521 11.1521 11.3585 11.3585 k = 0.0000 0.0000 0.2872 ( 3038 PWs) bands (ev): -7.8718 -7.8718 -7.8705 -7.8705 -7.8607 -7.8607 -7.8599 -7.8599 -7.0840 -7.0840 -7.0827 -7.0827 -7.0032 -7.0032 -7.0021 -7.0021 -6.9663 -6.9663 -6.9634 -6.9634 -4.0447 -4.0447 -3.9429 -3.9429 3.0823 3.0823 3.3845 3.3845 6.2008 6.2008 6.2679 6.2679 6.2980 6.2980 6.3622 6.3622 8.6129 8.6129 8.6738 8.6738 11.2040 11.2040 11.3070 11.3070 k = 0.0000 0.0000 0.3002 ( 3038 PWs) bands (ev): -7.8711 -7.8711 -7.8711 -7.8711 -7.8603 -7.8603 -7.8603 -7.8603 -7.0833 -7.0833 -7.0833 -7.0833 -7.0027 -7.0027 -7.0027 -7.0027 -6.9648 -6.9648 -6.9648 -6.9648 -3.9945 -3.9945 -3.9945 -3.9945 3.2322 3.2322 3.2322 3.2322 6.2341 6.2341 6.2341 6.2341 6.3299 6.3299 6.3299 6.3299 8.6444 8.6444 8.6444 8.6444 11.2555 11.2555 11.2555 11.2555 k = 0.0000 0.0000 0.3002 ( 3038 PWs) bands (ev): -7.8711 -7.8711 -7.8711 -7.8711 -7.8603 -7.8603 -7.8603 -7.8603 -7.0833 -7.0833 -7.0833 -7.0833 -7.0027 -7.0027 -7.0027 -7.0027 -6.9648 -6.9648 -6.9648 -6.9648 -3.9945 -3.9945 -3.9945 -3.9945 3.2322 3.2322 3.2322 3.2322 6.2341 6.2341 6.2341 6.2341 6.3299 6.3299 6.3299 6.3299 8.6444 8.6444 8.6444 8.6444 11.2555 11.2555 11.2555 11.2555 k = 0.0114 0.0066 0.3002 ( 3038 PWs) bands (ev): -7.8723 -7.8723 -7.8703 -7.8703 -7.8602 -7.8602 -7.8601 -7.8601 -7.0851 -7.0851 -7.0816 -7.0816 -7.0029 -7.0029 -7.0024 -7.0024 -6.9648 -6.9648 -6.9648 -6.9648 -3.9936 -3.9936 -3.9930 -3.9930 3.2310 3.2310 3.2327 3.2327 6.2227 6.2227 6.2336 6.2336 6.3239 6.3239 6.3244 6.3244 8.6508 8.6508 8.6574 8.6574 11.2469 11.2469 11.2582 11.2582 k = 0.0227 0.0131 0.3002 ( 3042 PWs) bands (ev): -7.8737 -7.8737 -7.8698 -7.8698 -7.8598 -7.8598 -7.8596 -7.8596 -7.0870 -7.0870 -7.0800 -7.0800 -7.0031 -7.0031 -7.0020 -7.0020 -6.9649 -6.9649 -6.9649 -6.9649 -3.9904 -3.9904 -3.9891 -3.9891 3.2290 3.2290 3.2324 3.2324 6.1973 6.1973 6.2208 6.2208 6.3073 6.3073 6.3103 6.3103 8.6762 8.6762 8.6889 8.6889 11.2304 11.2304 11.2540 11.2540 k = 0.0341 0.0197 0.3002 ( 3038 PWs) bands (ev): -7.8753 -7.8753 -7.8696 -7.8696 -7.8592 -7.8592 -7.8587 -7.8587 -7.0889 -7.0889 -7.0784 -7.0784 -7.0032 -7.0032 -7.0016 -7.0016 -6.9649 -6.9649 -6.9649 -6.9649 -3.9848 -3.9848 -3.9828 -3.9828 3.2261 3.2261 3.2312 3.2312 6.1556 6.1556 6.1923 6.1923 6.2848 6.2848 6.2919 6.2919 8.7190 8.7190 8.7369 8.7369 11.2033 11.2033 11.2389 11.2389 k = 0.0455 0.0262 0.3002 ( 3036 PWs) bands (ev): -7.8769 -7.8769 -7.8698 -7.8698 -7.8585 -7.8585 -7.8575 -7.8575 -7.0908 -7.0908 -7.0769 -7.0769 -7.0032 -7.0032 -7.0011 -7.0011 -6.9650 -6.9650 -6.9649 -6.9649 -3.9768 -3.9768 -3.9743 -3.9743 3.2223 3.2223 3.2291 3.2291 6.0976 6.0976 6.1454 6.1454 6.2615 6.2615 6.2715 6.2715 8.7769 8.7769 8.7987 8.7987 11.1642 11.1642 11.2097 11.2097 k = 0.0568 0.0328 0.3002 ( 3040 PWs) bands (ev): -7.8786 -7.8786 -7.8701 -7.8701 -7.8578 -7.8578 -7.8561 -7.8561 -7.0928 -7.0928 -7.0756 -7.0756 -7.0032 -7.0032 -7.0006 -7.0006 -6.9650 -6.9650 -6.9649 -6.9649 -3.9665 -3.9665 -3.9634 -3.9634 3.2173 3.2173 3.2258 3.2258 6.0259 6.0259 6.0819 6.0819 6.2384 6.2384 6.2495 6.2495 8.8468 8.8468 8.8713 8.8713 11.1153 11.1153 11.1676 11.1676 k = 0.0682 0.0394 0.3002 ( 3040 PWs) bands (ev): -7.8803 -7.8803 -7.8706 -7.8706 -7.8569 -7.8569 -7.8547 -7.8547 -7.0947 -7.0947 -7.0743 -7.0743 -7.0031 -7.0031 -7.0000 -7.0000 -6.9651 -6.9651 -6.9649 -6.9649 -3.9538 -3.9538 -3.9502 -3.9502 3.2109 3.2109 3.2211 3.2211 5.9437 5.9437 6.0062 6.0062 6.2141 6.2141 6.2255 6.2255 8.9256 8.9256 8.9513 8.9513 11.0602 11.0602 11.1173 11.1173 k = 0.0795 0.0459 0.3002 ( 3040 PWs) bands (ev): -7.8820 -7.8820 -7.8711 -7.8711 -7.8561 -7.8561 -7.8532 -7.8532 -7.0967 -7.0967 -7.0732 -7.0732 -7.0029 -7.0029 -6.9995 -6.9995 -6.9653 -6.9653 -6.9649 -6.9649 -3.9388 -3.9388 -3.9347 -3.9347 3.2028 3.2028 3.2148 3.2148 5.8541 5.8541 5.9217 5.9217 6.1879 6.1879 6.1991 6.1991 9.0099 9.0099 9.0356 9.0356 11.0026 11.0026 11.0636 11.0636 k = 0.0909 0.0525 0.3002 ( 3042 PWs) bands (ev): -7.8838 -7.8838 -7.8717 -7.8717 -7.8552 -7.8552 -7.8517 -7.8517 -7.0986 -7.0986 -7.0721 -7.0721 -7.0026 -7.0026 -6.9989 -6.9989 -6.9654 -6.9654 -6.9648 -6.9648 -3.9216 -3.9216 -3.9169 -3.9169 3.1927 3.1927 3.2065 3.2065 5.7596 5.7596 5.8316 5.8316 6.1593 6.1593 6.1703 6.1703 9.0964 9.0964 9.1208 9.1208 10.9457 10.9457 11.0103 11.0103 k = 0.1023 0.0590 0.3002 ( 3042 PWs) bands (ev): -7.8854 -7.8854 -7.8724 -7.8724 -7.8543 -7.8543 -7.8502 -7.8502 -7.1005 -7.1005 -7.0712 -7.0712 -7.0023 -7.0023 -6.9984 -6.9984 -6.9655 -6.9655 -6.9647 -6.9647 -3.9020 -3.9020 -3.8970 -3.8970 3.1803 3.1803 3.1957 3.1957 5.6625 5.6625 5.7383 5.7383 6.1283 6.1283 6.1392 6.1392 9.1817 9.1817 9.2037 9.2037 10.8923 10.8923 10.9608 10.9608 k = 0.1136 0.0656 0.3002 ( 3046 PWs) bands (ev): -7.8871 -7.8871 -7.8730 -7.8730 -7.8533 -7.8533 -7.8488 -7.8488 -7.1024 -7.1024 -7.0705 -7.0705 -7.0019 -7.0019 -6.9978 -6.9978 -6.9656 -6.9656 -6.9646 -6.9646 -3.8803 -3.8803 -3.8748 -3.8748 3.1650 3.1650 3.1820 3.1820 5.5646 5.5646 5.6436 5.6436 6.0952 6.0952 6.1059 6.1059 9.2622 9.2622 9.2808 9.2808 10.8450 10.8450 10.9176 10.9176 k = 0.1250 0.0722 0.3002 ( 3056 PWs) bands (ev): -7.8887 -7.8887 -7.8737 -7.8737 -7.8524 -7.8524 -7.8474 -7.8474 -7.1041 -7.1041 -7.0698 -7.0698 -7.0015 -7.0015 -6.9973 -6.9973 -6.9658 -6.9658 -6.9643 -6.9643 -3.8563 -3.8563 -3.8506 -3.8506 3.1463 3.1463 3.1649 3.1649 5.4676 5.4676 5.5494 5.5494 6.0600 6.0600 6.0706 6.0706 9.3343 9.3343 9.3487 9.3487 10.8065 10.8065 10.8830 10.8830 k = 0.1364 0.0787 0.3002 ( 3064 PWs) bands (ev): -7.8903 -7.8903 -7.8743 -7.8743 -7.8515 -7.8515 -7.8460 -7.8460 -7.1059 -7.1059 -7.0693 -7.0693 -7.0010 -7.0010 -6.9968 -6.9968 -6.9659 -6.9659 -6.9641 -6.9641 -3.8302 -3.8302 -3.8242 -3.8242 3.1238 3.1238 3.1438 3.1438 5.3732 5.3732 5.4572 5.4572 6.0231 6.0231 6.0336 6.0336 9.3945 9.3945 9.4044 9.4044 10.7787 10.7787 10.8590 10.8590 k = 0.1477 0.0853 0.3002 ( 3064 PWs) bands (ev): -7.8919 -7.8919 -7.8750 -7.8750 -7.8505 -7.8505 -7.8447 -7.8447 -7.1075 -7.1075 -7.0690 -7.0690 -7.0005 -7.0005 -6.9963 -6.9963 -6.9660 -6.9660 -6.9637 -6.9637 -3.8020 -3.8020 -3.7958 -3.7958 3.0969 3.0969 3.1180 3.1180 5.2825 5.2825 5.3684 5.3684 5.9846 5.9846 5.9951 5.9951 9.4398 9.4398 9.4453 9.4453 10.7633 10.7633 10.8464 10.8464 k = 0.1591 0.0919 0.3002 ( 3066 PWs) bands (ev): -7.8934 -7.8934 -7.8757 -7.8757 -7.8496 -7.8496 -7.8435 -7.8435 -7.1090 -7.1090 -7.0687 -7.0687 -6.9999 -6.9999 -6.9959 -6.9959 -6.9660 -6.9660 -6.9633 -6.9633 -3.7717 -3.7717 -3.7654 -3.7654 3.0650 3.0650 3.0871 3.0871 5.1969 5.1969 5.2842 5.2842 5.9450 5.9450 5.9554 5.9554 9.4682 9.4682 9.4700 9.4700 10.7604 10.7604 10.8448 10.8448 k = 0.1705 0.0984 0.3002 ( 3070 PWs) bands (ev): -7.8948 -7.8948 -7.8765 -7.8765 -7.8486 -7.8486 -7.8424 -7.8424 -7.1105 -7.1105 -7.0686 -7.0686 -6.9994 -6.9994 -6.9956 -6.9956 -6.9661 -6.9661 -6.9628 -6.9628 -3.7395 -3.7395 -3.7331 -3.7331 3.0277 3.0277 3.0503 3.0503 5.1175 5.1175 5.2056 5.2056 5.9043 5.9043 5.9147 5.9147 9.4784 9.4784 9.4793 9.4793 10.7683 10.7683 10.8519 10.8519 k = 0.1818 0.1050 0.3002 ( 3070 PWs) bands (ev): -7.8962 -7.8962 -7.8772 -7.8772 -7.8477 -7.8477 -7.8413 -7.8413 -7.1118 -7.1118 -7.0686 -7.0686 -6.9988 -6.9988 -6.9953 -6.9953 -6.9660 -6.9660 -6.9622 -6.9622 -3.7054 -3.7054 -3.6989 -3.6989 2.9845 2.9845 3.0074 3.0074 5.0451 5.0451 5.1334 5.1334 5.8630 5.8630 5.8734 5.8734 9.4720 9.4720 9.4742 9.4742 10.7837 10.7837 10.8643 10.8643 k = 0.1932 0.1115 0.3002 ( 3070 PWs) bands (ev): -7.8975 -7.8975 -7.8779 -7.8779 -7.8468 -7.8468 -7.8403 -7.8403 -7.1130 -7.1130 -7.0688 -7.0688 -6.9982 -6.9982 -6.9950 -6.9950 -6.9659 -6.9659 -6.9615 -6.9615 -3.6695 -3.6695 -3.6630 -3.6630 2.9352 2.9352 2.9579 2.9579 4.9804 4.9804 5.0684 5.0684 5.8212 5.8212 5.8315 5.8315 9.4527 9.4527 9.4554 9.4554 10.8020 10.8020 10.8779 10.8779 k = 0.2045 0.1181 0.3002 ( 3068 PWs) bands (ev): -7.8988 -7.8988 -7.8787 -7.8787 -7.8459 -7.8459 -7.8394 -7.8394 -7.1141 -7.1141 -7.0690 -7.0690 -6.9976 -6.9976 -6.9948 -6.9948 -6.9658 -6.9658 -6.9608 -6.9608 -3.6318 -3.6318 -3.6253 -3.6253 2.8797 2.8797 2.9018 2.9018 4.9238 4.9238 5.0110 5.0110 5.7792 5.7792 5.7895 5.7895 9.4232 9.4232 9.4254 9.4254 10.8187 10.8187 10.8884 10.8884 k = 0.2159 0.1247 0.3002 ( 3072 PWs) bands (ev): -7.8999 -7.8999 -7.8795 -7.8795 -7.8451 -7.8451 -7.8386 -7.8386 -7.1151 -7.1151 -7.0694 -7.0694 -6.9971 -6.9971 -6.9947 -6.9947 -6.9655 -6.9655 -6.9599 -6.9599 -3.5924 -3.5924 -3.5861 -3.5861 2.8181 2.8181 2.8392 2.8392 4.8756 4.8756 4.9614 4.9614 5.7372 5.7372 5.7474 5.7474 9.3858 9.3858 9.3871 9.3871 10.8301 10.8301 10.8927 10.8927 k = 0.2273 0.1312 0.3002 ( 3072 PWs) bands (ev): -7.9011 -7.9011 -7.8803 -7.8803 -7.8442 -7.8442 -7.8378 -7.8378 -7.1159 -7.1159 -7.0699 -7.0699 -6.9965 -6.9965 -6.9946 -6.9946 -6.9652 -6.9652 -6.9591 -6.9591 -3.5516 -3.5516 -3.5454 -3.5454 2.7507 2.7507 2.7704 2.7704 4.8356 4.8356 4.9195 4.9195 5.6954 5.6954 5.7056 5.7056 9.3427 9.3427 9.3428 9.3428 10.8334 10.8334 10.8889 10.8889 k = 0.2386 0.1378 0.3002 ( 3068 PWs) bands (ev): -7.9021 -7.9021 -7.8812 -7.8812 -7.8434 -7.8434 -7.8372 -7.8372 -7.1166 -7.1166 -7.0706 -7.0706 -6.9960 -6.9960 -6.9946 -6.9946 -6.9648 -6.9648 -6.9581 -6.9581 -3.5093 -3.5093 -3.5034 -3.5034 2.6778 2.6778 2.6959 2.6959 4.8035 4.8035 4.8851 4.8851 5.6540 5.6540 5.6642 5.6642 9.2944 9.2944 9.2956 9.2956 10.8277 10.8277 10.8764 10.8764 k = 0.2500 0.1443 0.3002 ( 3064 PWs) bands (ev): -7.9031 -7.9031 -7.8820 -7.8820 -7.8426 -7.8426 -7.8365 -7.8365 -7.1171 -7.1171 -7.0713 -7.0713 -6.9956 -6.9956 -6.9946 -6.9946 -6.9643 -6.9643 -6.9572 -6.9572 -3.4658 -3.4658 -3.4601 -3.4601 2.6001 2.6001 2.6164 2.6164 4.7788 4.7788 4.8579 4.8579 5.6133 5.6133 5.6233 5.6233 9.2434 9.2434 9.2459 9.2459 10.8128 10.8128 10.8554 10.8554 k = 0.2614 0.1509 0.3002 ( 3074 PWs) bands (ev): -7.9040 -7.9040 -7.8829 -7.8829 -7.8418 -7.8418 -7.8360 -7.8360 -7.1175 -7.1175 -7.0721 -7.0721 -6.9952 -6.9952 -6.9946 -6.9946 -6.9637 -6.9637 -6.9562 -6.9562 -3.4211 -3.4211 -3.4157 -3.4157 2.5183 2.5183 2.5327 2.5327 4.7610 4.7610 4.8373 4.8373 5.5733 5.5733 5.5833 5.5833 9.1909 9.1909 9.1947 9.1947 10.7896 10.7896 10.8269 10.8269 k = 0.2727 0.1575 0.3002 ( 3066 PWs) bands (ev): -7.9048 -7.9048 -7.8838 -7.8838 -7.8411 -7.8411 -7.8355 -7.8355 -7.1178 -7.1178 -7.0730 -7.0730 -6.9948 -6.9948 -6.9947 -6.9947 -6.9630 -6.9630 -6.9552 -6.9552 -3.3755 -3.3755 -3.3704 -3.3704 2.4333 2.4333 2.4456 2.4456 4.7494 4.7494 4.8227 4.8227 5.5343 5.5343 5.5442 5.5442 9.1380 9.1380 9.1430 9.1430 10.7595 10.7595 10.7921 10.7921 k = 0.2841 0.1640 0.3002 ( 3068 PWs) bands (ev): -7.9055 -7.9055 -7.8848 -7.8848 -7.8404 -7.8404 -7.8351 -7.8351 -7.1179 -7.1179 -7.0740 -7.0740 -6.9948 -6.9948 -6.9945 -6.9945 -6.9623 -6.9623 -6.9542 -6.9542 -3.3291 -3.3291 -3.3243 -3.3243 2.3457 2.3457 2.3561 2.3561 4.7432 4.7432 4.8134 4.8134 5.4964 5.4964 5.5062 5.5062 9.0851 9.0851 9.0913 9.0913 10.7236 10.7236 10.7523 10.7523 k = 0.2955 0.1706 0.3002 ( 3076 PWs) bands (ev): -7.9062 -7.9062 -7.8858 -7.8858 -7.8397 -7.8397 -7.8347 -7.8347 -7.1179 -7.1179 -7.0751 -7.0751 -6.9949 -6.9949 -6.9943 -6.9943 -6.9615 -6.9615 -6.9532 -6.9532 -3.2820 -3.2820 -3.2776 -3.2776 2.2564 2.2564 2.2650 2.2650 4.7418 4.7418 4.8088 4.8088 5.4597 5.4597 5.4694 5.4694 9.0329 9.0329 9.0401 9.0401 10.6833 10.6833 10.7087 10.7087 k = 0.3068 0.1771 0.3002 ( 3074 PWs) bands (ev): -7.9068 -7.9068 -7.8868 -7.8868 -7.8391 -7.8391 -7.8344 -7.8344 -7.1178 -7.1178 -7.0763 -7.0763 -6.9950 -6.9950 -6.9941 -6.9941 -6.9606 -6.9606 -6.9522 -6.9522 -3.2347 -3.2347 -3.2306 -3.2306 2.1663 2.1663 2.1732 2.1732 4.7444 4.7444 4.8082 4.8082 5.4244 5.4244 5.4340 5.4340 8.9819 8.9819 8.9899 8.9899 10.6400 10.6400 10.6626 10.6626 k = 0.3182 0.1837 0.3002 ( 3074 PWs) bands (ev): -7.9073 -7.9073 -7.8878 -7.8878 -7.8385 -7.8385 -7.8341 -7.8341 -7.1176 -7.1176 -7.0775 -7.0775 -6.9950 -6.9950 -6.9939 -6.9939 -6.9596 -6.9596 -6.9513 -6.9513 -3.1871 -3.1871 -3.1835 -3.1835 2.0761 2.0761 2.0815 2.0815 4.7503 4.7503 4.8110 4.8110 5.3906 5.3906 5.4000 5.4000 8.9324 8.9324 8.9411 8.9411 10.5946 10.5946 10.6148 10.6148 k = 0.3295 0.1903 0.3002 ( 3074 PWs) bands (ev): -7.9077 -7.9077 -7.8888 -7.8888 -7.8379 -7.8379 -7.8339 -7.8339 -7.1172 -7.1172 -7.0788 -7.0788 -6.9951 -6.9951 -6.9938 -6.9938 -6.9586 -6.9586 -6.9504 -6.9504 -3.1397 -3.1397 -3.1365 -3.1365 1.9866 1.9866 1.9906 1.9906 4.7591 4.7591 4.8165 4.8165 5.3584 5.3584 5.3677 5.3677 8.8846 8.8846 8.8939 8.8939 10.5483 10.5483 10.5663 10.5663 k = 0.3409 0.1968 0.3002 ( 3078 PWs) bands (ev): -7.9080 -7.9080 -7.8899 -7.8899 -7.8374 -7.8374 -7.8337 -7.8337 -7.1167 -7.1167 -7.0801 -7.0801 -6.9952 -6.9952 -6.9937 -6.9937 -6.9576 -6.9576 -6.9495 -6.9495 -3.0928 -3.0928 -3.0899 -3.0899 1.8985 1.8985 1.9012 1.9012 4.7700 4.7700 4.8242 4.8242 5.3279 5.3279 5.3370 5.3370 8.8388 8.8388 8.8486 8.8486 10.5018 10.5018 10.5179 10.5179 k = 0.3523 0.2034 0.3002 ( 3086 PWs) bands (ev): -7.9083 -7.9083 -7.8910 -7.8910 -7.8369 -7.8369 -7.8335 -7.8335 -7.1161 -7.1161 -7.0815 -7.0815 -6.9953 -6.9953 -6.9937 -6.9937 -6.9565 -6.9565 -6.9487 -6.9487 -3.0465 -3.0465 -3.0440 -3.0440 1.8126 1.8126 1.8142 1.8142 4.7826 4.7826 4.8336 4.8336 5.2993 5.2993 5.3082 5.3082 8.7953 8.7953 8.8053 8.8053 10.4559 10.4559 10.4702 10.4702 k = 0.3636 0.2099 0.3002 ( 3082 PWs) bands (ev): -7.9085 -7.9085 -7.8921 -7.8921 -7.8365 -7.8365 -7.8333 -7.8333 -7.1155 -7.1155 -7.0830 -7.0830 -6.9954 -6.9954 -6.9937 -6.9937 -6.9555 -6.9555 -6.9480 -6.9480 -3.0013 -3.0013 -2.9991 -2.9991 1.7294 1.7294 1.7302 1.7302 4.7964 4.7964 4.8441 4.8441 5.2725 5.2725 5.2812 5.2812 8.7543 8.7543 8.7644 8.7644 10.4112 10.4112 10.4240 10.4240 k = 0.3750 0.2165 0.3002 ( 3082 PWs) bands (ev): -7.9085 -7.9085 -7.8932 -7.8932 -7.8360 -7.8360 -7.8332 -7.8332 -7.1147 -7.1147 -7.0845 -7.0845 -6.9954 -6.9954 -6.9937 -6.9937 -6.9544 -6.9544 -6.9473 -6.9473 -2.9575 -2.9575 -2.9557 -2.9557 1.6498 1.6498 1.6498 1.6498 4.8109 4.8109 4.8553 4.8553 5.2478 5.2478 5.2562 5.2562 8.7158 8.7158 8.7259 8.7259 10.3682 10.3682 10.3796 10.3796 k = 0.3864 0.2231 0.3002 ( 3072 PWs) bands (ev): -7.9085 -7.9085 -7.8943 -7.8943 -7.8356 -7.8356 -7.8331 -7.8331 -7.1138 -7.1138 -7.0860 -7.0860 -6.9954 -6.9954 -6.9937 -6.9937 -6.9534 -6.9534 -6.9467 -6.9467 -2.9155 -2.9155 -2.9140 -2.9140 1.5738 1.5738 1.5743 1.5743 4.8257 4.8257 4.8667 4.8667 5.2251 5.2251 5.2333 5.2333 8.6801 8.6801 8.6900 8.6900 10.3276 10.3276 10.3377 10.3377 k = 0.3977 0.2296 0.3002 ( 3064 PWs) bands (ev): -7.9085 -7.9085 -7.8954 -7.8954 -7.8353 -7.8353 -7.8331 -7.8331 -7.1128 -7.1128 -7.0875 -7.0875 -6.9954 -6.9954 -6.9938 -6.9938 -6.9524 -6.9524 -6.9462 -6.9462 -2.8758 -2.8758 -2.8745 -2.8745 1.5026 1.5026 1.5035 1.5035 4.8404 4.8404 4.8780 4.8780 5.2047 5.2047 5.2124 5.2124 8.6474 8.6474 8.6569 8.6569 10.2897 10.2897 10.2985 10.2985 k = 0.4091 0.2362 0.3002 ( 3076 PWs) bands (ev): -7.9083 -7.9083 -7.8965 -7.8965 -7.8350 -7.8350 -7.8330 -7.8330 -7.1118 -7.1118 -7.0890 -7.0890 -6.9954 -6.9954 -6.9939 -6.9939 -6.9514 -6.9514 -6.9458 -6.9458 -2.8386 -2.8386 -2.8376 -2.8376 1.4369 1.4369 1.4381 1.4381 4.8547 4.8547 4.8887 4.8887 5.1864 5.1864 5.1937 5.1937 8.6178 8.6178 8.6267 8.6267 10.2549 10.2549 10.2625 10.2625 k = 0.4205 0.2427 0.3002 ( 3080 PWs) bands (ev): -7.9081 -7.9081 -7.8976 -7.8976 -7.8347 -7.8347 -7.8330 -7.8330 -7.1107 -7.1107 -7.0906 -7.0906 -6.9954 -6.9954 -6.9940 -6.9940 -6.9504 -6.9504 -6.9454 -6.9454 -2.8045 -2.8045 -2.8038 -2.8038 1.3774 1.3774 1.3787 1.3787 4.8683 4.8683 4.8985 4.8985 5.1704 5.1704 5.1772 5.1772 8.5913 8.5913 8.5996 8.5996 10.2234 10.2234 10.2300 10.2300 k = 0.4318 0.2493 0.3002 ( 3088 PWs) bands (ev): -7.9077 -7.9077 -7.8986 -7.8986 -7.8344 -7.8344 -7.8330 -7.8330 -7.1095 -7.1095 -7.0921 -7.0921 -6.9954 -6.9954 -6.9941 -6.9941 -6.9496 -6.9496 -6.9452 -6.9452 -2.7739 -2.7739 -2.7733 -2.7733 1.3245 1.3245 1.3259 1.3259 4.8808 4.8808 4.9072 4.9072 5.1567 5.1567 5.1628 5.1628 8.5683 8.5683 8.5756 8.5756 10.1957 10.1957 10.2012 10.2012 k = 0.4432 0.2559 0.3002 ( 3096 PWs) bands (ev): -7.9073 -7.9073 -7.8997 -7.8997 -7.8342 -7.8342 -7.8330 -7.8330 -7.1082 -7.1082 -7.0937 -7.0937 -6.9953 -6.9953 -6.9942 -6.9942 -6.9487 -6.9487 -6.9450 -6.9450 -2.7472 -2.7472 -2.7467 -2.7467 1.2787 1.2787 1.2801 1.2801 4.8921 4.8921 4.9144 4.9144 5.1453 5.1453 5.1507 5.1507 8.5486 8.5486 8.5550 8.5550 10.1719 10.1719 10.1764 10.1764 k = 0.4545 0.2624 0.3002 ( 3092 PWs) bands (ev): -7.9068 -7.9068 -7.9007 -7.9007 -7.8339 -7.8339 -7.8330 -7.8330 -7.1069 -7.1069 -7.0953 -7.0953 -6.9952 -6.9952 -6.9943 -6.9943 -6.9480 -6.9480 -6.9450 -6.9450 -2.7247 -2.7247 -2.7244 -2.7244 1.2407 1.2407 1.2418 1.2418 4.9020 4.9020 4.9201 4.9201 5.1363 5.1363 5.1408 5.1408 8.5326 8.5326 8.5378 8.5378 10.1522 10.1522 10.1558 10.1558 k = 0.4659 0.2690 0.3002 ( 3092 PWs) bands (ev): -7.9063 -7.9063 -7.9016 -7.9016 -7.8337 -7.8337 -7.8331 -7.8331 -7.1056 -7.1056 -7.0968 -7.0968 -6.9952 -6.9952 -6.9945 -6.9945 -6.9473 -6.9473 -6.9450 -6.9450 -2.7068 -2.7068 -2.7066 -2.7066 1.2106 1.2106 1.2116 1.2116 4.9103 4.9103 4.9240 4.9240 5.1295 5.1295 5.1330 5.1330 8.5202 8.5202 8.5242 8.5242 10.1369 10.1369 10.1395 10.1395 k = 0.4773 0.2756 0.3002 ( 3088 PWs) bands (ev): -7.9057 -7.9057 -7.9025 -7.9025 -7.8336 -7.8336 -7.8331 -7.8331 -7.1042 -7.1042 -7.0983 -7.0983 -6.9951 -6.9951 -6.9946 -6.9946 -6.9467 -6.9467 -6.9452 -6.9452 -2.6938 -2.6938 -2.6937 -2.6937 1.1890 1.1890 1.1896 1.1896 4.9169 4.9169 4.9262 4.9262 5.1249 5.1249 5.1273 5.1273 8.5115 8.5115 8.5142 8.5142 10.1259 10.1259 10.1277 10.1277 k = 0.4886 0.2821 0.3002 ( 3088 PWs) bands (ev): -7.9050 -7.9050 -7.9034 -7.9034 -7.8334 -7.8334 -7.8332 -7.8332 -7.1028 -7.1028 -7.0998 -7.0998 -6.9949 -6.9949 -6.9947 -6.9947 -6.9462 -6.9462 -6.9454 -6.9454 -2.6859 -2.6859 -2.6859 -2.6859 1.1760 1.1760 1.1763 1.1763 4.9219 4.9219 4.9265 4.9265 5.1224 5.1224 5.1236 5.1236 8.5065 8.5065 8.5079 8.5079 10.1195 10.1195 10.1204 10.1204 k = 0.5000 0.2887 0.3002 ( 3092 PWs) bands (ev): -7.9042 -7.9042 -7.9042 -7.9042 -7.8333 -7.8333 -7.8333 -7.8333 -7.1013 -7.1013 -7.1013 -7.1013 -6.9948 -6.9948 -6.9948 -6.9948 -6.9457 -6.9457 -6.9457 -6.9457 -2.6833 -2.6833 -2.6833 -2.6833 1.1717 1.1717 1.1717 1.1717 4.9251 4.9251 4.9251 4.9251 5.1220 5.1220 5.1220 5.1220 8.5053 8.5053 8.5053 8.5053 10.1177 10.1177 10.1177 10.1177 k = 0.5000 0.2887 0.3002 ( 3092 PWs) bands (ev): -7.9042 -7.9042 -7.9042 -7.9042 -7.8333 -7.8333 -7.8333 -7.8333 -7.1013 -7.1013 -7.1013 -7.1013 -6.9948 -6.9948 -6.9948 -6.9948 -6.9457 -6.9457 -6.9457 -6.9457 -2.6833 -2.6833 -2.6833 -2.6833 1.1717 1.1717 1.1717 1.1717 4.9251 4.9251 4.9251 4.9251 5.1220 5.1220 5.1220 5.1220 8.5053 8.5053 8.5053 8.5053 10.1177 10.1177 10.1177 10.1177 k = 0.4936 0.2998 0.3002 ( 3088 PWs) bands (ev): -7.9060 -7.9060 -7.9024 -7.9024 -7.8341 -7.8341 -7.8325 -7.8325 -7.1039 -7.1039 -7.0988 -7.0988 -6.9953 -6.9953 -6.9943 -6.9943 -6.9463 -6.9463 -6.9452 -6.9452 -2.6827 -2.6827 -2.6825 -2.6825 1.1716 1.1716 1.1724 1.1724 4.9026 4.9026 4.9368 4.9368 5.1033 5.1033 5.1399 5.1399 8.5074 8.5074 8.5147 8.5147 10.1199 10.1199 10.1239 10.1239 k = 0.4872 0.3109 0.3002 ( 3098 PWs) bands (ev): -7.9078 -7.9078 -7.9006 -7.9006 -7.8348 -7.8348 -7.8317 -7.8317 -7.1066 -7.1066 -7.0963 -7.0963 -6.9957 -6.9957 -6.9937 -6.9937 -6.9470 -6.9470 -6.9447 -6.9447 -2.6809 -2.6809 -2.6804 -2.6804 1.1722 1.1722 1.1738 1.1738 4.8712 4.8712 4.9337 4.9337 5.0880 5.0880 5.1548 5.1548 8.5208 8.5208 8.5352 8.5352 10.1307 10.1307 10.1385 10.1385 k = 0.4808 0.3220 0.3002 ( 3098 PWs) bands (ev): -7.9095 -7.9095 -7.8989 -7.8989 -7.8355 -7.8355 -7.8308 -7.8308 -7.1092 -7.1092 -7.0939 -7.0939 -6.9961 -6.9961 -6.9931 -6.9931 -6.9477 -6.9477 -6.9443 -6.9443 -2.6777 -2.6777 -2.6770 -2.6770 1.1734 1.1734 1.1758 1.1758 4.8317 4.8317 4.9119 4.9119 5.0809 5.0809 5.1665 5.1665 8.5449 8.5449 8.5658 8.5658 10.1500 10.1500 10.1619 10.1619 k = 0.4744 0.3331 0.3002 ( 3094 PWs) bands (ev): -7.9112 -7.9112 -7.8972 -7.8972 -7.8362 -7.8362 -7.8299 -7.8299 -7.1118 -7.1118 -7.0915 -7.0915 -6.9964 -6.9964 -6.9925 -6.9925 -6.9484 -6.9484 -6.9440 -6.9440 -2.6733 -2.6733 -2.6723 -2.6723 1.1752 1.1752 1.1784 1.1784 4.7845 4.7845 4.8725 4.8725 5.0820 5.0820 5.1757 5.1757 8.5782 8.5782 8.6050 8.6050 10.1784 10.1784 10.1943 10.1943 k = 0.4679 0.3442 0.3002 ( 3094 PWs) bands (ev): -7.9129 -7.9129 -7.8955 -7.8955 -7.8368 -7.8368 -7.8289 -7.8289 -7.1145 -7.1145 -7.0893 -7.0893 -6.9966 -6.9966 -6.9918 -6.9918 -6.9492 -6.9492 -6.9437 -6.9437 -2.6676 -2.6676 -2.6664 -2.6664 1.1775 1.1775 1.1816 1.1816 4.7298 4.7298 4.8200 4.8200 5.0882 5.0882 5.1830 5.1830 8.6193 8.6193 8.6510 8.6510 10.2161 10.2161 10.2361 10.2361 k = 0.4615 0.3553 0.3002 ( 3090 PWs) bands (ev): -7.9145 -7.9145 -7.8939 -7.8939 -7.8374 -7.8374 -7.8280 -7.8280 -7.1170 -7.1170 -7.0872 -7.0872 -6.9967 -6.9967 -6.9910 -6.9910 -6.9501 -6.9501 -6.9434 -6.9434 -2.6607 -2.6607 -2.6594 -2.6594 1.1803 1.1803 1.1852 1.1852 4.6683 4.6683 4.7582 4.7582 5.0969 5.0969 5.1893 5.1893 8.6661 8.6661 8.7019 8.7019 10.2636 10.2636 10.2876 10.2876 k = 0.4551 0.3664 0.3002 ( 3088 PWs) bands (ev): -7.9161 -7.9161 -7.8923 -7.8923 -7.8379 -7.8379 -7.8270 -7.8270 -7.1195 -7.1195 -7.0853 -7.0853 -6.9968 -6.9968 -6.9903 -6.9903 -6.9510 -6.9510 -6.9432 -6.9432 -2.6527 -2.6527 -2.6512 -2.6512 1.1835 1.1835 1.1892 1.1892 4.6009 4.6009 4.6898 4.6898 5.1068 5.1068 5.1950 5.1950 8.7166 8.7166 8.7556 8.7556 10.3212 10.3212 10.3491 10.3491 k = 0.4487 0.3775 0.3002 ( 3092 PWs) bands (ev): -7.9175 -7.9175 -7.8909 -7.8909 -7.8384 -7.8384 -7.8260 -7.8260 -7.1220 -7.1220 -7.0835 -7.0835 -6.9968 -6.9968 -6.9895 -6.9895 -6.9520 -6.9520 -6.9430 -6.9430 -2.6436 -2.6436 -2.6419 -2.6419 1.1870 1.1870 1.1935 1.1935 4.5288 4.5288 4.6167 4.6167 5.1175 5.1175 5.2007 5.2007 8.7688 8.7688 8.8103 8.8103 10.3891 10.3891 10.4206 10.4206 k = 0.4423 0.3886 0.3002 ( 3092 PWs) bands (ev): -7.9189 -7.9189 -7.8895 -7.8895 -7.8388 -7.8388 -7.8250 -7.8250 -7.1243 -7.1243 -7.0818 -7.0818 -6.9967 -6.9967 -6.9887 -6.9887 -6.9530 -6.9530 -6.9429 -6.9429 -2.6336 -2.6336 -2.6317 -2.6317 1.1907 1.1907 1.1979 1.1979 4.4531 4.4531 4.5406 4.5406 5.1286 5.1286 5.2065 5.2065 8.8211 8.8211 8.8643 8.8643 10.4672 10.4672 10.5020 10.5020 k = 0.4359 0.3997 0.3002 ( 3100 PWs) bands (ev): -7.9203 -7.9203 -7.8882 -7.8882 -7.8391 -7.8391 -7.8240 -7.8240 -7.1266 -7.1266 -7.0803 -7.0803 -6.9965 -6.9965 -6.9878 -6.9878 -6.9540 -6.9540 -6.9428 -6.9428 -2.6226 -2.6226 -2.6207 -2.6207 1.1945 1.1945 1.2025 1.2025 4.3751 4.3751 4.4627 4.4627 5.1399 5.1399 5.2127 5.2127 8.8718 8.8718 8.9162 8.9162 10.5553 10.5553 10.5927 10.5927 k = 0.4295 0.4108 0.3002 ( 3096 PWs) bands (ev): -7.9215 -7.9215 -7.8871 -7.8871 -7.8395 -7.8395 -7.8230 -7.8230 -7.1288 -7.1288 -7.0790 -7.0790 -6.9963 -6.9963 -6.9869 -6.9869 -6.9551 -6.9551 -6.9428 -6.9428 -2.6108 -2.6108 -2.6089 -2.6089 1.1982 1.1982 1.2070 1.2070 4.2962 4.2962 4.3841 4.3842 5.1515 5.1515 5.2193 5.2193 8.9199 8.9199 8.9651 8.9651 10.6525 10.6525 10.6917 10.6917 k = 0.4231 0.4219 0.3002 ( 3092 PWs) bands (ev): -7.9227 -7.9227 -7.8860 -7.8860 -7.8397 -7.8397 -7.8220 -7.8220 -7.1308 -7.1308 -7.0778 -7.0778 -6.9960 -6.9960 -6.9860 -6.9860 -6.9562 -6.9562 -6.9427 -6.9427 -2.5984 -2.5984 -2.5964 -2.5964 1.2017 1.2017 1.2113 1.2113 4.2173 4.2173 4.3061 4.3061 5.1632 5.1632 5.2263 5.2263 8.9646 8.9646 9.0102 9.0102 10.7572 10.7572 10.7974 10.7974 k = 0.4167 0.4330 0.3002 ( 3084 PWs) bands (ev): -7.9238 -7.9238 -7.8851 -7.8851 -7.8399 -7.8399 -7.8210 -7.8210 -7.1327 -7.1327 -7.0768 -7.0768 -6.9956 -6.9956 -6.9851 -6.9851 -6.9573 -6.9573 -6.9427 -6.9427 -2.5854 -2.5854 -2.5835 -2.5835 1.2049 1.2049 1.2152 1.2152 4.1398 4.1398 4.2294 4.2294 5.1749 5.1749 5.2336 5.2336 9.0053 9.0053 9.0511 9.0511 10.8675 10.8675 10.9075 10.9075 k = 0.4103 0.4441 0.3002 ( 3092 PWs) bands (ev): -7.9248 -7.9248 -7.8843 -7.8843 -7.8401 -7.8401 -7.8201 -7.8201 -7.1345 -7.1345 -7.0760 -7.0760 -6.9952 -6.9952 -6.9841 -6.9841 -6.9584 -6.9584 -6.9427 -6.9427 -2.5721 -2.5721 -2.5702 -2.5702 1.2077 1.2077 1.2187 1.2187 4.0645 4.0645 4.1552 4.1552 5.1866 5.1866 5.2412 5.2412 9.0419 9.0419 9.0876 9.0876 10.9801 10.9801 11.0187 11.0187 k = 0.4038 0.4552 0.3002 ( 3088 PWs) bands (ev): -7.9257 -7.9257 -7.8836 -7.8836 -7.8403 -7.8403 -7.8192 -7.8192 -7.1361 -7.1361 -7.0753 -7.0753 -6.9948 -6.9948 -6.9831 -6.9831 -6.9596 -6.9596 -6.9428 -6.9428 -2.5586 -2.5586 -2.5567 -2.5567 1.2099 1.2099 1.2216 1.2216 3.9923 3.9923 4.0841 4.0841 5.1982 5.1982 5.2489 5.2489 9.0742 9.0742 9.1199 9.1199 11.0904 11.0904 11.1269 11.1269 k = 0.3974 0.4663 0.3002 ( 3092 PWs) bands (ev): -7.9265 -7.9265 -7.8830 -7.8830 -7.8404 -7.8404 -7.8183 -7.8183 -7.1376 -7.1376 -7.0747 -7.0747 -6.9944 -6.9944 -6.9821 -6.9821 -6.9608 -6.9608 -6.9428 -6.9428 -2.5450 -2.5450 -2.5433 -2.5433 1.2114 1.2114 1.2237 1.2237 3.9242 3.9242 4.0170 4.0170 5.2096 5.2096 5.2567 5.2567 9.1022 9.1022 9.1478 9.1478 11.1914 11.1914 11.2265 11.2265 k = 0.3910 0.4774 0.3002 ( 3092 PWs) bands (ev): -7.9273 -7.9273 -7.8825 -7.8825 -7.8405 -7.8405 -7.8175 -7.8175 -7.1389 -7.1389 -7.0743 -7.0743 -6.9940 -6.9940 -6.9810 -6.9810 -6.9619 -6.9619 -6.9428 -6.9428 -2.5316 -2.5316 -2.5300 -2.5300 1.2121 1.2121 1.2251 1.2251 3.8608 3.8608 3.9546 3.9546 5.2205 5.2205 5.2644 5.2644 9.1263 9.1263 9.1717 9.1717 11.2740 11.2740 11.3114 11.3114 k = 0.3846 0.4885 0.3002 ( 3092 PWs) bands (ev): -7.9279 -7.9279 -7.8821 -7.8821 -7.8405 -7.8405 -7.8167 -7.8167 -7.1400 -7.1400 -7.0739 -7.0739 -6.9936 -6.9936 -6.9799 -6.9799 -6.9631 -6.9631 -6.9429 -6.9429 -2.5185 -2.5185 -2.5171 -2.5171 1.2120 1.2120 1.2256 1.2256 3.8027 3.8027 3.8975 3.8975 5.2310 5.2310 5.2719 5.2719 9.1465 9.1465 9.1918 9.1918 11.3301 11.3301 11.3751 11.3751 k = 0.3782 0.4996 0.3002 ( 3096 PWs) bands (ev): -7.9285 -7.9285 -7.8818 -7.8818 -7.8405 -7.8405 -7.8160 -7.8160 -7.1410 -7.1410 -7.0737 -7.0737 -6.9933 -6.9933 -6.9788 -6.9788 -6.9643 -6.9643 -6.9429 -6.9429 -2.5060 -2.5060 -2.5048 -2.5048 1.2112 1.2112 1.2253 1.2253 3.7506 3.7506 3.8462 3.8462 5.2409 5.2409 5.2790 5.2790 9.1630 9.1630 9.2082 9.2082 11.3589 11.3589 11.4137 11.4137 k = 0.3718 0.5107 0.3002 ( 3102 PWs) bands (ev): -7.9290 -7.9290 -7.8816 -7.8816 -7.8405 -7.8405 -7.8154 -7.8154 -7.1419 -7.1419 -7.0735 -7.0735 -6.9929 -6.9929 -6.9777 -6.9777 -6.9654 -6.9654 -6.9429 -6.9429 -2.4944 -2.4944 -2.4933 -2.4933 1.2096 1.2096 1.2242 1.2242 3.7049 3.7049 3.8011 3.8011 5.2500 5.2500 5.2856 5.2856 9.1762 9.1762 9.2212 9.2212 11.3672 11.3672 11.4302 11.4302 k = 0.3654 0.5218 0.3002 ( 3102 PWs) bands (ev): -7.9294 -7.9294 -7.8814 -7.8814 -7.8405 -7.8405 -7.8149 -7.8149 -7.1426 -7.1426 -7.0734 -7.0734 -6.9926 -6.9926 -6.9766 -6.9766 -6.9665 -6.9665 -6.9430 -6.9430 -2.4839 -2.4839 -2.4830 -2.4830 1.2075 1.2075 1.2225 1.2225 3.6659 3.6659 3.7627 3.7627 5.2581 5.2581 5.2915 5.2915 9.1862 9.1862 9.2312 9.2312 11.3634 11.3634 11.4320 11.4320 k = 0.3590 0.5329 0.3002 ( 3104 PWs) bands (ev): -7.9298 -7.9298 -7.8812 -7.8812 -7.8405 -7.8405 -7.8145 -7.8145 -7.1432 -7.1432 -7.0733 -7.0733 -6.9924 -6.9924 -6.9755 -6.9755 -6.9676 -6.9676 -6.9430 -6.9430 -2.4747 -2.4747 -2.4739 -2.4739 1.2049 1.2049 1.2203 1.2203 3.6340 3.6340 3.7311 3.7311 5.2651 5.2651 5.2967 5.2967 9.1935 9.1935 9.2384 9.2384 11.3543 11.3543 11.4263 11.4263 k = 0.3526 0.5440 0.3002 ( 3104 PWs) bands (ev): -7.9300 -7.9300 -7.8812 -7.8812 -7.8405 -7.8405 -7.8142 -7.8142 -7.1436 -7.1436 -7.0733 -7.0733 -6.9922 -6.9922 -6.9745 -6.9745 -6.9687 -6.9687 -6.9430 -6.9430 -2.4670 -2.4670 -2.4665 -2.4665 1.2023 1.2023 1.2180 1.2180 3.6091 3.6091 3.7066 3.7066 5.2709 5.2709 5.3009 5.3009 9.1984 9.1984 9.2432 9.2432 11.3443 11.3443 11.4184 11.4184 k = 0.3462 0.5551 0.3002 ( 3100 PWs) bands (ev): -7.9302 -7.9302 -7.8811 -7.8811 -7.8405 -7.8405 -7.8139 -7.8139 -7.1439 -7.1439 -7.0733 -7.0733 -6.9921 -6.9921 -6.9735 -6.9735 -6.9697 -6.9697 -6.9430 -6.9430 -2.4613 -2.4613 -2.4609 -2.4609 1.1999 1.1999 1.2157 1.2157 3.5915 3.5915 3.6891 3.6891 5.2751 5.2751 5.3041 5.3041 9.2013 9.2013 9.2461 9.2461 11.3360 11.3360 11.4112 11.4112 k = 0.3397 0.5662 0.3002 ( 3104 PWs) bands (ev): -7.9303 -7.9303 -7.8811 -7.8811 -7.8405 -7.8405 -7.8138 -7.8138 -7.1441 -7.1441 -7.0733 -7.0733 -6.9920 -6.9920 -6.9725 -6.9725 -6.9706 -6.9706 -6.9430 -6.9430 -2.4576 -2.4576 -2.4574 -2.4574 1.1981 1.1981 1.2141 1.2141 3.5810 3.5810 3.6787 3.6787 5.2778 5.2778 5.3061 5.3061 9.2027 9.2027 9.2475 9.2475 11.3306 11.3306 11.4064 11.4064 k = 0.3333 0.5774 0.3002 ( 3108 PWs) bands (ev): -7.9303 -7.9303 -7.8811 -7.8811 -7.8405 -7.8405 -7.8137 -7.8137 -7.1441 -7.1441 -7.0733 -7.0733 -6.9920 -6.9920 -6.9716 -6.9716 -6.9715 -6.9715 -6.9430 -6.9430 -2.4563 -2.4563 -2.4562 -2.4562 1.1974 1.1974 1.2134 1.2134 3.5775 3.5775 3.6753 3.6753 5.2787 5.2787 5.3068 5.3068 9.2031 9.2031 9.2478 9.2478 11.3287 11.3287 11.4047 11.4047 k = 0.3333 0.5774 0.3002 ( 3108 PWs) bands (ev): -7.9303 -7.9303 -7.8811 -7.8811 -7.8405 -7.8405 -7.8137 -7.8137 -7.1441 -7.1441 -7.0733 -7.0733 -6.9920 -6.9920 -6.9716 -6.9716 -6.9715 -6.9715 -6.9430 -6.9430 -2.4563 -2.4563 -2.4562 -2.4562 1.1974 1.1974 1.2134 1.2134 3.5775 3.5775 3.6753 3.6753 5.2787 5.2787 5.3068 5.3068 9.2031 9.2031 9.2478 9.2478 11.3287 11.3287 11.4047 11.4047 k = 0.3268 0.5660 0.3002 ( 3108 PWs) bands (ev): -7.9303 -7.9303 -7.8811 -7.8811 -7.8405 -7.8405 -7.8138 -7.8138 -7.1441 -7.1441 -7.0733 -7.0733 -6.9920 -6.9920 -6.9724 -6.9724 -6.9707 -6.9707 -6.9430 -6.9430 -2.4577 -2.4577 -2.4575 -2.4575 1.1983 1.1983 1.2143 1.2143 3.5811 3.5811 3.6788 3.6788 5.2777 5.2777 5.3061 5.3061 9.2029 9.2029 9.2477 9.2477 11.3306 11.3306 11.4064 11.4064 k = 0.3203 0.5547 0.3002 ( 3100 PWs) bands (ev): -7.9302 -7.9302 -7.8811 -7.8811 -7.8405 -7.8405 -7.8139 -7.8139 -7.1439 -7.1439 -7.0732 -7.0732 -6.9921 -6.9921 -6.9733 -6.9733 -6.9699 -6.9699 -6.9430 -6.9430 -2.4621 -2.4621 -2.4617 -2.4617 1.2013 1.2013 1.2172 1.2172 3.5914 3.5914 3.6891 3.6891 5.2747 5.2747 5.3037 5.3037 9.2026 9.2026 9.2475 9.2475 11.3361 11.3361 11.4114 11.4114 k = 0.3137 0.5434 0.3002 ( 3100 PWs) bands (ev): -7.9300 -7.9300 -7.8811 -7.8811 -7.8405 -7.8405 -7.8142 -7.8142 -7.1437 -7.1437 -7.0732 -7.0732 -6.9922 -6.9922 -6.9740 -6.9740 -6.9691 -6.9691 -6.9430 -6.9430 -2.4695 -2.4695 -2.4689 -2.4689 1.2070 1.2070 1.2227 1.2227 3.6083 3.6083 3.7059 3.7059 5.2696 5.2696 5.2997 5.2997 9.2029 9.2029 9.2478 9.2478 11.3445 11.3445 11.4191 11.4191 k = 0.3072 0.5321 0.3002 ( 3092 PWs) bands (ev): -7.9298 -7.9298 -7.8811 -7.8811 -7.8406 -7.8406 -7.8145 -7.8145 -7.1433 -7.1433 -7.0731 -7.0731 -6.9924 -6.9924 -6.9747 -6.9747 -6.9685 -6.9685 -6.9430 -6.9430 -2.4802 -2.4802 -2.4793 -2.4793 1.2159 1.2159 1.2312 1.2312 3.6314 3.6314 3.7289 3.7289 5.2623 5.2623 5.2938 5.2938 9.2040 9.2040 9.2491 9.2491 11.3552 11.3552 11.4286 11.4286 k = 0.3007 0.5207 0.3002 ( 3094 PWs) bands (ev): -7.9295 -7.9295 -7.8811 -7.8811 -7.8406 -7.8406 -7.8149 -7.8149 -7.1429 -7.1429 -7.0730 -7.0730 -6.9926 -6.9926 -6.9754 -6.9754 -6.9679 -6.9679 -6.9431 -6.9431 -2.4941 -2.4941 -2.4930 -2.4930 1.2283 1.2283 1.2433 1.2433 3.6603 3.6603 3.7578 3.7578 5.2529 5.2529 5.2862 5.2862 9.2066 9.2066 9.2518 9.2518 11.3671 11.3671 11.4389 11.4389 k = 0.2941 0.5094 0.3002 ( 3094 PWs) bands (ev): -7.9291 -7.9291 -7.8811 -7.8811 -7.8406 -7.8406 -7.8154 -7.8154 -7.1425 -7.1425 -7.0729 -7.0729 -6.9929 -6.9929 -6.9760 -6.9760 -6.9675 -6.9675 -6.9432 -6.9432 -2.5115 -2.5115 -2.5101 -2.5101 1.2447 1.2447 1.2593 1.2593 3.6947 3.6947 3.7921 3.7921 5.2414 5.2414 5.2766 5.2766 9.2109 9.2109 9.2564 9.2564 11.3790 11.3790 11.4487 11.4487 k = 0.2876 0.4981 0.3002 ( 3098 PWs) bands (ev): -7.9286 -7.9286 -7.8811 -7.8811 -7.8407 -7.8407 -7.8160 -7.8160 -7.1420 -7.1420 -7.0727 -7.0727 -6.9932 -6.9932 -6.9765 -6.9765 -6.9671 -6.9671 -6.9433 -6.9433 -2.5322 -2.5322 -2.5305 -2.5305 1.2653 1.2653 1.2796 1.2796 3.7343 3.7343 3.8316 3.8316 5.2279 5.2279 5.2653 5.2653 9.2172 9.2172 9.2631 9.2631 11.3895 11.3895 11.4564 11.4564 k = 0.2810 0.4868 0.3002 ( 3098 PWs) bands (ev): -7.9282 -7.9282 -7.8810 -7.8810 -7.8408 -7.8408 -7.8166 -7.8166 -7.1414 -7.1414 -7.0725 -7.0725 -6.9935 -6.9935 -6.9770 -6.9770 -6.9668 -6.9668 -6.9434 -6.9434 -2.5562 -2.5562 -2.5542 -2.5542 1.2905 1.2905 1.3043 1.3043 3.7785 3.7785 3.8758 3.8758 5.2124 5.2124 5.2521 5.2521 9.2258 9.2258 9.2721 9.2721 11.3971 11.3971 11.4605 11.4605 k = 0.2745 0.4755 0.3002 ( 3102 PWs) bands (ev): -7.9276 -7.9276 -7.8810 -7.8810 -7.8408 -7.8408 -7.8173 -7.8173 -7.1408 -7.1408 -7.0723 -7.0723 -6.9938 -6.9938 -6.9774 -6.9774 -6.9666 -6.9666 -6.9436 -6.9436 -2.5836 -2.5836 -2.5812 -2.5812 1.3203 1.3203 1.3338 1.3338 3.8272 3.8272 3.9245 3.9245 5.1952 5.1952 5.2372 5.2372 9.2369 9.2369 9.2838 9.2838 11.4005 11.4005 11.4597 11.4597 k = 0.2680 0.4641 0.3002 ( 3098 PWs) bands (ev): -7.9270 -7.9270 -7.8809 -7.8809 -7.8409 -7.8409 -7.8180 -7.8180 -7.1401 -7.1401 -7.0720 -7.0720 -6.9942 -6.9942 -6.9779 -6.9779 -6.9665 -6.9665 -6.9438 -6.9438 -2.6140 -2.6140 -2.6113 -2.6113 1.3549 1.3549 1.3681 1.3681 3.8799 3.8799 3.9773 3.9773 5.1762 5.1762 5.2208 5.2208 9.2506 9.2506 9.2981 9.2981 11.3985 11.3985 11.4527 11.4527 k = 0.2614 0.4528 0.3002 ( 3098 PWs) bands (ev): -7.9263 -7.9263 -7.8808 -7.8808 -7.8410 -7.8410 -7.8188 -7.8188 -7.1394 -7.1394 -7.0717 -7.0717 -6.9945 -6.9945 -6.9782 -6.9782 -6.9665 -6.9665 -6.9440 -6.9440 -2.6473 -2.6473 -2.6443 -2.6443 1.3943 1.3943 1.4072 1.4072 3.9363 3.9363 4.0338 4.0338 5.1558 5.1558 5.2029 5.2029 9.2669 9.2669 9.3150 9.3150 11.3902 11.3902 11.4391 11.4391 k = 0.2549 0.4415 0.3002 ( 3090 PWs) bands (ev): -7.9256 -7.9256 -7.8807 -7.8807 -7.8410 -7.8410 -7.8196 -7.8196 -7.1387 -7.1387 -7.0713 -7.0713 -6.9949 -6.9949 -6.9786 -6.9786 -6.9666 -6.9666 -6.9443 -6.9443 -2.6833 -2.6833 -2.6801 -2.6801 1.4383 1.4383 1.4511 1.4511 3.9962 3.9962 4.0937 4.0937 5.1341 5.1341 5.1838 5.1838 9.2858 9.2858 9.3347 9.3347 11.3756 11.3756 11.4190 11.4190 k = 0.2484 0.4302 0.3002 ( 3094 PWs) bands (ev): -7.9248 -7.9248 -7.8805 -7.8805 -7.8411 -7.8411 -7.8205 -7.8205 -7.1379 -7.1379 -7.0710 -7.0710 -6.9952 -6.9952 -6.9790 -6.9790 -6.9667 -6.9667 -6.9447 -6.9447 -2.7219 -2.7219 -2.7183 -2.7183 1.4870 1.4870 1.4998 1.4998 4.0591 4.0591 4.1567 4.1567 5.1114 5.1114 5.1638 5.1638 9.3072 9.3072 9.3568 9.3568 11.3551 11.3551 11.3929 11.3929 k = 0.2418 0.4189 0.3002 ( 3098 PWs) bands (ev): -7.9240 -7.9240 -7.8804 -7.8804 -7.8412 -7.8412 -7.8214 -7.8214 -7.1372 -7.1372 -7.0706 -7.0706 -6.9956 -6.9956 -6.9793 -6.9793 -6.9669 -6.9669 -6.9450 -6.9450 -2.7627 -2.7627 -2.7588 -2.7588 1.5401 1.5401 1.5530 1.5530 4.1248 4.1248 4.2224 4.2224 5.0880 5.0880 5.1431 5.1431 9.3310 9.3310 9.3814 9.3814 11.3296 11.3296 11.3619 11.3619 k = 0.2353 0.4075 0.3002 ( 3092 PWs) bands (ev): -7.9231 -7.9231 -7.8802 -7.8802 -7.8413 -7.8413 -7.8223 -7.8223 -7.1364 -7.1364 -7.0703 -7.0703 -6.9959 -6.9959 -6.9797 -6.9797 -6.9672 -6.9672 -6.9455 -6.9455 -2.8054 -2.8054 -2.8013 -2.8013 1.5975 1.5975 1.6106 1.6106 4.1930 4.1930 4.2907 4.2907 5.0642 5.0642 5.1220 5.1220 9.3570 9.3570 9.4081 9.4081 11.3000 11.3000 11.3269 11.3269 k = 0.2288 0.3962 0.3002 ( 3096 PWs) bands (ev): -7.9222 -7.9222 -7.8801 -7.8801 -7.8414 -7.8414 -7.8232 -7.8232 -7.1355 -7.1355 -7.0699 -7.0699 -6.9961 -6.9961 -6.9801 -6.9801 -6.9675 -6.9675 -6.9459 -6.9459 -2.8498 -2.8498 -2.8455 -2.8455 1.6589 1.6589 1.6723 1.6723 4.2634 4.2634 4.3609 4.3609 5.0403 5.0403 5.1010 5.1010 9.3850 9.3850 9.4368 9.4368 11.2671 11.2671 11.2889 11.2889 k = 0.2222 0.3849 0.3002 ( 3100 PWs) bands (ev): -7.9212 -7.9212 -7.8799 -7.8799 -7.8415 -7.8415 -7.8241 -7.8241 -7.1346 -7.1346 -7.0695 -7.0695 -6.9964 -6.9964 -6.9805 -6.9805 -6.9678 -6.9678 -6.9465 -6.9465 -2.8957 -2.8957 -2.8911 -2.8911 1.7240 1.7240 1.7378 1.7378 4.3356 4.3356 4.4329 4.4329 5.0169 5.0169 5.0804 5.0804 9.4147 9.4147 9.4670 9.4670 11.2316 11.2316 11.2490 11.2490 k = 0.2157 0.3736 0.3002 ( 3100 PWs) bands (ev): -7.9202 -7.9202 -7.8797 -7.8797 -7.8416 -7.8416 -7.8250 -7.8250 -7.1337 -7.1337 -7.0692 -7.0692 -6.9967 -6.9967 -6.9810 -6.9810 -6.9682 -6.9682 -6.9470 -6.9470 -2.9427 -2.9427 -2.9379 -2.9379 1.7925 1.7925 1.8068 1.8068 4.4092 4.4092 4.5061 4.5061 4.9942 4.9942 5.0608 5.0608 9.4458 9.4458 9.4987 9.4987 11.1937 11.1937 11.2081 11.2081 k = 0.2092 0.3623 0.3002 ( 3104 PWs) bands (ev): -7.9191 -7.9191 -7.8795 -7.8795 -7.8418 -7.8418 -7.8260 -7.8260 -7.1328 -7.1328 -7.0688 -7.0688 -6.9969 -6.9969 -6.9815 -6.9815 -6.9685 -6.9685 -6.9477 -6.9477 -2.9906 -2.9906 -2.9856 -2.9856 1.8640 1.8640 1.8788 1.8788 4.4837 4.4837 4.5798 4.5798 4.9732 4.9732 5.0429 5.0429 9.4780 9.4780 9.5312 9.5312 11.1530 11.1530 11.1673 11.1673 k = 0.2026 0.3509 0.3002 ( 3100 PWs) bands (ev): -7.9180 -7.9180 -7.8793 -7.8793 -7.8419 -7.8419 -7.8269 -7.8269 -7.1319 -7.1319 -7.0685 -7.0685 -6.9971 -6.9971 -6.9821 -6.9821 -6.9688 -6.9688 -6.9483 -6.9483 -3.0391 -3.0391 -3.0339 -3.0339 1.9382 1.9382 1.9536 1.9536 4.5584 4.5584 4.6531 4.6531 4.9546 4.9546 5.0276 5.0276 9.5110 9.5110 9.5644 9.5644 11.1095 11.1095 11.1274 11.1274 k = 0.1961 0.3396 0.3002 ( 3102 PWs) bands (ev): -7.9169 -7.9169 -7.8791 -7.8791 -7.8421 -7.8421 -7.8278 -7.8278 -7.1309 -7.1309 -7.0681 -7.0681 -6.9972 -6.9972 -6.9827 -6.9827 -6.9691 -6.9691 -6.9490 -6.9490 -3.0880 -3.0880 -3.0827 -3.0827 2.0146 2.0146 2.0306 2.0306 4.6324 4.6324 4.7240 4.7240 4.9404 4.9404 5.0166 5.0166 9.5445 9.5445 9.5979 9.5979 11.0636 11.0636 11.0879 11.0879 k = 0.1895 0.3283 0.3002 ( 3098 PWs) bands (ev): -7.9157 -7.9157 -7.8789 -7.8789 -7.8423 -7.8423 -7.8287 -7.8287 -7.1299 -7.1299 -7.0679 -7.0679 -6.9974 -6.9974 -6.9834 -6.9834 -6.9693 -6.9693 -6.9498 -6.9498 -3.1371 -3.1371 -3.1316 -3.1316 2.0927 2.0927 2.1094 2.1094 4.7033 4.7033 4.7878 4.7878 4.9345 4.9345 5.0130 5.0130 9.5780 9.5780 9.6311 9.6311 11.0160 11.0160 11.0484 11.0484 k = 0.1830 0.3170 0.3002 ( 3086 PWs) bands (ev): -7.9144 -7.9144 -7.8787 -7.8787 -7.8425 -7.8425 -7.8296 -7.8296 -7.1288 -7.1288 -7.0676 -7.0676 -6.9975 -6.9975 -6.9842 -6.9842 -6.9695 -6.9695 -6.9506 -6.9506 -3.1861 -3.1861 -3.1805 -3.1805 2.1721 2.1721 2.1894 2.1894 4.7660 4.7660 4.8350 4.8350 4.9456 4.9456 5.0233 5.0233 9.6112 9.6112 9.6639 9.6639 10.9669 10.9669 11.0088 11.0088 k = 0.1765 0.3057 0.3002 ( 3078 PWs) bands (ev): -7.9132 -7.9132 -7.8784 -7.8784 -7.8428 -7.8428 -7.8305 -7.8305 -7.1277 -7.1277 -7.0673 -7.0673 -6.9976 -6.9976 -6.9850 -6.9850 -6.9696 -6.9696 -6.9514 -6.9514 -3.2348 -3.2348 -3.2291 -3.2291 2.2521 2.2521 2.2702 2.2702 4.8093 4.8093 4.8628 4.8628 4.9787 4.9787 5.0571 5.0571 9.6436 9.6436 9.6956 9.6956 10.9166 10.9166 10.9689 10.9689 k = 0.1699 0.2943 0.3002 ( 3078 PWs) bands (ev): -7.9119 -7.9119 -7.8782 -7.8782 -7.8431 -7.8431 -7.8314 -7.8314 -7.1266 -7.1266 -7.0671 -7.0671 -6.9977 -6.9977 -6.9858 -6.9858 -6.9696 -6.9696 -6.9523 -6.9523 -3.2831 -3.2831 -3.2772 -3.2772 2.3323 2.3323 2.3510 2.3510 4.8271 4.8271 4.8833 4.8833 5.0292 5.0292 5.1134 5.1134 9.6748 9.6748 9.7260 9.7260 10.8653 10.8653 10.9288 10.9288 k = 0.1634 0.2830 0.3002 ( 3078 PWs) bands (ev): -7.9106 -7.9106 -7.8780 -7.8780 -7.8434 -7.8434 -7.8323 -7.8323 -7.1254 -7.1254 -7.0670 -7.0670 -6.9978 -6.9978 -6.9867 -6.9867 -6.9696 -6.9696 -6.9532 -6.9532 -3.3308 -3.3308 -3.3247 -3.3247 2.4118 2.4118 2.4313 2.4313 4.8332 4.8332 4.8980 4.8980 5.0930 5.0930 5.1814 5.1814 9.7041 9.7041 9.7544 9.7544 10.8137 10.8137 10.8887 10.8887 k = 0.1569 0.2717 0.3002 ( 3078 PWs) bands (ev): -7.9092 -7.9092 -7.8778 -7.8778 -7.8438 -7.8438 -7.8332 -7.8332 -7.1242 -7.1242 -7.0668 -7.0668 -6.9978 -6.9978 -6.9876 -6.9876 -6.9696 -6.9696 -6.9541 -6.9541 -3.3777 -3.3777 -3.3715 -3.3715 2.4901 2.4901 2.5104 2.5104 4.8386 4.8386 4.9104 4.9104 5.1638 5.1638 5.2540 5.2540 9.7308 9.7308 9.7803 9.7803 10.7623 10.7623 10.8492 10.8492 k = 0.1503 0.2604 0.3002 ( 3074 PWs) bands (ev): -7.9078 -7.9078 -7.8775 -7.8775 -7.8443 -7.8443 -7.8341 -7.8341 -7.1230 -7.1230 -7.0667 -7.0667 -6.9979 -6.9979 -6.9885 -6.9885 -6.9695 -6.9695 -6.9551 -6.9551 -3.4236 -3.4236 -3.4172 -3.4172 2.5665 2.5665 2.5876 2.5876 4.8472 4.8472 4.9243 4.9243 5.2375 5.2375 5.3279 5.3279 9.7540 9.7540 9.8030 9.8030 10.7122 10.7122 10.8110 10.8110 k = 0.1438 0.2491 0.3002 ( 3076 PWs) bands (ev): -7.9064 -7.9064 -7.8773 -7.8773 -7.8448 -7.8448 -7.8350 -7.8350 -7.1217 -7.1217 -7.0666 -7.0666 -6.9980 -6.9980 -6.9894 -6.9894 -6.9694 -6.9694 -6.9560 -6.9560 -3.4684 -3.4684 -3.4619 -3.4619 2.6402 2.6402 2.6621 2.6621 4.8607 4.8607 4.9421 4.9421 5.3120 5.3120 5.4018 5.4018 9.7725 9.7725 9.8213 9.8213 10.6646 10.6646 10.7750 10.7750 k = 0.1373 0.2377 0.3002 ( 3076 PWs) bands (ev): -7.9049 -7.9049 -7.8770 -7.8770 -7.8453 -7.8453 -7.8359 -7.8359 -7.1204 -7.1204 -7.0666 -7.0666 -6.9981 -6.9981 -6.9903 -6.9903 -6.9692 -6.9692 -6.9569 -6.9569 -3.5120 -3.5120 -3.5054 -3.5054 2.7105 2.7105 2.7332 2.7332 4.8803 4.8803 4.9653 4.9653 5.3862 5.3862 5.4748 5.4748 9.7850 9.7850 9.8340 9.8340 10.6215 10.6215 10.7426 10.7426 k = 0.1307 0.2264 0.3002 ( 3068 PWs) bands (ev): -7.9035 -7.9035 -7.8767 -7.8767 -7.8459 -7.8459 -7.8368 -7.8368 -7.1190 -7.1190 -7.0667 -7.0667 -6.9983 -6.9983 -6.9912 -6.9912 -6.9689 -6.9689 -6.9579 -6.9579 -3.5542 -3.5542 -3.5475 -3.5475 2.7769 2.7769 2.8002 2.8002 4.9069 4.9069 4.9948 4.9948 5.4594 5.4594 5.5464 5.5464 9.7899 9.7899 9.8392 9.8392 10.5850 10.5850 10.7154 10.7154 k = 0.1242 0.2151 0.3002 ( 3072 PWs) bands (ev): -7.9019 -7.9019 -7.8764 -7.8764 -7.8466 -7.8466 -7.8378 -7.8378 -7.1176 -7.1176 -7.0667 -7.0667 -6.9985 -6.9985 -6.9920 -6.9920 -6.9687 -6.9687 -6.9587 -6.9587 -3.5950 -3.5950 -3.5882 -3.5882 2.8388 2.8388 2.8625 2.8625 4.9410 4.9410 5.0313 5.0313 5.5310 5.5310 5.6160 5.6160 9.7856 9.7856 9.8347 9.8347 10.5576 10.5576 10.6948 10.6948 k = 0.1176 0.2038 0.3002 ( 3064 PWs) bands (ev): -7.9004 -7.9004 -7.8761 -7.8761 -7.8473 -7.8473 -7.8388 -7.8388 -7.1161 -7.1161 -7.0669 -7.0669 -6.9988 -6.9988 -6.9928 -6.9928 -6.9684 -6.9684 -6.9596 -6.9596 -3.6341 -3.6341 -3.6274 -3.6274 2.8956 2.8956 2.9197 2.9197 4.9831 4.9831 5.0752 5.0752 5.6006 5.6006 5.6834 5.6834 9.7707 9.7707 9.8186 9.8186 10.5416 10.5416 10.6826 10.6826 k = 0.1111 0.1925 0.3002 ( 3064 PWs) bands (ev): -7.8988 -7.8988 -7.8757 -7.8757 -7.8480 -7.8480 -7.8398 -7.8398 -7.1146 -7.1146 -7.0670 -7.0670 -6.9991 -6.9991 -6.9935 -6.9935 -6.9681 -6.9681 -6.9604 -6.9604 -3.6717 -3.6717 -3.6649 -3.6649 2.9472 2.9472 2.9713 2.9713 5.0332 5.0332 5.1266 5.1266 5.6680 5.6680 5.7482 5.7482 9.7444 9.7444 9.7896 9.7896 10.5384 10.5384 10.6796 10.6796 k = 0.1046 0.1811 0.3002 ( 3068 PWs) bands (ev): -7.8973 -7.8973 -7.8754 -7.8754 -7.8487 -7.8487 -7.8409 -7.8409 -7.1130 -7.1130 -7.0673 -7.0673 -6.9994 -6.9994 -6.9942 -6.9942 -6.9678 -6.9678 -6.9612 -6.9612 -3.7074 -3.7074 -3.7007 -3.7007 2.9933 2.9933 3.0171 3.0171 5.0914 5.0914 5.1855 5.1855 5.7328 5.7328 5.8100 5.8100 9.7064 9.7064 9.7476 9.7476 10.5481 10.5481 10.6865 10.6865 k = 0.0980 0.1698 0.3002 ( 3060 PWs) bands (ev): -7.8956 -7.8956 -7.8750 -7.8750 -7.8495 -7.8495 -7.8420 -7.8420 -7.1113 -7.1113 -7.0676 -7.0676 -6.9998 -6.9998 -6.9948 -6.9948 -6.9675 -6.9675 -6.9619 -6.9619 -3.7413 -3.7413 -3.7347 -3.7347 3.0340 3.0340 3.0573 3.0573 5.1573 5.1573 5.2515 5.2515 5.7948 5.7948 5.8688 5.8688 9.6570 9.6570 9.6939 9.6939 10.5699 10.5699 10.7031 10.7031 k = 0.0915 0.1585 0.3002 ( 3060 PWs) bands (ev): -7.8940 -7.8940 -7.8746 -7.8746 -7.8503 -7.8503 -7.8432 -7.8432 -7.1097 -7.1097 -7.0680 -7.0680 -7.0003 -7.0003 -6.9954 -6.9954 -6.9672 -6.9672 -6.9625 -6.9625 -3.7734 -3.7734 -3.7669 -3.7669 3.0695 3.0695 3.0919 3.0919 5.2305 5.2305 5.3242 5.3242 5.8537 5.8537 5.9242 5.9242 9.5971 9.5971 9.6301 9.6301 10.6020 10.6020 10.7287 10.7287 k = 0.0850 0.1472 0.3002 ( 3064 PWs) bands (ev): -7.8924 -7.8924 -7.8741 -7.8741 -7.8511 -7.8511 -7.8445 -7.8445 -7.1079 -7.1079 -7.0684 -7.0684 -7.0007 -7.0007 -6.9960 -6.9960 -6.9669 -6.9669 -6.9630 -6.9630 -3.8034 -3.8034 -3.7971 -3.7971 3.1000 3.1000 3.1214 3.1214 5.3101 5.3101 5.4027 5.4027 5.9093 5.9093 5.9761 5.9761 9.5280 9.5280 9.5579 9.5579 10.6427 10.6427 10.7623 10.7623 k = 0.0784 0.1358 0.3002 ( 3056 PWs) bands (ev): -7.8907 -7.8907 -7.8736 -7.8736 -7.8520 -7.8520 -7.8458 -7.8458 -7.1061 -7.1061 -7.0690 -7.0690 -7.0012 -7.0012 -6.9966 -6.9966 -6.9666 -6.9666 -6.9635 -6.9635 -3.8314 -3.8314 -3.8254 -3.8254 3.1259 3.1259 3.1460 3.1460 5.3953 5.3953 5.4862 5.4862 5.9616 5.9616 6.0243 6.0243 9.4510 9.4510 9.4792 9.4792 10.6907 10.6907 10.8030 10.8030 k = 0.0719 0.1245 0.3002 ( 3056 PWs) bands (ev): -7.8890 -7.8890 -7.8731 -7.8731 -7.8528 -7.8528 -7.8472 -7.8472 -7.1043 -7.1043 -7.0696 -7.0696 -7.0016 -7.0016 -6.9972 -6.9972 -6.9663 -6.9663 -6.9639 -6.9639 -3.8573 -3.8573 -3.8516 -3.8516 3.1478 3.1478 3.1664 3.1664 5.4848 5.4848 5.5735 5.5735 6.0103 6.0103 6.0687 6.0687 9.3678 9.3678 9.3954 9.3954 10.7443 10.7443 10.8493 10.8493 k = 0.0654 0.1132 0.3002 ( 3052 PWs) bands (ev): -7.8873 -7.8873 -7.8726 -7.8726 -7.8537 -7.8537 -7.8487 -7.8487 -7.1024 -7.1024 -7.0703 -7.0703 -7.0020 -7.0020 -6.9978 -6.9978 -6.9661 -6.9661 -6.9642 -6.9642 -3.8811 -3.8811 -3.8757 -3.8757 3.1659 3.1659 3.1830 3.1830 5.5774 5.5774 5.6633 5.6633 6.0555 6.0555 6.1094 6.1094 9.2802 9.2802 9.3078 9.3078 10.8024 10.8024 10.9004 10.9004 k = 0.0588 0.1019 0.3002 ( 3048 PWs) bands (ev): -7.8855 -7.8855 -7.8721 -7.8721 -7.8545 -7.8545 -7.8501 -7.8501 -7.1005 -7.1005 -7.0712 -7.0712 -7.0023 -7.0023 -6.9983 -6.9983 -6.9658 -6.9658 -6.9644 -6.9644 -3.9027 -3.9027 -3.8977 -3.8977 3.1809 3.1809 3.1963 3.1963 5.6716 5.6716 5.7542 5.7542 6.0970 6.0970 6.1461 6.1461 9.1901 9.1901 9.2179 9.2179 10.8637 10.8637 10.9549 10.9549 k = 0.0523 0.0906 0.3002 ( 3040 PWs) bands (ev): -7.8838 -7.8838 -7.8716 -7.8716 -7.8554 -7.8554 -7.8516 -7.8516 -7.0986 -7.0986 -7.0721 -7.0721 -7.0026 -7.0026 -6.9989 -6.9989 -6.9656 -6.9656 -6.9646 -6.9646 -3.9221 -3.9221 -3.9175 -3.9175 3.1931 3.1931 3.2068 3.2068 5.7658 5.7658 5.8442 5.8442 6.1348 6.1348 6.1790 6.1790 9.0993 9.0993 9.1273 9.1273 10.9270 10.9270 11.0115 11.0115 k = 0.0458 0.0792 0.3002 ( 3040 PWs) bands (ev): -7.8820 -7.8820 -7.8710 -7.8710 -7.8562 -7.8562 -7.8531 -7.8531 -7.0967 -7.0967 -7.0732 -7.0732 -7.0029 -7.0029 -6.9995 -6.9995 -6.9654 -6.9654 -6.9647 -6.9647 -3.9393 -3.9393 -3.9351 -3.9351 3.2031 3.2031 3.2150 3.2150 5.8580 5.8580 5.9314 5.9314 6.1692 6.1692 6.2081 6.2081 9.0101 9.0101 9.0377 9.0377 10.9906 10.9906 11.0683 11.0683 k = 0.0392 0.0679 0.3002 ( 3036 PWs) bands (ev): -7.8803 -7.8803 -7.8705 -7.8705 -7.8570 -7.8570 -7.8547 -7.8547 -7.0947 -7.0947 -7.0743 -7.0743 -7.0031 -7.0031 -7.0001 -7.0001 -6.9652 -6.9652 -6.9648 -6.9648 -3.9541 -3.9541 -3.9505 -3.9505 3.2110 3.2110 3.2213 3.2213 5.9459 5.9459 6.0134 6.0134 6.2003 6.2003 6.2337 6.2337 8.9247 8.9247 8.9513 8.9513 11.0529 11.0529 11.1231 11.1231 k = 0.0327 0.0566 0.3002 ( 3040 PWs) bands (ev): -7.8786 -7.8786 -7.8701 -7.8701 -7.8578 -7.8578 -7.8561 -7.8561 -7.0927 -7.0927 -7.0756 -7.0756 -7.0032 -7.0032 -7.0006 -7.0006 -6.9651 -6.9651 -6.9649 -6.9649 -3.9667 -3.9667 -3.9636 -3.9636 3.2174 3.2174 3.2259 3.2259 6.0270 6.0270 6.0870 6.0870 6.2288 6.2288 6.2562 6.2562 8.8457 8.8457 8.8705 8.8705 11.1112 11.1112 11.1727 11.1727 k = 0.0261 0.0453 0.3002 ( 3038 PWs) bands (ev): -7.8769 -7.8769 -7.8698 -7.8698 -7.8586 -7.8586 -7.8575 -7.8575 -7.0908 -7.0908 -7.0769 -7.0769 -7.0032 -7.0032 -7.0011 -7.0011 -6.9650 -6.9650 -6.9649 -6.9649 -3.9769 -3.9769 -3.9744 -3.9744 3.2223 3.2223 3.2291 3.2291 6.0981 6.0981 6.1484 6.1484 6.2557 6.2557 6.2761 6.2761 8.7760 8.7760 8.7979 8.7979 11.1623 11.1623 11.2129 11.2129 k = 0.0196 0.0340 0.3002 ( 3042 PWs) bands (ev): -7.8752 -7.8752 -7.8696 -7.8696 -7.8592 -7.8592 -7.8587 -7.8587 -7.0889 -7.0889 -7.0784 -7.0784 -7.0032 -7.0032 -7.0016 -7.0016 -6.9649 -6.9649 -6.9649 -6.9649 -3.9848 -3.9848 -3.9829 -3.9829 3.2262 3.2262 3.2312 3.2312 6.1559 6.1559 6.1935 6.1935 6.2822 6.2822 6.2944 6.2944 8.7185 8.7185 8.7363 8.7363 11.2027 11.2027 11.2402 11.2402 k = 0.0131 0.0226 0.3002 ( 3038 PWs) bands (ev): -7.8737 -7.8737 -7.8698 -7.8698 -7.8598 -7.8598 -7.8596 -7.8596 -7.0870 -7.0870 -7.0800 -7.0800 -7.0031 -7.0031 -7.0020 -7.0020 -6.9649 -6.9649 -6.9648 -6.9648 -3.9904 -3.9904 -3.9891 -3.9891 3.2290 3.2290 3.2324 3.2324 6.1975 6.1975 6.2211 6.2211 6.3066 6.3066 6.3112 6.3112 8.6759 8.6759 8.6886 8.6886 11.2305 11.2305 11.2542 11.2542 k = 0.0065 0.0113 0.3002 ( 3038 PWs) bands (ev): -7.8723 -7.8723 -7.8703 -7.8703 -7.8602 -7.8602 -7.8601 -7.8601 -7.0851 -7.0851 -7.0816 -7.0816 -7.0029 -7.0029 -7.0024 -7.0024 -6.9648 -6.9648 -6.9648 -6.9648 -3.9936 -3.9936 -3.9930 -3.9930 3.2310 3.2310 3.2327 3.2327 6.2228 6.2228 6.2337 6.2337 6.3239 6.3239 6.3245 6.3245 8.6508 8.6508 8.6573 8.6573 11.2469 11.2469 11.2583 11.2583 k = 0.0000 0.0000 0.3002 ( 3038 PWs) bands (ev): -7.8711 -7.8711 -7.8711 -7.8711 -7.8603 -7.8603 -7.8603 -7.8603 -7.0833 -7.0833 -7.0833 -7.0833 -7.0027 -7.0027 -7.0027 -7.0027 -6.9648 -6.9648 -6.9648 -6.9648 -3.9945 -3.9945 -3.9945 -3.9945 3.2322 3.2322 3.2322 3.2322 6.2341 6.2341 6.2341 6.2341 6.3299 6.3299 6.3299 6.3299 8.6444 8.6444 8.6444 8.6444 11.2555 11.2555 11.2555 11.2555 k = 0.5000 0.2887 0.3002 ( 3092 PWs) bands (ev): -7.9042 -7.9042 -7.9042 -7.9042 -7.8333 -7.8333 -7.8333 -7.8333 -7.1013 -7.1013 -7.1013 -7.1013 -6.9948 -6.9948 -6.9948 -6.9948 -6.9457 -6.9457 -6.9457 -6.9457 -2.6833 -2.6833 -2.6833 -2.6833 1.1717 1.1717 1.1717 1.1717 4.9251 4.9251 4.9251 4.9251 5.1220 5.1220 5.1220 5.1220 8.5053 8.5053 8.5053 8.5053 10.1177 10.1177 10.1177 10.1177 k = 0.5000 0.2887 0.2872 ( 3098 PWs) bands (ev): -7.9060 -7.9060 -7.9025 -7.9025 -7.8343 -7.8343 -7.8323 -7.8323 -7.1045 -7.1045 -7.0981 -7.0981 -6.9958 -6.9958 -6.9938 -6.9938 -6.9467 -6.9467 -6.9448 -6.9448 -2.7065 -2.7065 -2.6599 -2.6599 1.1439 1.1439 1.2020 1.2020 4.8484 4.8484 4.9922 4.9922 5.0823 5.0823 5.1655 5.1655 8.4489 8.4489 8.5643 8.5643 10.1001 10.1001 10.1460 10.1460 k = 0.5000 0.2887 0.2741 ( 3102 PWs) bands (ev): -7.9077 -7.9077 -7.9007 -7.9007 -7.8353 -7.8353 -7.8314 -7.8314 -7.1076 -7.1076 -7.0949 -7.0949 -6.9968 -6.9968 -6.9928 -6.9928 -6.9478 -6.9478 -6.9439 -6.9439 -2.7295 -2.7295 -2.6365 -2.6365 1.1189 1.1189 1.2348 1.2348 4.7653 4.7653 5.0200 5.0200 5.0753 5.0753 5.2101 5.2101 8.3979 8.3979 8.6227 8.6227 10.0955 10.0955 10.1832 10.1832 k = 0.5000 0.2887 0.2610 ( 3090 PWs) bands (ev): -7.9094 -7.9094 -7.8989 -7.8989 -7.8364 -7.8364 -7.8304 -7.8304 -7.1107 -7.1107 -7.0918 -7.0918 -6.9978 -6.9978 -6.9918 -6.9918 -6.9489 -6.9489 -6.9430 -6.9430 -2.7521 -2.7521 -2.6132 -2.6132 1.0965 1.0965 1.2698 1.2698 4.6775 4.6775 4.9882 4.9882 5.1207 5.1207 5.2548 5.2548 8.3550 8.3550 8.6774 8.6774 10.1061 10.1061 10.2275 10.2275 k = 0.5000 0.2887 0.2480 ( 3090 PWs) bands (ev): -7.9111 -7.9111 -7.8971 -7.8971 -7.8374 -7.8374 -7.8295 -7.8295 -7.1137 -7.1137 -7.0886 -7.0886 -6.9988 -6.9988 -6.9908 -6.9908 -6.9500 -6.9500 -6.9422 -6.9422 -2.7742 -2.7742 -2.5902 -2.5902 1.0770 1.0770 1.3069 1.3069 4.5863 4.5863 4.9505 4.9505 5.1643 5.1643 5.2988 5.2988 8.3223 8.3223 8.7256 8.7256 10.1337 10.1337 10.2770 10.2770 k = 0.5000 0.2887 0.2349 ( 3092 PWs) bands (ev): -7.9127 -7.9127 -7.8954 -7.8954 -7.8384 -7.8384 -7.8285 -7.8285 -7.1167 -7.1167 -7.0854 -7.0854 -6.9998 -6.9998 -6.9897 -6.9897 -6.9511 -6.9511 -6.9414 -6.9414 -2.7958 -2.7958 -2.5674 -2.5674 1.0604 1.0604 1.3459 1.3459 4.4929 4.4929 4.9133 4.9133 5.1991 5.1991 5.3414 5.3414 8.3015 8.3015 8.7653 8.7653 10.1796 10.1796 10.3303 10.3303 k = 0.5000 0.2887 0.2219 ( 3090 PWs) bands (ev): -7.9143 -7.9143 -7.8936 -7.8936 -7.8395 -7.8395 -7.8277 -7.8277 -7.1196 -7.1196 -7.0823 -7.0823 -7.0008 -7.0008 -6.9887 -6.9887 -6.9522 -6.9522 -6.9407 -6.9407 -2.8167 -2.8167 -2.5452 -2.5452 1.0467 1.0467 1.3865 1.3865 4.3982 4.3982 4.8773 4.8773 5.2237 5.2237 5.3830 5.3830 8.2939 8.2939 8.7952 8.7952 10.2440 10.2440 10.3858 10.3858 k = 0.5000 0.2887 0.2088 ( 3090 PWs) bands (ev): -7.9158 -7.9158 -7.8919 -7.8919 -7.8405 -7.8405 -7.8268 -7.8268 -7.1223 -7.1223 -7.0793 -7.0793 -7.0018 -7.0018 -6.9877 -6.9877 -6.9533 -6.9533 -6.9401 -6.9401 -2.8368 -2.8368 -2.5235 -2.5235 1.0358 1.0358 1.4284 1.4284 4.3032 4.3032 4.8428 4.8428 5.2372 5.2372 5.4237 5.4237 8.2999 8.2999 8.8156 8.8156 10.3262 10.3262 10.4420 10.4420 k = 0.5000 0.2887 0.1958 ( 3088 PWs) bands (ev): -7.9173 -7.9173 -7.8902 -7.8902 -7.8415 -7.8415 -7.8260 -7.8260 -7.1250 -7.1250 -7.0763 -7.0763 -7.0028 -7.0028 -6.9867 -6.9867 -6.9545 -6.9545 -6.9396 -6.9396 -2.8561 -2.8561 -2.5026 -2.5026 1.0277 1.0277 1.4714 1.4714 4.2087 4.2087 4.8099 4.8099 5.2394 5.2394 5.4638 5.4638 8.3198 8.3198 8.8272 8.8272 10.4243 10.4243 10.4971 10.4971 k = 0.5000 0.2887 0.1827 ( 3092 PWs) bands (ev): -7.9187 -7.9187 -7.8885 -7.8885 -7.8425 -7.8425 -7.8252 -7.8252 -7.1276 -7.1276 -7.0734 -7.0734 -7.0037 -7.0037 -6.9856 -6.9856 -6.9556 -6.9556 -6.9391 -6.9391 -2.8746 -2.8746 -2.4824 -2.4824 1.0222 1.0222 1.5152 1.5152 4.1156 4.1156 4.7788 4.7788 5.2310 5.2310 5.5034 5.5034 8.3528 8.3528 8.8316 8.8316 10.5353 10.5353 10.5503 10.5503 k = 0.5000 0.2887 0.1697 ( 3092 PWs) bands (ev): -7.9200 -7.9200 -7.8869 -7.8869 -7.8436 -7.8436 -7.8245 -7.8245 -7.1300 -7.1300 -7.0706 -7.0706 -7.0047 -7.0047 -6.9846 -6.9846 -6.9567 -6.9567 -6.9386 -6.9386 -2.8920 -2.8920 -2.4632 -2.4632 1.0193 1.0193 1.5593 1.5593 4.0246 4.0246 4.7495 4.7495 5.2130 5.2130 5.5422 5.5422 8.3981 8.3981 8.8303 8.8303 10.5952 10.5952 10.6608 10.6608 k = 0.5000 0.2887 0.1566 ( 3082 PWs) bands (ev): -7.9213 -7.9213 -7.8853 -7.8853 -7.8445 -7.8445 -7.8238 -7.8238 -7.1323 -7.1323 -7.0680 -7.0680 -7.0056 -7.0056 -6.9836 -6.9836 -6.9578 -6.9578 -6.9383 -6.9383 -2.9084 -2.9084 -2.4450 -2.4450 1.0188 1.0188 1.6035 1.6035 3.9365 3.9365 4.7221 4.7221 5.1870 5.1870 5.5799 5.5799 8.4543 8.4543 8.8249 8.8249 10.6344 10.6344 10.7937 10.7937 k = 0.5000 0.2887 0.1436 ( 3078 PWs) bands (ev): -7.9225 -7.9225 -7.8837 -7.8837 -7.8455 -7.8455 -7.8231 -7.8231 -7.1344 -7.1344 -7.0654 -7.0654 -7.0065 -7.0065 -6.9826 -6.9826 -6.9588 -6.9588 -6.9380 -6.9380 -2.9236 -2.9236 -2.4280 -2.4280 1.0204 1.0204 1.6471 1.6471 3.8518 3.8518 4.6966 4.6966 5.1548 5.1548 5.6162 5.6162 8.5198 8.5198 8.8169 8.8169 10.6634 10.6634 10.9337 10.9337 k = 0.5000 0.2887 0.1305 ( 3078 PWs) bands (ev): -7.9236 -7.9236 -7.8822 -7.8822 -7.8465 -7.8465 -7.8225 -7.8225 -7.1364 -7.1364 -7.0630 -7.0630 -7.0074 -7.0074 -6.9816 -6.9816 -6.9599 -6.9599 -6.9377 -6.9377 -2.9378 -2.9378 -2.4121 -2.4121 1.0239 1.0239 1.6898 1.6898 3.7713 3.7713 4.6731 4.6731 5.1181 5.1181 5.6506 5.6506 8.5927 8.5927 8.8074 8.8074 10.6800 10.6800 11.0786 11.0786 k = 0.5000 0.2887 0.1175 ( 3084 PWs) bands (ev): -7.9246 -7.9246 -7.8808 -7.8808 -7.8474 -7.8474 -7.8219 -7.8219 -7.1382 -7.1382 -7.0607 -7.0607 -7.0082 -7.0082 -6.9806 -6.9806 -6.9609 -6.9609 -6.9375 -6.9375 -2.9507 -2.9507 -2.3976 -2.3976 1.0289 1.0289 1.7310 1.7310 3.6957 3.6957 4.6516 4.6516 5.0787 5.0787 5.6830 5.6830 8.6704 8.6704 8.7984 8.7984 10.6826 10.6826 11.2264 11.2264 k = 0.5000 0.2887 0.1044 ( 3084 PWs) bands (ev): -7.9255 -7.9255 -7.8795 -7.8795 -7.8483 -7.8483 -7.8214 -7.8214 -7.1399 -7.1399 -7.0586 -7.0586 -7.0090 -7.0090 -6.9796 -6.9796 -6.9619 -6.9619 -6.9373 -6.9373 -2.9623 -2.9623 -2.3844 -2.3844 1.0350 1.0350 1.7702 1.7702 3.6256 3.6256 4.6323 4.6323 5.0384 5.0384 5.7128 5.7128 8.7436 8.7436 8.7978 8.7978 10.6707 10.6707 11.3746 11.3746 k = 0.5000 0.2887 0.0914 ( 3088 PWs) bands (ev): -7.9263 -7.9263 -7.8782 -7.8782 -7.8492 -7.8492 -7.8210 -7.8210 -7.1414 -7.1414 -7.0567 -7.0567 -7.0098 -7.0098 -6.9787 -6.9787 -6.9628 -6.9628 -6.9372 -6.9372 -2.9727 -2.9727 -2.3726 -2.3726 1.0419 1.0419 1.8068 1.8068 3.5617 3.5617 4.6151 4.6151 4.9987 4.9987 5.7400 5.7400 8.7639 8.7639 8.8526 8.8526 10.6451 10.6451 11.5189 11.5189 k = 0.5000 0.2887 0.0783 ( 3092 PWs) bands (ev): -7.9270 -7.9270 -7.8771 -7.8771 -7.8500 -7.8500 -7.8206 -7.8206 -7.1426 -7.1426 -7.0550 -7.0550 -7.0105 -7.0105 -6.9778 -6.9778 -6.9637 -6.9637 -6.9371 -6.9371 -2.9818 -2.9818 -2.3623 -2.3623 1.0492 1.0492 1.8402 1.8402 3.5047 3.5047 4.6000 4.6000 4.9610 4.9610 5.7642 5.7642 8.7577 8.7577 8.9347 8.9347 10.6079 10.6079 11.6241 11.6241 k = 0.5000 0.2887 0.0653 ( 3094 PWs) bands (ev): -7.9276 -7.9276 -7.8760 -7.8760 -7.8507 -7.8507 -7.8203 -7.8203 -7.1437 -7.1437 -7.0535 -7.0535 -7.0111 -7.0111 -6.9769 -6.9769 -6.9646 -6.9646 -6.9371 -6.9371 -2.9895 -2.9895 -2.3535 -2.3535 1.0563 1.0563 1.8697 1.8697 3.4552 3.4552 4.5872 4.5872 4.9267 4.9267 5.7851 5.7851 8.7499 8.7499 9.0169 9.0169 10.5627 10.5627 11.6034 11.6034 k = 0.5000 0.2887 0.0522 ( 3090 PWs) bands (ev): -7.9281 -7.9281 -7.8751 -7.8751 -7.8514 -7.8514 -7.8200 -7.8200 -7.1447 -7.1447 -7.0523 -7.0523 -7.0116 -7.0116 -6.9761 -6.9761 -6.9654 -6.9654 -6.9370 -6.9370 -2.9958 -2.9958 -2.3463 -2.3463 1.0628 1.0628 1.8949 1.8949 3.4137 3.4137 4.5767 4.5767 4.8970 4.8970 5.8025 5.8025 8.7428 8.7428 9.0940 9.0940 10.5137 10.5137 11.5705 11.5705 k = 0.5000 0.2887 0.0392 ( 3092 PWs) bands (ev): -7.9285 -7.9285 -7.8744 -7.8744 -7.8519 -7.8519 -7.8198 -7.8198 -7.1454 -7.1454 -7.0513 -7.0513 -7.0121 -7.0121 -6.9754 -6.9754 -6.9660 -6.9660 -6.9370 -6.9370 -3.0008 -3.0008 -2.3406 -2.3406 1.0684 1.0684 1.9151 1.9151 3.3808 3.3808 4.5684 4.5684 4.8729 4.8729 5.8163 5.8163 8.7369 8.7369 9.1618 9.1618 10.4663 10.4663 11.5434 11.5434 k = 0.5000 0.2887 0.0261 ( 3096 PWs) bands (ev): -7.9288 -7.9288 -7.8739 -7.8739 -7.8523 -7.8523 -7.8196 -7.8196 -7.1459 -7.1459 -7.0506 -7.0506 -7.0124 -7.0124 -6.9749 -6.9749 -6.9666 -6.9666 -6.9370 -6.9370 -3.0043 -3.0043 -2.3366 -2.3366 1.0727 1.0727 1.9299 1.9299 3.3570 3.3570 4.5625 4.5625 4.8550 4.8550 5.8262 5.8262 8.7326 8.7326 9.2157 9.2157 10.4261 10.4261 11.5238 11.5238 k = 0.5000 0.2887 0.0131 ( 3088 PWs) bands (ev): -7.9290 -7.9290 -7.8736 -7.8736 -7.8525 -7.8525 -7.8195 -7.8195 -7.1462 -7.1462 -7.0501 -7.0501 -7.0126 -7.0126 -6.9745 -6.9745 -6.9669 -6.9669 -6.9370 -6.9370 -3.0064 -3.0064 -2.3341 -2.3341 1.0754 1.0754 1.9389 1.9389 3.3426 3.3426 4.5589 4.5589 4.8441 4.8441 5.8322 5.8322 8.7300 8.7300 9.2508 9.2508 10.3989 10.3989 11.5119 11.5119 k = 0.5000 0.2887-0.0000 ( 3082 PWs) bands (ev): -7.9290 -7.9290 -7.8734 -7.8734 -7.8526 -7.8526 -7.8195 -7.8195 -7.1463 -7.1463 -7.0500 -7.0500 -7.0127 -7.0127 -6.9743 -6.9743 -6.9671 -6.9671 -6.9370 -6.9370 -3.0071 -3.0071 -2.3333 -2.3333 1.0763 1.0763 1.9419 1.9419 3.3377 3.3377 4.5577 4.5577 4.8404 4.8404 5.8342 5.8342 8.7291 8.7291 9.2630 9.2630 10.3893 10.3893 11.5080 11.5080 k = 0.3333 0.5774-0.0000 ( 3096 PWs) bands (ev): -7.9285 -7.9285 -7.9257 -7.8442 -7.8442 -7.8257 -7.8156 -7.8156 -7.2265 -7.0818 -7.0496 -7.0496 -7.0114 -7.0114 -6.9764 -6.9703 -6.9703 -6.9612 -6.9453 -6.9453 -2.4895 -2.4873 -2.4873 -2.4848 1.5822 1.5839 1.5951 1.5951 3.0001 3.0001 4.1812 4.2748 4.2748 4.3154 4.5277 4.5277 9.3416 9.3416 10.9463 10.9837 10.9850 10.9850 13.0191 13.0335 k = 0.3333 0.5774 0.0131 ( 3102 PWs) bands (ev): -7.9285 -7.9285 -7.9256 -7.8442 -7.8442 -7.8259 -7.8156 -7.8156 -7.2263 -7.0819 -7.0498 -7.0498 -7.0112 -7.0112 -6.9764 -6.9703 -6.9703 -6.9613 -6.9453 -6.9453 -2.4893 -2.4872 -2.4872 -2.4847 1.5800 1.5817 1.5929 1.5929 3.0014 3.0014 4.1859 4.2790 4.2790 4.3198 4.5253 4.5253 9.3466 9.3466 10.9378 10.9740 10.9762 10.9762 12.9512 13.0138 k = 0.3333 0.5774 0.0261 ( 3102 PWs) bands (ev): -7.9285 -7.9285 -7.9253 -7.8441 -7.8441 -7.8263 -7.8156 -7.8156 -7.2257 -7.0822 -7.0503 -7.0503 -7.0108 -7.0108 -6.9764 -6.9703 -6.9703 -6.9613 -6.9453 -6.9453 -2.4889 -2.4868 -2.4868 -2.4843 1.5733 1.5753 1.5865 1.5865 3.0052 3.0052 4.1997 4.2914 4.2914 4.3330 4.5183 4.5183 9.3613 9.3613 10.9125 10.9451 10.9500 10.9500 12.8566 12.9642 k = 0.3333 0.5774 0.0392 ( 3096 PWs) bands (ev): -7.9286 -7.9286 -7.9248 -7.8441 -7.8441 -7.8270 -7.8155 -7.8155 -7.2246 -7.0828 -7.0511 -7.0511 -7.0100 -7.0100 -6.9764 -6.9704 -6.9703 -6.9615 -6.9452 -6.9452 -2.4882 -2.4861 -2.4861 -2.4836 1.5625 1.5648 1.5760 1.5760 3.0117 3.0117 4.2226 4.3114 4.3114 4.3546 4.5071 4.5071 9.3858 9.3858 10.8710 10.8978 10.9070 10.9070 12.7696 12.8944 k = 0.3333 0.5774 0.0522 ( 3105 PWs) bands (ev): -7.9286 -7.9286 -7.9242 -7.8439 -7.8439 -7.8281 -7.8155 -7.8155 -7.2231 -7.0837 -7.0522 -7.0522 -7.0091 -7.0091 -6.9764 -6.9704 -6.9704 -6.9616 -6.9452 -6.9452 -2.4872 -2.4851 -2.4851 -2.4827 1.5479 1.5507 1.5618 1.5618 3.0206 3.0206 4.2539 4.3375 4.3375 4.3842 4.4930 4.4930 9.4197 9.4197 10.8140 10.8334 10.8481 10.8481 12.6937 12.8221 k = 0.3333 0.5774 0.0653 ( 3096 PWs) bands (ev): -7.9287 -7.9287 -7.9233 -7.8438 -7.8438 -7.8293 -7.8154 -7.8154 -7.2212 -7.0847 -7.0534 -7.0534 -7.0080 -7.0080 -6.9765 -6.9704 -6.9704 -6.9619 -6.9451 -6.9451 -2.4859 -2.4839 -2.4839 -2.4816 1.5299 1.5332 1.5443 1.5443 3.0321 3.0321 4.2931 4.3654 4.3654 4.4213 4.4799 4.4799 9.4630 9.4630 10.7430 10.7538 10.7748 10.7748 12.6295 12.7565 k = 0.3333 0.5774 0.0783 ( 3093 PWs) bands (ev): -7.9288 -7.9288 -7.9223 -7.8436 -7.8436 -7.8309 -7.8153 -7.8153 -7.2189 -7.0860 -7.0548 -7.0548 -7.0067 -7.0067 -6.9765 -6.9705 -6.9705 -6.9622 -6.9450 -6.9450 -2.4845 -2.4825 -2.4825 -2.4803 1.5090 1.5129 1.5240 1.5240 3.0461 3.0461 4.3396 4.3825 4.3825 4.4652 4.4801 4.4801 9.5151 9.5151 10.6595 10.6612 10.6890 10.6890 12.5766 12.6993 k = 0.3333 0.5774 0.0914 ( 3081 PWs) bands (ev): -7.9289 -7.9289 -7.9210 -7.8434 -7.8434 -7.8327 -7.8152 -7.8152 -7.2162 -7.0876 -7.0563 -7.0563 -7.0054 -7.0054 -6.9765 -6.9706 -6.9706 -6.9625 -6.9449 -6.9449 -2.4828 -2.4809 -2.4809 -2.4787 1.4859 1.4903 1.5014 1.5014 3.0626 3.0626 4.3737 4.3737 4.3925 4.5084 4.5084 4.5152 9.5758 9.5758 10.5582 10.5655 10.5926 10.5926 12.5338 12.6508 k = 0.3333 0.5774 0.1044 ( 3081 PWs) bands (ev): -7.9290 -7.9290 -7.9196 -7.8432 -7.8432 -7.8347 -7.8151 -7.8151 -7.2132 -7.0894 -7.0579 -7.0579 -7.0041 -7.0041 -6.9764 -6.9707 -6.9707 -6.9629 -6.9448 -6.9448 -2.4809 -2.4791 -2.4791 -2.4770 1.4611 1.4660 1.4772 1.4772 3.0815 3.0815 4.3471 4.3471 4.4510 4.5560 4.5560 4.5703 9.6447 9.6447 10.4473 10.4630 10.4880 10.4880 12.5000 12.6104 k = 0.3333 0.5774 0.1175 ( 3090 PWs) bands (ev): -7.9291 -7.9291 -7.9181 -7.8429 -7.8429 -7.8370 -7.8150 -7.8150 -7.2099 -7.0914 -7.0595 -7.0595 -7.0027 -7.0027 -6.9764 -6.9707 -6.9707 -6.9633 -6.9447 -6.9447 -2.4789 -2.4772 -2.4772 -2.4752 1.4353 1.4406 1.4518 1.4518 3.1028 3.1028 4.3124 4.3124 4.5141 4.6128 4.6128 4.6297 9.7211 9.7211 10.3309 10.3542 10.3774 10.3774 12.4737 12.5772 k = 0.3333 0.5774 0.1305 ( 3096 PWs) bands (ev): -7.9293 -7.9293 -7.9163 -7.8427 -7.8427 -7.8395 -7.8149 -7.8149 -7.2062 -7.0937 -7.0611 -7.0611 -7.0014 -7.0014 -6.9763 -6.9708 -6.9708 -6.9637 -6.9445 -6.9445 -2.4768 -2.4751 -2.4751 -2.4733 1.4089 1.4145 1.4258 1.4258 3.1266 3.1266 4.2729 4.2729 4.5809 4.6749 4.6749 4.6923 9.8047 9.8047 10.2115 10.2413 10.2632 10.2632 12.4537 12.5503 k = 0.3333 0.5774 0.1436 ( 3096 PWs) bands (ev): -7.9294 -7.9294 -7.9144 -7.8424 -7.8424 -7.8421 -7.8148 -7.8148 -7.2023 -7.0963 -7.0627 -7.0627 -7.0001 -7.0001 -6.9762 -6.9709 -6.9709 -6.9642 -6.9444 -6.9444 -2.4746 -2.4730 -2.4730 -2.4714 1.3824 1.3882 1.3998 1.3998 3.1526 3.1526 4.2302 4.2302 4.6504 4.7402 4.7402 4.7573 9.8946 9.8946 10.0912 10.1261 10.1480 10.1480 12.4390 12.5285 k = 0.3333 0.5774 0.1566 ( 3090 PWs) bands (ev): -7.9295 -7.9295 -7.9124 -7.8449 -7.8422 -7.8422 -7.8146 -7.8146 -7.1981 -7.0991 -7.0642 -7.0642 -6.9988 -6.9988 -6.9761 -6.9710 -6.9710 -6.9648 -6.9442 -6.9442 -2.4724 -2.4709 -2.4709 -2.4694 1.3565 1.3624 1.3742 1.3742 3.1809 3.1809 4.1848 4.1848 4.7217 4.8074 4.8074 4.8233 9.9720 9.9821 9.9821 10.0108 10.0419 10.0419 12.4285 12.5109 k = 0.3333 0.5774 0.1697 ( 3093 PWs) bands (ev): -7.9296 -7.9296 -7.9101 -7.8478 -7.8419 -7.8419 -7.8145 -7.8145 -7.1937 -7.1022 -7.0657 -7.0657 -6.9977 -6.9977 -6.9759 -6.9711 -6.9711 -6.9653 -6.9441 -6.9441 -2.4702 -2.4688 -2.4688 -2.4674 1.3315 1.3373 1.3493 1.3493 3.2114 3.2114 4.1375 4.1375 4.7935 4.8752 4.8752 4.8895 9.8557 9.8970 9.9128 9.9128 10.1006 10.1006 12.4215 12.4958 k = 0.3333 0.5774 0.1827 ( 3090 PWs) bands (ev): -7.9297 -7.9297 -7.9078 -7.8509 -7.8417 -7.8417 -7.8144 -7.8144 -7.1891 -7.1054 -7.0670 -7.0670 -6.9966 -6.9966 -6.9757 -6.9711 -6.9711 -6.9659 -6.9439 -6.9439 -2.4680 -2.4667 -2.4667 -2.4655 1.3078 1.3134 1.3258 1.3258 3.2440 3.2440 4.0886 4.0886 4.8648 4.9423 4.9423 4.9545 9.7442 9.7866 9.8045 9.8045 10.2078 10.2078 12.4173 12.4785 k = 0.3333 0.5774 0.1958 ( 3096 PWs) bands (ev): -7.9299 -7.9299 -7.9052 -7.8541 -7.8415 -7.8415 -7.8143 -7.8143 -7.1844 -7.1090 -7.0683 -7.0683 -6.9956 -6.9956 -6.9754 -6.9712 -6.9712 -6.9665 -6.9437 -6.9437 -2.4659 -2.4648 -2.4648 -2.4637 1.2857 1.2911 1.3038 1.3038 3.2787 3.2787 4.0386 4.0386 4.9344 5.0075 5.0075 5.0170 9.6389 9.6812 9.7006 9.7006 10.3213 10.3213 12.4153 12.4230 k = 0.3333 0.5774 0.2088 ( 3087 PWs) bands (ev): -7.9300 -7.9300 -7.9026 -7.8573 -7.8412 -7.8412 -7.8141 -7.8141 -7.1795 -7.1127 -7.0694 -7.0694 -6.9948 -6.9948 -6.9751 -6.9713 -6.9713 -6.9672 -6.9436 -6.9436 -2.4640 -2.4629 -2.4629 -2.4620 1.2657 1.2706 1.2836 1.2836 3.3152 3.3152 3.9878 3.9878 5.0010 5.0694 5.0694 5.0759 9.5417 9.5824 9.6036 9.6036 10.4398 10.4398 12.3135 12.3135 k = 0.3333 0.5774 0.2219 ( 3105 PWs) bands (ev): -7.9301 -7.9301 -7.8998 -7.8607 -7.8411 -7.8411 -7.8140 -7.8140 -7.1745 -7.1167 -7.0704 -7.0704 -6.9940 -6.9940 -6.9747 -6.9713 -6.9713 -6.9678 -6.9434 -6.9434 -2.4622 -2.4613 -2.4613 -2.4605 1.2478 1.2522 1.2657 1.2657 3.3536 3.3536 3.9367 3.9367 5.0634 5.1268 5.1268 5.1297 9.4540 9.4919 9.5154 9.5154 10.5626 10.5626 12.1898 12.1898 k = 0.3333 0.5774 0.2349 ( 3105 PWs) bands (ev): -7.9301 -7.9301 -7.8969 -7.8641 -7.8409 -7.8409 -7.8139 -7.8139 -7.1695 -7.1209 -7.0713 -7.0713 -6.9934 -6.9934 -6.9743 -6.9714 -6.9714 -6.9684 -6.9433 -6.9433 -2.4606 -2.4598 -2.4598 -2.4591 1.2324 1.2362 1.2501 1.2501 3.3936 3.3936 3.8856 3.8856 5.1202 5.1772 5.1783 5.1783 9.3774 9.4112 9.4374 9.4374 10.6892 10.6892 12.0596 12.0596 k = 0.3333 0.5774 0.2480 ( 3099 PWs) bands (ev): -7.9302 -7.9302 -7.8939 -7.8675 -7.8408 -7.8408 -7.8139 -7.8139 -7.1644 -7.1252 -7.0720 -7.0720 -6.9929 -6.9929 -6.9738 -6.9714 -6.9714 -6.9691 -6.9432 -6.9432 -2.4592 -2.4585 -2.4585 -2.4580 1.2196 1.2228 1.2371 1.2371 3.4350 3.4350 3.8349 3.8349 5.1701 5.2169 5.2226 5.2226 9.3132 9.3419 9.3713 9.3713 10.8193 10.8193 11.9251 11.9251 k = 0.3333 0.5774 0.2610 ( 3099 PWs) bands (ev): -7.9303 -7.9303 -7.8908 -7.8709 -7.8407 -7.8407 -7.8138 -7.8138 -7.1593 -7.1297 -7.0725 -7.0725 -6.9925 -6.9925 -6.9733 -6.9714 -6.9714 -6.9697 -6.9431 -6.9431 -2.4580 -2.4575 -2.4575 -2.4572 1.2097 1.2121 1.2268 1.2268 3.4773 3.4773 3.7852 3.7852 5.2120 5.2478 5.2586 5.2586 9.2628 9.2853 9.3182 9.3182 10.9522 10.9522 11.7879 11.7879 k = 0.3333 0.5774 0.2741 ( 3102 PWs) bands (ev): -7.9303 -7.9303 -7.8876 -7.8743 -7.8406 -7.8406 -7.8137 -7.8137 -7.1542 -7.1344 -7.0730 -7.0730 -6.9922 -6.9922 -6.9728 -6.9715 -6.9715 -6.9704 -6.9430 -6.9430 -2.4572 -2.4568 -2.4568 -2.4566 1.2026 1.2042 1.2194 1.2194 3.5194 3.5194 3.7377 3.7377 5.2446 5.2689 5.2851 5.2851 9.2272 9.2427 9.2794 9.2794 11.0871 11.0871 11.6494 11.6494 k = 0.3333 0.5774 0.2872 ( 3108 PWs) bands (ev): -7.9303 -7.9303 -7.8844 -7.8777 -7.8405 -7.8405 -7.8137 -7.8137 -7.1491 -7.1392 -7.0732 -7.0732 -6.9920 -6.9920 -6.9722 -6.9715 -6.9715 -6.9710 -6.9430 -6.9430 -2.4566 -2.4564 -2.4564 -2.4563 1.1985 1.1993 1.2149 1.2149 3.5578 3.5578 3.6961 3.6961 5.2670 5.2793 5.3013 5.3013 9.2071 9.2150 9.2558 9.2558 11.2224 11.2224 11.5118 11.5118 k = 0.3333 0.5774 0.3002 ( 3108 PWs) bands (ev): -7.9303 -7.9303 -7.8811 -7.8811 -7.8405 -7.8405 -7.8137 -7.8137 -7.1441 -7.1441 -7.0733 -7.0733 -6.9920 -6.9920 -6.9716 -6.9716 -6.9715 -6.9715 -6.9430 -6.9430 -2.4563 -2.4563 -2.4562 -2.4562 1.1974 1.1974 1.2134 1.2134 3.5775 3.5775 3.6753 3.6753 5.2787 5.2787 5.3068 5.3068 9.2031 9.2031 9.2478 9.2478 11.3287 11.3287 11.4047 11.4047 Writing output data file InP.save init_run : 2.99s CPU 13.68s WALL ( 1 calls) electrons : 432.95s CPU 442.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.53s WALL ( 1 calls) Called by electrons: c_bands : 432.92s CPU 441.93s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.14s CPU 0.56s WALL ( 1 calls) newd : 0.14s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 320 calls) cegterg : 372.48s CPU 375.50s WALL ( 699 calls) Called by sum_band: Called by *egterg: h_psi : 155.18s CPU 161.33s WALL ( 11608 calls) s_psi : 14.09s CPU 14.65s WALL ( 11608 calls) g_psi : 0.37s CPU 0.42s WALL ( 10589 calls) cdiaghg : 150.90s CPU 148.57s WALL ( 10909 calls) cegterg:over : 31.99s CPU 29.52s WALL ( 10589 calls) cegterg:upda : 4.86s CPU 7.41s WALL ( 10589 calls) cegterg:last : 4.80s CPU 5.52s WALL ( 1874 calls) Called by h_psi: h_psi:vloc : 125.75s CPU 130.96s WALL ( 11608 calls) h_psi:vnl : 29.29s CPU 29.93s WALL ( 11608 calls) add_vuspsi : 8.41s CPU 11.27s WALL ( 11608 calls) General routines calbec : 20.85s CPU 18.56s WALL ( 11608 calls) fft : 0.17s CPU 1.26s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 119.82s CPU 123.59s WALL ( 968420 calls) interpolate : 0.05s CPU 0.07s WALL ( 4 calls) davcio : 0.04s CPU 5.21s WALL ( 640 calls) Parallel routines fft_scatter : 94.19s CPU 95.38s WALL ( 968443 calls) PWSCF : 7m59.55s CPU 10m 9.26s WALL This run was terminated on: 9: 8: 4 24Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=