Program PWSCF v.5.1.1 starts on 18Oct2015 at 20:35:43 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: ./LiBeSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 76 36 10 6132 1982 296 Max 77 37 12 6143 2015 300 Sum 3679 1759 499 294641 95885 14269 bravais-lattice index = 14 lattice parameter (alat) = 7.8461 a.u. unit-cell volume = 678.8485 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.846142 celldm(2)= 1.000000 celldm(3)= 1.622832 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 1.622832 ) 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 0.616207 ) PseudoPot. # 1 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 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 Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Be read from file: /home/autes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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 Sb 5.00 121.76000 Sb( 1.00) Li 3.00 6.94100 Li( 1.00) Be 4.00 9.01220 Be( 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 ) ( 0.8114162 ) 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 ) ( 0.8114162 ) 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 ) ( 0.8114162 ) 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 ) ( 0.8114162 ) 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 ) ( 0.8114162 ) 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 ) ( 0.8114162 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 323 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0030960 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0030960 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0030960 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0030960 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0030960 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0030960 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0030960 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0030960 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0030960 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0030960 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0030960 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0030960 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0030960 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0030960 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0030960 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0030960 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0030960 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0030960 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0030960 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0030960 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0030960 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0030960 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0030960 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0030960 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0030960 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0030960 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0030960 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0030960 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0030960 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0030960 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0030960 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0030960 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0030960 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0030960 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0030960 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0030960 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0030960 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0030960 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0030960 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0030960 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0030960 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0030960 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0030960 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0030960 k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0030960 k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0030960 k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0030960 k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0030960 k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0030960 k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0030960 k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0030960 k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0030960 k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0030960 k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0030960 k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0030960 k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0030960 k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0030960 k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0030960 k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0030960 k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0030960 k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0030960 k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0030960 k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0030960 k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0030960 k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0030960 k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0030960 k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0030960 k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0030960 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0030960 k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0030960 k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0030960 k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0030960 k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0030960 k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0030960 k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0030960 k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0030960 k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0030960 k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0030960 k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0030960 k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0030960 k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0030960 k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0030960 k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0030960 k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0030960 k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0030960 k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0030960 k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0030960 k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0030960 k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0030960 k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0030960 k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0030960 k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0030960 k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0030960 k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0030960 k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0030960 k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0030960 k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0030960 k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0030960 k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0030960 k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0030960 k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0030960 k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0030960 k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0030960 k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0030960 k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0030960 k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0030960 k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0030960 k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0030960 k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0030960 k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0030960 k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0030960 k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0030960 k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0030960 k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0030960 k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0030960 k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0030960 k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0030960 k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0030960 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 126) = ( 0.0000000 0.0000000 0.0128376), wk = 0.0030960 k( 127) = ( 0.0000000 0.0000000 0.0256753), wk = 0.0030960 k( 128) = ( 0.0000000 0.0000000 0.0385129), wk = 0.0030960 k( 129) = ( 0.0000000 0.0000000 0.0513505), wk = 0.0030960 k( 130) = ( 0.0000000 0.0000000 0.0641882), wk = 0.0030960 k( 131) = ( 0.0000000 0.0000000 0.0770258), wk = 0.0030960 k( 132) = ( 0.0000000 0.0000000 0.0898635), wk = 0.0030960 k( 133) = ( 0.0000000 0.0000000 0.1027011), wk = 0.0030960 k( 134) = ( 0.0000000 0.0000000 0.1155387), wk = 0.0030960 k( 135) = ( 0.0000000 0.0000000 0.1283764), wk = 0.0030960 k( 136) = ( 0.0000000 0.0000000 0.1412140), wk = 0.0030960 k( 137) = ( 0.0000000 0.0000000 0.1540516), wk = 0.0030960 k( 138) = ( 0.0000000 0.0000000 0.1668893), wk = 0.0030960 k( 139) = ( 0.0000000 0.0000000 0.1797269), wk = 0.0030960 k( 140) = ( 0.0000000 0.0000000 0.1925646), wk = 0.0030960 k( 141) = ( 0.0000000 0.0000000 0.2054022), wk = 0.0030960 k( 142) = ( 0.0000000 0.0000000 0.2182398), wk = 0.0030960 k( 143) = ( 0.0000000 0.0000000 0.2310775), wk = 0.0030960 k( 144) = ( 0.0000000 0.0000000 0.2439151), wk = 0.0030960 k( 145) = ( 0.0000000 0.0000000 0.2567527), wk = 0.0030960 k( 146) = ( 0.0000000 0.0000000 0.2695904), wk = 0.0030960 k( 147) = ( 0.0000000 0.0000000 0.2824280), wk = 0.0030960 k( 148) = ( 0.0000000 0.0000000 0.2952657), wk = 0.0030960 k( 149) = ( 0.0000000 0.0000000 0.3081033), wk = 0.0030960 k( 150) = ( 0.0000000 0.0000000 0.3081033), wk = 0.0030960 k( 151) = ( 0.0113636 0.0065608 0.3081033), wk = 0.0030960 k( 152) = ( 0.0227273 0.0131216 0.3081033), wk = 0.0030960 k( 153) = ( 0.0340909 0.0196824 0.3081033), wk = 0.0030960 k( 154) = ( 0.0454546 0.0262432 0.3081033), wk = 0.0030960 k( 155) = ( 0.0568182 0.0328040 0.3081033), wk = 0.0030960 k( 156) = ( 0.0681818 0.0393648 0.3081033), wk = 0.0030960 k( 157) = ( 0.0795455 0.0459256 0.3081033), wk = 0.0030960 k( 158) = ( 0.0909091 0.0524864 0.3081033), wk = 0.0030960 k( 159) = ( 0.1022727 0.0590472 0.3081033), wk = 0.0030960 k( 160) = ( 0.1136364 0.0656080 0.3081033), wk = 0.0030960 k( 161) = ( 0.1250000 0.0721688 0.3081033), wk = 0.0030960 k( 162) = ( 0.1363636 0.0787296 0.3081033), wk = 0.0030960 k( 163) = ( 0.1477273 0.0852904 0.3081033), wk = 0.0030960 k( 164) = ( 0.1590909 0.0918512 0.3081033), wk = 0.0030960 k( 165) = ( 0.1704546 0.0984120 0.3081033), wk = 0.0030960 k( 166) = ( 0.1818182 0.1049728 0.3081033), wk = 0.0030960 k( 167) = ( 0.1931818 0.1115336 0.3081033), wk = 0.0030960 k( 168) = ( 0.2045454 0.1180944 0.3081033), wk = 0.0030960 k( 169) = ( 0.2159091 0.1246552 0.3081033), wk = 0.0030960 k( 170) = ( 0.2272727 0.1312160 0.3081033), wk = 0.0030960 k( 171) = ( 0.2386364 0.1377768 0.3081033), wk = 0.0030960 k( 172) = ( 0.2500000 0.1443376 0.3081033), wk = 0.0030960 k( 173) = ( 0.2613636 0.1508984 0.3081033), wk = 0.0030960 k( 174) = ( 0.2727273 0.1574592 0.3081033), wk = 0.0030960 k( 175) = ( 0.2840909 0.1640200 0.3081033), wk = 0.0030960 k( 176) = ( 0.2954545 0.1705808 0.3081033), wk = 0.0030960 k( 177) = ( 0.3068182 0.1771416 0.3081033), wk = 0.0030960 k( 178) = ( 0.3181818 0.1837024 0.3081033), wk = 0.0030960 k( 179) = ( 0.3295455 0.1902632 0.3081033), wk = 0.0030960 k( 180) = ( 0.3409091 0.1968240 0.3081033), wk = 0.0030960 k( 181) = ( 0.3522727 0.2033848 0.3081033), wk = 0.0030960 k( 182) = ( 0.3636364 0.2099456 0.3081033), wk = 0.0030960 k( 183) = ( 0.3750000 0.2165064 0.3081033), wk = 0.0030960 k( 184) = ( 0.3863636 0.2230672 0.3081033), wk = 0.0030960 k( 185) = ( 0.3977273 0.2296279 0.3081033), wk = 0.0030960 k( 186) = ( 0.4090909 0.2361887 0.3081033), wk = 0.0030960 k( 187) = ( 0.4204545 0.2427495 0.3081033), wk = 0.0030960 k( 188) = ( 0.4318182 0.2493103 0.3081033), wk = 0.0030960 k( 189) = ( 0.4431818 0.2558711 0.3081033), wk = 0.0030960 k( 190) = ( 0.4545455 0.2624319 0.3081033), wk = 0.0030960 k( 191) = ( 0.4659091 0.2689927 0.3081033), wk = 0.0030960 k( 192) = ( 0.4772727 0.2755535 0.3081033), wk = 0.0030960 k( 193) = ( 0.4886364 0.2821143 0.3081033), wk = 0.0030960 k( 194) = ( 0.5000000 0.2886751 0.3081033), wk = 0.0030960 k( 195) = ( 0.5000000 0.2886751 0.3081033), wk = 0.0030960 k( 196) = ( 0.4935897 0.2997780 0.3081033), wk = 0.0030960 k( 197) = ( 0.4871795 0.3108809 0.3081033), wk = 0.0030960 k( 198) = ( 0.4807692 0.3219838 0.3081033), wk = 0.0030960 k( 199) = ( 0.4743590 0.3330867 0.3081033), wk = 0.0030960 k( 200) = ( 0.4679487 0.3441896 0.3081033), wk = 0.0030960 k( 201) = ( 0.4615385 0.3552925 0.3081033), wk = 0.0030960 k( 202) = ( 0.4551282 0.3663954 0.3081033), wk = 0.0030960 k( 203) = ( 0.4487179 0.3774983 0.3081033), wk = 0.0030960 k( 204) = ( 0.4423077 0.3886011 0.3081033), wk = 0.0030960 k( 205) = ( 0.4358974 0.3997040 0.3081033), wk = 0.0030960 k( 206) = ( 0.4294872 0.4108069 0.3081033), wk = 0.0030960 k( 207) = ( 0.4230769 0.4219098 0.3081033), wk = 0.0030960 k( 208) = ( 0.4166667 0.4330127 0.3081033), wk = 0.0030960 k( 209) = ( 0.4102564 0.4441156 0.3081033), wk = 0.0030960 k( 210) = ( 0.4038462 0.4552185 0.3081033), wk = 0.0030960 k( 211) = ( 0.3974359 0.4663214 0.3081033), wk = 0.0030960 k( 212) = ( 0.3910256 0.4774243 0.3081033), wk = 0.0030960 k( 213) = ( 0.3846154 0.4885271 0.3081033), wk = 0.0030960 k( 214) = ( 0.3782051 0.4996300 0.3081033), wk = 0.0030960 k( 215) = ( 0.3717949 0.5107329 0.3081033), wk = 0.0030960 k( 216) = ( 0.3653846 0.5218358 0.3081033), wk = 0.0030960 k( 217) = ( 0.3589744 0.5329387 0.3081033), wk = 0.0030960 k( 218) = ( 0.3525641 0.5440416 0.3081033), wk = 0.0030960 k( 219) = ( 0.3461538 0.5551445 0.3081033), wk = 0.0030960 k( 220) = ( 0.3397436 0.5662474 0.3081033), wk = 0.0030960 k( 221) = ( 0.3333333 0.5773503 0.3081033), wk = 0.0030960 k( 222) = ( 0.3333333 0.5773503 0.3081033), wk = 0.0030960 k( 223) = ( 0.3267974 0.5660297 0.3081033), wk = 0.0030960 k( 224) = ( 0.3202614 0.5547091 0.3081033), wk = 0.0030960 k( 225) = ( 0.3137255 0.5433885 0.3081033), wk = 0.0030960 k( 226) = ( 0.3071895 0.5320679 0.3081033), wk = 0.0030960 k( 227) = ( 0.3006536 0.5207473 0.3081033), wk = 0.0030960 k( 228) = ( 0.2941177 0.5094267 0.3081033), wk = 0.0030960 k( 229) = ( 0.2875817 0.4981061 0.3081033), wk = 0.0030960 k( 230) = ( 0.2810457 0.4867855 0.3081033), wk = 0.0030960 k( 231) = ( 0.2745098 0.4754649 0.3081033), wk = 0.0030960 k( 232) = ( 0.2679739 0.4641443 0.3081033), wk = 0.0030960 k( 233) = ( 0.2614379 0.4528237 0.3081033), wk = 0.0030960 k( 234) = ( 0.2549020 0.4415031 0.3081033), wk = 0.0030960 k( 235) = ( 0.2483660 0.4301825 0.3081033), wk = 0.0030960 k( 236) = ( 0.2418301 0.4188620 0.3081033), wk = 0.0030960 k( 237) = ( 0.2352941 0.4075414 0.3081033), wk = 0.0030960 k( 238) = ( 0.2287582 0.3962208 0.3081033), wk = 0.0030960 k( 239) = ( 0.2222222 0.3849002 0.3081033), wk = 0.0030960 k( 240) = ( 0.2156863 0.3735796 0.3081033), wk = 0.0030960 k( 241) = ( 0.2091503 0.3622590 0.3081033), wk = 0.0030960 k( 242) = ( 0.2026144 0.3509384 0.3081033), wk = 0.0030960 k( 243) = ( 0.1960784 0.3396178 0.3081033), wk = 0.0030960 k( 244) = ( 0.1895425 0.3282972 0.3081033), wk = 0.0030960 k( 245) = ( 0.1830065 0.3169766 0.3081033), wk = 0.0030960 k( 246) = ( 0.1764706 0.3056560 0.3081033), wk = 0.0030960 k( 247) = ( 0.1699346 0.2943354 0.3081033), wk = 0.0030960 k( 248) = ( 0.1633987 0.2830148 0.3081033), wk = 0.0030960 k( 249) = ( 0.1568627 0.2716943 0.3081033), wk = 0.0030960 k( 250) = ( 0.1503268 0.2603737 0.3081033), wk = 0.0030960 k( 251) = ( 0.1437908 0.2490531 0.3081033), wk = 0.0030960 k( 252) = ( 0.1372549 0.2377325 0.3081033), wk = 0.0030960 k( 253) = ( 0.1307190 0.2264119 0.3081033), wk = 0.0030960 k( 254) = ( 0.1241830 0.2150913 0.3081033), wk = 0.0030960 k( 255) = ( 0.1176471 0.2037707 0.3081033), wk = 0.0030960 k( 256) = ( 0.1111111 0.1924501 0.3081033), wk = 0.0030960 k( 257) = ( 0.1045752 0.1811295 0.3081033), wk = 0.0030960 k( 258) = ( 0.0980392 0.1698089 0.3081033), wk = 0.0030960 k( 259) = ( 0.0915033 0.1584883 0.3081033), wk = 0.0030960 k( 260) = ( 0.0849673 0.1471677 0.3081033), wk = 0.0030960 k( 261) = ( 0.0784314 0.1358471 0.3081033), wk = 0.0030960 k( 262) = ( 0.0718954 0.1245265 0.3081033), wk = 0.0030960 k( 263) = ( 0.0653595 0.1132059 0.3081033), wk = 0.0030960 k( 264) = ( 0.0588235 0.1018853 0.3081033), wk = 0.0030960 k( 265) = ( 0.0522876 0.0905647 0.3081033), wk = 0.0030960 k( 266) = ( 0.0457516 0.0792441 0.3081033), wk = 0.0030960 k( 267) = ( 0.0392157 0.0679236 0.3081033), wk = 0.0030960 k( 268) = ( 0.0326797 0.0566030 0.3081033), wk = 0.0030960 k( 269) = ( 0.0261438 0.0452824 0.3081033), wk = 0.0030960 k( 270) = ( 0.0196078 0.0339618 0.3081033), wk = 0.0030960 k( 271) = ( 0.0130719 0.0226412 0.3081033), wk = 0.0030960 k( 272) = ( 0.0065359 0.0113206 0.3081033), wk = 0.0030960 k( 273) = ( 0.0000000 0.0000000 0.3081033), wk = 0.0030960 k( 274) = ( 0.5000000 0.2886751 0.3081033), wk = 0.0030960 k( 275) = ( 0.5000000 0.2886751 0.2952657), wk = 0.0030960 k( 276) = ( 0.5000000 0.2886751 0.2824280), wk = 0.0030960 k( 277) = ( 0.5000000 0.2886751 0.2695904), wk = 0.0030960 k( 278) = ( 0.5000000 0.2886751 0.2567527), wk = 0.0030960 k( 279) = ( 0.5000000 0.2886751 0.2439151), wk = 0.0030960 k( 280) = ( 0.5000000 0.2886751 0.2310775), wk = 0.0030960 k( 281) = ( 0.5000000 0.2886751 0.2182398), wk = 0.0030960 k( 282) = ( 0.5000000 0.2886751 0.2054022), wk = 0.0030960 k( 283) = ( 0.5000000 0.2886751 0.1925646), wk = 0.0030960 k( 284) = ( 0.5000000 0.2886751 0.1797269), wk = 0.0030960 k( 285) = ( 0.5000000 0.2886751 0.1668893), wk = 0.0030960 k( 286) = ( 0.5000000 0.2886751 0.1540516), wk = 0.0030960 k( 287) = ( 0.5000000 0.2886751 0.1412140), wk = 0.0030960 k( 288) = ( 0.5000000 0.2886751 0.1283764), wk = 0.0030960 k( 289) = ( 0.5000000 0.2886751 0.1155387), wk = 0.0030960 k( 290) = ( 0.5000000 0.2886751 0.1027011), wk = 0.0030960 k( 291) = ( 0.5000000 0.2886751 0.0898635), wk = 0.0030960 k( 292) = ( 0.5000000 0.2886751 0.0770258), wk = 0.0030960 k( 293) = ( 0.5000000 0.2886751 0.0641882), wk = 0.0030960 k( 294) = ( 0.5000000 0.2886751 0.0513505), wk = 0.0030960 k( 295) = ( 0.5000000 0.2886751 0.0385129), wk = 0.0030960 k( 296) = ( 0.5000000 0.2886751 0.0256753), wk = 0.0030960 k( 297) = ( 0.5000000 0.2886751 0.0128376), wk = 0.0030960 k( 298) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 299) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 300) = ( 0.3333333 0.5773503 0.0128376), wk = 0.0030960 k( 301) = ( 0.3333333 0.5773503 0.0256753), wk = 0.0030960 k( 302) = ( 0.3333333 0.5773503 0.0385129), wk = 0.0030960 k( 303) = ( 0.3333333 0.5773503 0.0513505), wk = 0.0030960 k( 304) = ( 0.3333333 0.5773503 0.0641882), wk = 0.0030960 k( 305) = ( 0.3333333 0.5773503 0.0770258), wk = 0.0030960 k( 306) = ( 0.3333333 0.5773503 0.0898635), wk = 0.0030960 k( 307) = ( 0.3333333 0.5773503 0.1027011), wk = 0.0030960 k( 308) = ( 0.3333333 0.5773503 0.1155387), wk = 0.0030960 k( 309) = ( 0.3333333 0.5773503 0.1283764), wk = 0.0030960 k( 310) = ( 0.3333333 0.5773503 0.1412140), wk = 0.0030960 k( 311) = ( 0.3333333 0.5773503 0.1540516), wk = 0.0030960 k( 312) = ( 0.3333333 0.5773503 0.1668893), wk = 0.0030960 k( 313) = ( 0.3333333 0.5773503 0.1797269), wk = 0.0030960 k( 314) = ( 0.3333333 0.5773503 0.1925646), wk = 0.0030960 k( 315) = ( 0.3333333 0.5773503 0.2054022), wk = 0.0030960 k( 316) = ( 0.3333333 0.5773503 0.2182398), wk = 0.0030960 k( 317) = ( 0.3333333 0.5773503 0.2310775), wk = 0.0030960 k( 318) = ( 0.3333333 0.5773503 0.2439151), wk = 0.0030960 k( 319) = ( 0.3333333 0.5773503 0.2567527), wk = 0.0030960 k( 320) = ( 0.3333333 0.5773503 0.2695904), wk = 0.0030960 k( 321) = ( 0.3333333 0.5773503 0.2824280), wk = 0.0030960 k( 322) = ( 0.3333333 0.5773503 0.2952657), wk = 0.0030960 k( 323) = ( 0.3333333 0.5773503 0.3081033), wk = 0.0030960 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0030960 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0030960 k( 4) = ( 0.0340909 0.0000000 -0.0000000), wk = 0.0030960 k( 5) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0030960 k( 6) = ( 0.0568182 0.0000000 -0.0000000), wk = 0.0030960 k( 7) = ( 0.0681818 0.0000000 -0.0000000), wk = 0.0030960 k( 8) = ( 0.0795455 -0.0000000 0.0000000), wk = 0.0030960 k( 9) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0030960 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0030960 k( 11) = ( 0.1136364 0.0000000 -0.0000000), wk = 0.0030960 k( 12) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0030960 k( 13) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0030960 k( 14) = ( 0.1477273 -0.0000000 0.0000000), wk = 0.0030960 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0030960 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0030960 k( 17) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0030960 k( 18) = ( 0.1931818 -0.0000000 0.0000000), wk = 0.0030960 k( 19) = ( 0.2045454 -0.0000000 0.0000000), wk = 0.0030960 k( 20) = ( 0.2159091 -0.0000000 0.0000000), wk = 0.0030960 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0030960 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0030960 k( 23) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0030960 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0030960 k( 25) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0030960 k( 26) = ( 0.2840909 0.0000000 -0.0000000), wk = 0.0030960 k( 27) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0030960 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0030960 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0030960 k( 30) = ( 0.3295455 -0.0000000 0.0000000), wk = 0.0030960 k( 31) = ( 0.3409091 -0.0000000 0.0000000), wk = 0.0030960 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0030960 k( 33) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0030960 k( 34) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0030960 k( 35) = ( 0.3863636 -0.0000000 0.0000000), wk = 0.0030960 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0030960 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0030960 k( 38) = ( 0.4204545 -0.0000000 0.0000000), wk = 0.0030960 k( 39) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0030960 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0030960 k( 41) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0030960 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0030960 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0030960 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0030960 k( 45) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030960 k( 46) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030960 k( 47) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0030960 k( 48) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0030960 k( 49) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0030960 k( 50) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0030960 k( 51) = ( 0.4679487 0.0641026 -0.0000000), wk = 0.0030960 k( 52) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0030960 k( 53) = ( 0.4551282 0.0897436 -0.0000000), wk = 0.0030960 k( 54) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0030960 k( 55) = ( 0.4423077 0.1153846 -0.0000000), wk = 0.0030960 k( 56) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0030960 k( 57) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0030960 k( 58) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0030960 k( 59) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0030960 k( 60) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0030960 k( 61) = ( 0.4038462 0.1923077 -0.0000000), wk = 0.0030960 k( 62) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0030960 k( 63) = ( 0.3910256 0.2179487 -0.0000000), wk = 0.0030960 k( 64) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0030960 k( 65) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0030960 k( 66) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0030960 k( 67) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0030960 k( 68) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0030960 k( 69) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0030960 k( 70) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0030960 k( 71) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0030960 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 74) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0030960 k( 75) = ( 0.3202614 0.3202614 0.0000000), wk = 0.0030960 k( 76) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0030960 k( 77) = ( 0.3071895 0.3071895 0.0000000), wk = 0.0030960 k( 78) = ( 0.3006536 0.3006536 -0.0000000), wk = 0.0030960 k( 79) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0030960 k( 80) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0030960 k( 81) = ( 0.2810457 0.2810457 0.0000000), wk = 0.0030960 k( 82) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0030960 k( 83) = ( 0.2679739 0.2679739 0.0000000), wk = 0.0030960 k( 84) = ( 0.2614379 0.2614379 -0.0000000), wk = 0.0030960 k( 85) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0030960 k( 86) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0030960 k( 87) = ( 0.2418301 0.2418301 0.0000000), wk = 0.0030960 k( 88) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0030960 k( 89) = ( 0.2287582 0.2287582 0.0000000), wk = 0.0030960 k( 90) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0030960 k( 91) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0030960 k( 92) = ( 0.2091503 0.2091503 0.0000000), wk = 0.0030960 k( 93) = ( 0.2026144 0.2026144 0.0000000), wk = 0.0030960 k( 94) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0030960 k( 95) = ( 0.1895425 0.1895425 -0.0000000), wk = 0.0030960 k( 96) = ( 0.1830065 0.1830065 -0.0000000), wk = 0.0030960 k( 97) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0030960 k( 98) = ( 0.1699346 0.1699346 0.0000000), wk = 0.0030960 k( 99) = ( 0.1633987 0.1633987 -0.0000000), wk = 0.0030960 k( 100) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0030960 k( 101) = ( 0.1503268 0.1503268 0.0000000), wk = 0.0030960 k( 102) = ( 0.1437908 0.1437908 0.0000000), wk = 0.0030960 k( 103) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0030960 k( 104) = ( 0.1307190 0.1307190 0.0000000), wk = 0.0030960 k( 105) = ( 0.1241830 0.1241830 0.0000000), wk = 0.0030960 k( 106) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0030960 k( 107) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0030960 k( 108) = ( 0.1045752 0.1045752 0.0000000), wk = 0.0030960 k( 109) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0030960 k( 110) = ( 0.0915033 0.0915033 -0.0000000), wk = 0.0030960 k( 111) = ( 0.0849673 0.0849673 0.0000000), wk = 0.0030960 k( 112) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0030960 k( 113) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0030960 k( 114) = ( 0.0653595 0.0653595 0.0000000), wk = 0.0030960 k( 115) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0030960 k( 116) = ( 0.0522876 0.0522876 0.0000000), wk = 0.0030960 k( 117) = ( 0.0457516 0.0457516 0.0000000), wk = 0.0030960 k( 118) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0030960 k( 119) = ( 0.0326797 0.0326797 0.0000000), wk = 0.0030960 k( 120) = ( 0.0261438 0.0261438 0.0000000), wk = 0.0030960 k( 121) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0030960 k( 122) = ( 0.0130719 0.0130719 0.0000000), wk = 0.0030960 k( 123) = ( 0.0065359 0.0065359 0.0000000), wk = 0.0030960 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 126) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0030960 k( 127) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0030960 k( 128) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030960 k( 129) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030960 k( 130) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0030960 k( 131) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030960 k( 132) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0030960 k( 133) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030960 k( 134) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030960 k( 135) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0030960 k( 136) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0030960 k( 137) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030960 k( 138) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0030960 k( 139) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0030960 k( 140) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030960 k( 141) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030960 k( 142) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0030960 k( 143) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030960 k( 144) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0030960 k( 145) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030960 k( 146) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030960 k( 147) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0030960 k( 148) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0030960 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 151) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0030960 k( 152) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0030960 k( 153) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0030960 k( 154) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0030960 k( 155) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0030960 k( 156) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0030960 k( 157) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0030960 k( 158) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0030960 k( 159) = ( 0.1022727 -0.0000000 0.5000000), wk = 0.0030960 k( 160) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0030960 k( 161) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0030960 k( 162) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0030960 k( 163) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0030960 k( 164) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0030960 k( 165) = ( 0.1704546 -0.0000000 0.5000000), wk = 0.0030960 k( 166) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0030960 k( 167) = ( 0.1931818 -0.0000000 0.5000000), wk = 0.0030960 k( 168) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0030960 k( 169) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0030960 k( 170) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0030960 k( 171) = ( 0.2386364 -0.0000000 0.5000000), wk = 0.0030960 k( 172) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0030960 k( 173) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0030960 k( 174) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0030960 k( 175) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0030960 k( 176) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0030960 k( 177) = ( 0.3068182 -0.0000000 0.5000000), wk = 0.0030960 k( 178) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0030960 k( 179) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0030960 k( 180) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0030960 k( 181) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0030960 k( 182) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0030960 k( 183) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0030960 k( 184) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0030960 k( 185) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0030960 k( 186) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0030960 k( 187) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0030960 k( 188) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0030960 k( 189) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0030960 k( 190) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0030960 k( 191) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0030960 k( 192) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0030960 k( 193) = ( 0.4886364 -0.0000000 0.5000000), wk = 0.0030960 k( 194) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030960 k( 195) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030960 k( 196) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0030960 k( 197) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0030960 k( 198) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0030960 k( 199) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0030960 k( 200) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0030960 k( 201) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0030960 k( 202) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0030960 k( 203) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0030960 k( 204) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0030960 k( 205) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0030960 k( 206) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0030960 k( 207) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0030960 k( 208) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030960 k( 209) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0030960 k( 210) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0030960 k( 211) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0030960 k( 212) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0030960 k( 213) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0030960 k( 214) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0030960 k( 215) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0030960 k( 216) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0030960 k( 217) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0030960 k( 218) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0030960 k( 219) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0030960 k( 220) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0030960 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 k( 222) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 k( 223) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0030960 k( 224) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0030960 k( 225) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0030960 k( 226) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0030960 k( 227) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0030960 k( 228) = ( 0.2941177 0.2941176 0.5000000), wk = 0.0030960 k( 229) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0030960 k( 230) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0030960 k( 231) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0030960 k( 232) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0030960 k( 233) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0030960 k( 234) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0030960 k( 235) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0030960 k( 236) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0030960 k( 237) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0030960 k( 238) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0030960 k( 239) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0030960 k( 240) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0030960 k( 241) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0030960 k( 242) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0030960 k( 243) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0030960 k( 244) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0030960 k( 245) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0030960 k( 246) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0030960 k( 247) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0030960 k( 248) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0030960 k( 249) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0030960 k( 250) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0030960 k( 251) = ( 0.1437908 0.1437908 0.5000000), wk = 0.0030960 k( 252) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0030960 k( 253) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0030960 k( 254) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0030960 k( 255) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0030960 k( 256) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0030960 k( 257) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0030960 k( 258) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0030960 k( 259) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0030960 k( 260) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0030960 k( 261) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0030960 k( 262) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0030960 k( 263) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0030960 k( 264) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0030960 k( 265) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0030960 k( 266) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0030960 k( 267) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0030960 k( 268) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0030960 k( 269) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0030960 k( 270) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0030960 k( 271) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0030960 k( 272) = ( 0.0065359 0.0065359 0.5000000), wk = 0.0030960 k( 273) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 274) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030960 k( 275) = ( 0.5000000 -0.0000000 0.4791667), wk = 0.0030960 k( 276) = ( 0.5000000 -0.0000000 0.4583333), wk = 0.0030960 k( 277) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0030960 k( 278) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0030960 k( 279) = ( 0.5000000 -0.0000000 0.3958333), wk = 0.0030960 k( 280) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0030960 k( 281) = ( 0.5000000 -0.0000000 0.3541667), wk = 0.0030960 k( 282) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0030960 k( 283) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0030960 k( 284) = ( 0.5000000 -0.0000000 0.2916667), wk = 0.0030960 k( 285) = ( 0.5000000 -0.0000000 0.2708333), wk = 0.0030960 k( 286) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0030960 k( 287) = ( 0.5000000 -0.0000000 0.2291667), wk = 0.0030960 k( 288) = ( 0.5000000 -0.0000000 0.2083333), wk = 0.0030960 k( 289) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0030960 k( 290) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0030960 k( 291) = ( 0.5000000 -0.0000000 0.1458333), wk = 0.0030960 k( 292) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0030960 k( 293) = ( 0.5000000 -0.0000000 0.1041667), wk = 0.0030960 k( 294) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0030960 k( 295) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0030960 k( 296) = ( 0.5000000 -0.0000000 0.0416667), wk = 0.0030960 k( 297) = ( 0.5000000 -0.0000000 0.0208333), wk = 0.0030960 k( 298) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030960 k( 299) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 300) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0030960 k( 301) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0030960 k( 302) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0030960 k( 303) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0030960 k( 304) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0030960 k( 305) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0030960 k( 306) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0030960 k( 307) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0030960 k( 308) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0030960 k( 309) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0030960 k( 310) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0030960 k( 311) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0030960 k( 312) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0030960 k( 313) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0030960 k( 314) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0030960 k( 315) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030960 k( 316) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0030960 k( 317) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0030960 k( 318) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0030960 k( 319) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0030960 k( 320) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0030960 k( 321) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0030960 k( 322) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0030960 k( 323) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 Dense grid: 294641 G-vectors FFT dimensions: ( 75, 75, 120) Smooth grid: 95885 G-vectors FFT dimensions: ( 54, 54, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 520, 32) NL pseudopotentials 0.49 Mb ( 260, 124) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.05 Mb ( 6143) G-vector shells 0.02 Mb ( 2818) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 520, 128) Each subspace H/S matrix 0.25 Mb ( 128, 128) Each matrix 0.12 Mb ( 124, 2, 32) The potential is recalculated from file : ./LiBeSb.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.1 secs Computing kpt #: 2 total cpu time spent up to now is 42.0 secs Computing kpt #: 3 total cpu time spent up to now is 43.8 secs Computing kpt #: 4 total cpu time spent up to now is 45.7 secs Computing kpt #: 5 total cpu time spent up to now is 47.7 secs Computing kpt #: 6 total cpu time spent up to now is 49.6 secs Computing kpt #: 7 total cpu time spent up to now is 51.7 secs Computing kpt #: 8 total cpu time spent up to now is 53.7 secs Computing kpt #: 9 total cpu time spent up to now is 55.7 secs Computing kpt #: 10 total cpu time spent up to now is 57.7 secs Computing kpt #: 11 total cpu time spent up to now is 60.3 secs Computing kpt #: 12 total cpu time spent up to now is 62.9 secs Computing kpt #: 13 total cpu time spent up to now is 65.5 secs Computing kpt #: 14 total cpu time spent up to now is 67.7 secs Computing kpt #: 15 total cpu time spent up to now is 70.2 secs Computing kpt #: 16 total cpu time spent up to now is 72.5 secs Computing kpt #: 17 total cpu time spent up to now is 75.1 secs Computing kpt #: 18 total cpu time spent up to now is 77.1 secs Computing kpt #: 19 total cpu time spent up to now is 79.1 secs Computing kpt #: 20 total cpu time spent up to now is 81.1 secs Computing kpt #: 21 total cpu time spent up to now is 83.1 secs Computing kpt #: 22 total cpu time spent up to now is 85.2 secs Computing kpt #: 23 total cpu time spent up to now is 87.4 secs Computing kpt #: 24 total cpu time spent up to now is 89.7 secs Computing kpt #: 25 total cpu time spent up to now is 91.8 secs Computing kpt #: 26 total cpu time spent up to now is 93.7 secs Computing kpt #: 27 total cpu time spent up to now is 95.5 secs Computing kpt #: 28 total cpu time spent up to now is 97.4 secs Computing kpt #: 29 total cpu time spent up to now is 99.4 secs Computing kpt #: 30 total cpu time spent up to now is 101.3 secs Computing kpt #: 31 total cpu time spent up to now is 103.1 secs Computing kpt #: 32 total cpu time spent up to now is 105.1 secs Computing kpt #: 33 total cpu time spent up to now is 107.0 secs Computing kpt #: 34 total cpu time spent up to now is 108.9 secs Computing kpt #: 35 total cpu time spent up to now is 110.8 secs Computing kpt #: 36 total cpu time spent up to now is 112.8 secs Computing kpt #: 37 total cpu time spent up to now is 114.9 secs Computing kpt #: 38 total cpu time spent up to now is 116.9 secs Computing kpt #: 39 total cpu time spent up to now is 119.0 secs Computing kpt #: 40 total cpu time spent up to now is 121.1 secs Computing kpt #: 41 total cpu time spent up to now is 123.1 secs Computing kpt #: 42 total cpu time spent up to now is 125.0 secs Computing kpt #: 43 total cpu time spent up to now is 126.9 secs Computing kpt #: 44 total cpu time spent up to now is 128.8 secs Computing kpt #: 45 total cpu time spent up to now is 130.7 secs Computing kpt #: 46 total cpu time spent up to now is 132.5 secs Computing kpt #: 47 total cpu time spent up to now is 134.4 secs Computing kpt #: 48 total cpu time spent up to now is 136.6 secs Computing kpt #: 49 total cpu time spent up to now is 138.7 secs Computing kpt #: 50 total cpu time spent up to now is 141.0 secs Computing kpt #: 51 total cpu time spent up to now is 143.2 secs Computing kpt #: 52 total cpu time spent up to now is 145.3 secs Computing kpt #: 53 total cpu time spent up to now is 147.5 secs Computing kpt #: 54 total cpu time spent up to now is 149.6 secs Computing kpt #: 55 total cpu time spent up to now is 151.9 secs Computing kpt #: 56 total cpu time spent up to now is 154.0 secs Computing kpt #: 57 total cpu time spent up to now is 156.3 secs Computing kpt #: 58 total cpu time spent up to now is 158.2 secs Computing kpt #: 59 total cpu time spent up to now is 160.2 secs Computing kpt #: 60 total cpu time spent up to now is 162.2 secs Computing kpt #: 61 total cpu time spent up to now is 164.1 secs Computing kpt #: 62 total cpu time spent up to now is 166.3 secs Computing kpt #: 63 total cpu time spent up to now is 168.3 secs Computing kpt #: 64 total cpu time spent up to now is 170.2 secs Computing kpt #: 65 total cpu time spent up to now is 172.8 secs Computing kpt #: 66 total cpu time spent up to now is 175.2 secs Computing kpt #: 67 total cpu time spent up to now is 177.8 secs Computing kpt #: 68 total cpu time spent up to now is 180.8 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.4 secs Computing kpt #: 70 total cpu time spent up to now is 187.4 secs Computing kpt #: 71 total cpu time spent up to now is 190.4 secs Computing kpt #: 72 total cpu time spent up to now is 192.7 secs Computing kpt #: 73 total cpu time spent up to now is 195.0 secs Computing kpt #: 74 total cpu time spent up to now is 198.1 secs Computing kpt #: 75 total cpu time spent up to now is 200.5 secs Computing kpt #: 76 total cpu time spent up to now is 202.8 secs Computing kpt #: 77 total cpu time spent up to now is 204.9 secs Computing kpt #: 78 total cpu time spent up to now is 206.9 secs Computing kpt #: 79 total cpu time spent up to now is 208.8 secs Computing kpt #: 80 total cpu time spent up to now is 210.8 secs Computing kpt #: 81 total cpu time spent up to now is 212.7 secs Computing kpt #: 82 total cpu time spent up to now is 214.8 secs Computing kpt #: 83 total cpu time spent up to now is 216.7 secs Computing kpt #: 84 total cpu time spent up to now is 218.5 secs Computing kpt #: 85 total cpu time spent up to now is 220.2 secs Computing kpt #: 86 total cpu time spent up to now is 222.0 secs Computing kpt #: 87 total cpu time spent up to now is 223.7 secs Computing kpt #: 88 total cpu time spent up to now is 225.5 secs Computing kpt #: 89 total cpu time spent up to now is 227.3 secs Computing kpt #: 90 total cpu time spent up to now is 229.0 secs Computing kpt #: 91 total cpu time spent up to now is 230.9 secs Computing kpt #: 92 total cpu time spent up to now is 232.7 secs Computing kpt #: 93 total cpu time spent up to now is 234.5 secs Computing kpt #: 94 total cpu time spent up to now is 236.4 secs Computing kpt #: 95 total cpu time spent up to now is 238.2 secs Computing kpt #: 96 total cpu time spent up to now is 240.3 secs Computing kpt #: 97 total cpu time spent up to now is 242.2 secs Computing kpt #: 98 total cpu time spent up to now is 244.2 secs Computing kpt #: 99 total cpu time spent up to now is 246.1 secs Computing kpt #: 100 total cpu time spent up to now is 248.0 secs Computing kpt #: 101 total cpu time spent up to now is 250.0 secs Computing kpt #: 102 total cpu time spent up to now is 252.1 secs Computing kpt #: 103 total cpu time spent up to now is 254.1 secs Computing kpt #: 104 total cpu time spent up to now is 256.1 secs Computing kpt #: 105 total cpu time spent up to now is 258.2 secs Computing kpt #: 106 total cpu time spent up to now is 260.2 secs Computing kpt #: 107 total cpu time spent up to now is 262.2 secs Computing kpt #: 108 total cpu time spent up to now is 264.3 secs Computing kpt #: 109 total cpu time spent up to now is 266.2 secs Computing kpt #: 110 total cpu time spent up to now is 268.3 secs Computing kpt #: 111 total cpu time spent up to now is 270.3 secs Computing kpt #: 112 total cpu time spent up to now is 272.2 secs Computing kpt #: 113 total cpu time spent up to now is 274.4 secs Computing kpt #: 114 total cpu time spent up to now is 276.4 secs Computing kpt #: 115 total cpu time spent up to now is 278.5 secs Computing kpt #: 116 total cpu time spent up to now is 280.4 secs Computing kpt #: 117 total cpu time spent up to now is 282.3 secs Computing kpt #: 118 total cpu time spent up to now is 284.2 secs Computing kpt #: 119 total cpu time spent up to now is 286.0 secs Computing kpt #: 120 total cpu time spent up to now is 287.9 secs Computing kpt #: 121 total cpu time spent up to now is 289.9 secs Computing kpt #: 122 total cpu time spent up to now is 291.8 secs Computing kpt #: 123 total cpu time spent up to now is 293.7 secs Computing kpt #: 124 total cpu time spent up to now is 295.5 secs Computing kpt #: 125 total cpu time spent up to now is 297.5 secs Computing kpt #: 126 total cpu time spent up to now is 299.4 secs Computing kpt #: 127 total cpu time spent up to now is 301.3 secs Computing kpt #: 128 total cpu time spent up to now is 303.3 secs Computing kpt #: 129 total cpu time spent up to now is 305.3 secs Computing kpt #: 130 total cpu time spent up to now is 307.5 secs Computing kpt #: 131 total cpu time spent up to now is 309.7 secs Computing kpt #: 132 total cpu time spent up to now is 311.9 secs Computing kpt #: 133 total cpu time spent up to now is 313.8 secs Computing kpt #: 134 total cpu time spent up to now is 315.8 secs Computing kpt #: 135 total cpu time spent up to now is 317.8 secs Computing kpt #: 136 total cpu time spent up to now is 319.7 secs Computing kpt #: 137 total cpu time spent up to now is 321.8 secs Computing kpt #: 138 total cpu time spent up to now is 323.6 secs Computing kpt #: 139 total cpu time spent up to now is 325.4 secs Computing kpt #: 140 total cpu time spent up to now is 327.2 secs Computing kpt #: 141 total cpu time spent up to now is 329.1 secs Computing kpt #: 142 total cpu time spent up to now is 331.0 secs Computing kpt #: 143 total cpu time spent up to now is 332.8 secs Computing kpt #: 144 total cpu time spent up to now is 334.8 secs Computing kpt #: 145 total cpu time spent up to now is 336.7 secs Computing kpt #: 146 total cpu time spent up to now is 338.9 secs Computing kpt #: 147 total cpu time spent up to now is 341.3 secs Computing kpt #: 148 total cpu time spent up to now is 343.4 secs Computing kpt #: 149 total cpu time spent up to now is 346.1 secs Computing kpt #: 150 total cpu time spent up to now is 348.9 secs Computing kpt #: 151 total cpu time spent up to now is 351.3 secs Computing kpt #: 152 total cpu time spent up to now is 353.7 secs Computing kpt #: 153 total cpu time spent up to now is 355.8 secs Computing kpt #: 154 total cpu time spent up to now is 358.0 secs Computing kpt #: 155 total cpu time spent up to now is 360.8 secs Computing kpt #: 156 total cpu time spent up to now is 364.1 secs Computing kpt #: 157 total cpu time spent up to now is 367.5 secs Computing kpt #: 158 total cpu time spent up to now is 369.9 secs Computing kpt #: 159 total cpu time spent up to now is 372.1 secs Computing kpt #: 160 total cpu time spent up to now is 374.3 secs Computing kpt #: 161 total cpu time spent up to now is 376.5 secs Computing kpt #: 162 total cpu time spent up to now is 378.6 secs Computing kpt #: 163 total cpu time spent up to now is 380.8 secs Computing kpt #: 164 total cpu time spent up to now is 382.9 secs Computing kpt #: 165 total cpu time spent up to now is 384.9 secs Computing kpt #: 166 total cpu time spent up to now is 387.0 secs Computing kpt #: 167 total cpu time spent up to now is 389.2 secs Computing kpt #: 168 total cpu time spent up to now is 391.2 secs Computing kpt #: 169 total cpu time spent up to now is 393.3 secs Computing kpt #: 170 total cpu time spent up to now is 395.5 secs Computing kpt #: 171 total cpu time spent up to now is 397.4 secs Computing kpt #: 172 total cpu time spent up to now is 399.4 secs Computing kpt #: 173 total cpu time spent up to now is 401.2 secs Computing kpt #: 174 total cpu time spent up to now is 402.9 secs Computing kpt #: 175 total cpu time spent up to now is 404.7 secs Computing kpt #: 176 total cpu time spent up to now is 406.5 secs Computing kpt #: 177 total cpu time spent up to now is 408.0 secs Computing kpt #: 178 total cpu time spent up to now is 409.6 secs Computing kpt #: 179 total cpu time spent up to now is 411.3 secs Computing kpt #: 180 total cpu time spent up to now is 412.8 secs Computing kpt #: 181 total cpu time spent up to now is 414.2 secs Computing kpt #: 182 total cpu time spent up to now is 415.6 secs Computing kpt #: 183 total cpu time spent up to now is 417.1 secs Computing kpt #: 184 total cpu time spent up to now is 418.6 secs Computing kpt #: 185 total cpu time spent up to now is 420.0 secs Computing kpt #: 186 total cpu time spent up to now is 421.3 secs Computing kpt #: 187 total cpu time spent up to now is 422.7 secs Computing kpt #: 188 total cpu time spent up to now is 424.1 secs Computing kpt #: 189 total cpu time spent up to now is 425.5 secs Computing kpt #: 190 total cpu time spent up to now is 426.9 secs Computing kpt #: 191 total cpu time spent up to now is 428.2 secs Computing kpt #: 192 total cpu time spent up to now is 429.6 secs Computing kpt #: 193 total cpu time spent up to now is 431.0 secs Computing kpt #: 194 total cpu time spent up to now is 432.4 secs Computing kpt #: 195 total cpu time spent up to now is 433.6 secs Computing kpt #: 196 total cpu time spent up to now is 435.0 secs Computing kpt #: 197 total cpu time spent up to now is 436.4 secs Computing kpt #: 198 total cpu time spent up to now is 437.7 secs Computing kpt #: 199 total cpu time spent up to now is 439.0 secs Computing kpt #: 200 total cpu time spent up to now is 440.3 secs Computing kpt #: 201 total cpu time spent up to now is 441.8 secs Computing kpt #: 202 total cpu time spent up to now is 443.1 secs Computing kpt #: 203 total cpu time spent up to now is 444.4 secs Computing kpt #: 204 total cpu time spent up to now is 445.7 secs Computing kpt #: 205 total cpu time spent up to now is 447.2 secs Computing kpt #: 206 total cpu time spent up to now is 448.6 secs Computing kpt #: 207 total cpu time spent up to now is 450.0 secs Computing kpt #: 208 total cpu time spent up to now is 451.6 secs Computing kpt #: 209 total cpu time spent up to now is 453.5 secs Computing kpt #: 210 total cpu time spent up to now is 455.4 secs Computing kpt #: 211 total cpu time spent up to now is 457.3 secs Computing kpt #: 212 total cpu time spent up to now is 459.1 secs Computing kpt #: 213 total cpu time spent up to now is 461.0 secs Computing kpt #: 214 total cpu time spent up to now is 462.8 secs Computing kpt #: 215 total cpu time spent up to now is 464.6 secs Computing kpt #: 216 total cpu time spent up to now is 466.5 secs Computing kpt #: 217 total cpu time spent up to now is 468.2 secs Computing kpt #: 218 total cpu time spent up to now is 469.9 secs Computing kpt #: 219 total cpu time spent up to now is 471.5 secs Computing kpt #: 220 total cpu time spent up to now is 473.2 secs Computing kpt #: 221 total cpu time spent up to now is 474.8 secs Computing kpt #: 222 total cpu time spent up to now is 476.4 secs Computing kpt #: 223 total cpu time spent up to now is 478.0 secs Computing kpt #: 224 total cpu time spent up to now is 479.8 secs Computing kpt #: 225 total cpu time spent up to now is 481.6 secs Computing kpt #: 226 total cpu time spent up to now is 483.3 secs Computing kpt #: 227 total cpu time spent up to now is 485.0 secs Computing kpt #: 228 total cpu time spent up to now is 486.7 secs Computing kpt #: 229 total cpu time spent up to now is 488.6 secs Computing kpt #: 230 total cpu time spent up to now is 490.4 secs Computing kpt #: 231 total cpu time spent up to now is 492.2 secs Computing kpt #: 232 total cpu time spent up to now is 493.9 secs Computing kpt #: 233 total cpu time spent up to now is 495.9 secs Computing kpt #: 234 total cpu time spent up to now is 497.9 secs Computing kpt #: 235 total cpu time spent up to now is 499.8 secs Computing kpt #: 236 total cpu time spent up to now is 501.7 secs Computing kpt #: 237 total cpu time spent up to now is 503.9 secs Computing kpt #: 238 total cpu time spent up to now is 505.8 secs Computing kpt #: 239 total cpu time spent up to now is 507.8 secs Computing kpt #: 240 total cpu time spent up to now is 509.7 secs Computing kpt #: 241 total cpu time spent up to now is 511.6 secs Computing kpt #: 242 total cpu time spent up to now is 513.8 secs Computing kpt #: 243 total cpu time spent up to now is 515.7 secs Computing kpt #: 244 total cpu time spent up to now is 517.7 secs Computing kpt #: 245 total cpu time spent up to now is 519.5 secs Computing kpt #: 246 total cpu time spent up to now is 521.6 secs Computing kpt #: 247 total cpu time spent up to now is 523.9 secs Computing kpt #: 248 total cpu time spent up to now is 525.9 secs Computing kpt #: 249 total cpu time spent up to now is 527.8 secs Computing kpt #: 250 total cpu time spent up to now is 529.6 secs Computing kpt #: 251 total cpu time spent up to now is 531.8 secs Computing kpt #: 252 total cpu time spent up to now is 533.7 secs Computing kpt #: 253 total cpu time spent up to now is 535.6 secs Computing kpt #: 254 total cpu time spent up to now is 537.4 secs Computing kpt #: 255 total cpu time spent up to now is 539.4 secs Computing kpt #: 256 total cpu time spent up to now is 541.6 secs Computing kpt #: 257 total cpu time spent up to now is 543.7 secs Computing kpt #: 258 total cpu time spent up to now is 545.9 secs Computing kpt #: 259 total cpu time spent up to now is 548.0 secs Computing kpt #: 260 total cpu time spent up to now is 550.7 secs Computing kpt #: 261 total cpu time spent up to now is 552.6 secs Computing kpt #: 262 total cpu time spent up to now is 554.6 secs Computing kpt #: 263 total cpu time spent up to now is 556.6 secs Computing kpt #: 264 total cpu time spent up to now is 558.8 secs Computing kpt #: 265 total cpu time spent up to now is 560.8 secs Computing kpt #: 266 total cpu time spent up to now is 563.0 secs Computing kpt #: 267 total cpu time spent up to now is 565.1 secs Computing kpt #: 268 total cpu time spent up to now is 567.4 secs Computing kpt #: 269 total cpu time spent up to now is 569.8 secs Computing kpt #: 270 total cpu time spent up to now is 572.0 secs Computing kpt #: 271 total cpu time spent up to now is 574.4 secs Computing kpt #: 272 total cpu time spent up to now is 576.8 secs Computing kpt #: 273 total cpu time spent up to now is 579.6 secs Computing kpt #: 274 total cpu time spent up to now is 580.9 secs Computing kpt #: 275 total cpu time spent up to now is 582.2 secs Computing kpt #: 276 total cpu time spent up to now is 583.5 secs Computing kpt #: 277 total cpu time spent up to now is 584.9 secs Computing kpt #: 278 total cpu time spent up to now is 586.2 secs Computing kpt #: 279 total cpu time spent up to now is 587.5 secs Computing kpt #: 280 total cpu time spent up to now is 588.8 secs Computing kpt #: 281 total cpu time spent up to now is 590.2 secs Computing kpt #: 282 total cpu time spent up to now is 591.8 secs Computing kpt #: 283 total cpu time spent up to now is 593.2 secs Computing kpt #: 284 total cpu time spent up to now is 594.8 secs Computing kpt #: 285 total cpu time spent up to now is 596.5 secs Computing kpt #: 286 total cpu time spent up to now is 598.4 secs Computing kpt #: 287 total cpu time spent up to now is 600.1 secs Computing kpt #: 288 total cpu time spent up to now is 601.8 secs Computing kpt #: 289 total cpu time spent up to now is 603.5 secs Computing kpt #: 290 total cpu time spent up to now is 605.2 secs Computing kpt #: 291 total cpu time spent up to now is 606.8 secs Computing kpt #: 292 total cpu time spent up to now is 608.5 secs Computing kpt #: 293 total cpu time spent up to now is 610.2 secs Computing kpt #: 294 total cpu time spent up to now is 611.9 secs Computing kpt #: 295 total cpu time spent up to now is 613.7 secs Computing kpt #: 296 total cpu time spent up to now is 615.6 secs Computing kpt #: 297 total cpu time spent up to now is 617.5 secs Computing kpt #: 298 total cpu time spent up to now is 619.3 secs Computing kpt #: 299 total cpu time spent up to now is 621.5 secs Computing kpt #: 300 total cpu time spent up to now is 623.7 secs Computing kpt #: 301 total cpu time spent up to now is 625.8 secs Computing kpt #: 302 total cpu time spent up to now is 628.5 secs Computing kpt #: 303 total cpu time spent up to now is 630.9 secs Computing kpt #: 304 total cpu time spent up to now is 633.2 secs Computing kpt #: 305 total cpu time spent up to now is 635.6 secs Computing kpt #: 306 total cpu time spent up to now is 637.9 secs Computing kpt #: 307 total cpu time spent up to now is 640.2 secs Computing kpt #: 308 total cpu time spent up to now is 643.2 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 646.6 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 650.0 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 653.4 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 656.9 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 661.1 secs Computing kpt #: 314 total cpu time spent up to now is 665.4 secs Computing kpt #: 315 total cpu time spent up to now is 667.9 secs Computing kpt #: 316 total cpu time spent up to now is 670.3 secs Computing kpt #: 317 total cpu time spent up to now is 672.1 secs Computing kpt #: 318 total cpu time spent up to now is 673.9 secs Computing kpt #: 319 total cpu time spent up to now is 675.7 secs Computing kpt #: 320 total cpu time spent up to now is 677.4 secs Computing kpt #: 321 total cpu time spent up to now is 679.0 secs Computing kpt #: 322 total cpu time spent up to now is 680.9 secs Computing kpt #: 323 total cpu time spent up to now is 682.6 secs ethr = 4.17E-11, avg # of iterations = 32.7 total cpu time spent up to now is 682.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6500 -5.0472 -5.0472 -3.5622 -3.5622 0.5623 0.5623 4.7849 4.7849 5.1323 5.1323 5.8563 5.8563 6.5095 6.5095 6.7454 6.7454 7.6657 7.6657 7.6901 7.6901 7.9196 7.9196 8.6024 8.6024 k = 0.0114 0.0066-0.0000 ( 11981 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6500 -5.0461 -5.0461 -3.5613 -3.5612 0.5625 0.5641 4.7722 4.7797 5.1202 5.1204 5.8520 5.8568 6.5030 6.5032 6.7373 6.7458 7.6690 7.6691 7.6930 7.6941 7.9263 7.9317 8.6033 8.6040 k = 0.0227 0.0131-0.0000 ( 11973 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6500 -5.0428 -5.0428 -3.5585 -3.5583 0.5646 0.5679 4.7413 4.7565 5.0856 5.0867 5.8435 5.8520 6.4833 6.4849 6.7231 6.7371 7.6778 7.6789 7.7026 7.7048 7.9526 7.9631 8.6066 8.6080 k = 0.0341 0.0197-0.0000 ( 11962 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -5.0373 -5.0373 -3.5538 -3.5536 0.5687 0.5736 4.6918 4.7149 5.0327 5.0359 5.8289 5.8393 6.4509 6.4552 6.7040 6.7192 7.6885 7.6926 7.7201 7.7222 7.9999 8.0146 8.6124 8.6145 k = 0.0455 0.0262-0.0000 ( 11974 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -5.0296 -5.0296 -3.5472 -3.5469 0.5747 0.5814 4.6235 4.6544 4.9675 4.9736 5.8057 5.8155 6.4075 6.4149 6.6805 6.6927 7.6971 7.7062 7.7474 7.7481 8.0682 8.0856 8.6207 8.6235 k = 0.0568 0.0328-0.0000 ( 11980 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -5.0198 -5.0197 -3.5388 -3.5384 0.5827 0.5911 4.5368 4.5746 4.8960 4.9048 5.7710 5.7777 6.3563 6.3652 6.6526 6.6592 7.7029 7.7170 7.7838 7.7847 8.1551 8.1731 8.6315 8.6351 k = 0.0682 0.0394-0.0000 ( 11976 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -5.0077 -5.0077 -3.5285 -3.5281 0.5925 0.6028 4.4335 4.4766 4.8224 4.8329 5.7225 5.7236 6.3009 6.3086 6.6201 6.6202 7.7067 7.7251 7.8290 7.8312 8.2560 8.2727 8.6453 8.6498 k = 0.0795 0.0459-0.0000 ( 11986 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -4.9935 -4.9935 -3.5165 -3.5160 0.6042 0.6165 4.3161 4.3632 4.7485 4.7597 5.6519 5.6584 6.2443 6.2479 6.5766 6.5828 7.7091 7.7313 7.8827 7.8860 8.3651 8.3782 8.6628 8.6689 k = 0.0909 0.0525-0.0000 ( 11988 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -4.9772 -4.9771 -3.5027 -3.5022 0.6177 0.6321 4.1877 4.2376 4.6749 4.6858 5.5632 5.5782 6.1855 6.1882 6.5291 6.5408 7.7105 7.7360 7.9440 7.9483 8.4744 8.4814 8.6866 8.6955 k = 0.1023 0.0590-0.0000 ( 11996 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -4.9586 -4.9586 -3.4872 -3.4866 0.6330 0.6496 4.0511 4.1033 4.6014 4.6114 5.4593 5.4824 6.1233 6.1333 6.4779 6.4941 7.7111 7.7394 8.0118 8.0169 8.5693 8.5709 8.7241 8.7369 k = 0.1136 0.0656-0.0000 ( 11988 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -4.9380 -4.9379 -3.4700 -3.4693 0.6501 0.6691 3.9087 3.9628 4.5279 4.5366 5.3426 5.3729 6.0619 6.0791 6.4233 6.4432 7.7109 7.7415 8.0848 8.0907 8.6297 8.6376 8.7859 8.7988 k = 0.1250 0.0722-0.0000 ( 11980 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -4.9153 -4.9152 -3.4512 -3.4505 0.6688 0.6904 3.7624 3.8184 4.4544 4.4616 5.2159 5.2518 6.0011 6.0250 6.3655 6.3882 7.7099 7.7423 8.1617 8.1681 8.6676 8.6774 8.8615 8.8686 k = 0.1364 0.0787-0.0000 ( 11982 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6499 -40.6499 -4.8905 -4.8904 -3.4308 -3.4301 0.6892 0.7136 3.6137 3.6717 4.3808 4.3865 5.0815 5.1217 5.9406 5.9706 6.3047 6.3294 7.7078 7.7415 8.2409 8.2478 8.6956 8.7062 8.9272 8.9273 k = 0.1477 0.0853-0.0000 ( 11980 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6499 -40.6499 -4.8636 -4.8635 -3.4090 -3.4083 0.7111 0.7387 3.4638 3.5241 4.3074 4.3112 4.9416 4.9846 5.8800 5.9155 6.2414 6.2673 7.7046 7.7390 8.3210 8.3282 8.7200 8.7318 8.9644 8.9705 k = 0.1591 0.0919-0.0000 ( 11984 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6499 -40.6499 -4.8347 -4.8346 -3.3859 -3.3851 0.7344 0.7655 3.3138 3.3766 4.2343 4.2360 4.7981 4.8426 5.8188 5.8593 6.1758 6.2022 7.6998 7.7345 8.4004 8.4075 8.7430 8.7568 8.9792 8.9888 k = 0.1705 0.0984-0.0000 ( 11980 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6499 -40.6499 -4.8039 -4.8038 -3.3614 -3.3606 0.7590 0.7940 3.1644 3.2302 4.1604 4.1614 4.6526 4.6974 5.7568 5.8021 6.1083 6.1345 7.6934 7.7278 8.4775 8.4841 8.7657 8.7822 8.9760 8.9863 k = 0.1818 0.1050-0.0000 ( 11994 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6499 -40.6499 -4.7711 -4.7710 -3.3358 -3.3350 0.7847 0.8242 3.0164 3.0855 4.0843 4.0887 4.5068 4.5504 5.6937 5.7436 6.0395 6.0645 7.6849 7.7188 8.5507 8.5561 8.7880 8.8079 8.9610 8.9694 k = 0.1932 0.1115-0.0000 ( 11994 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6498 -40.6498 -4.7364 -4.7363 -3.3092 -3.3084 0.8114 0.8560 2.8704 2.9435 4.0064 4.0157 4.3627 4.4032 5.6294 5.6840 5.9697 5.9929 7.6744 7.7073 8.6187 8.6216 8.8083 8.8323 8.9416 8.9457 k = 0.2045 0.1181-0.0000 ( 11992 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6498 -40.6498 -4.6999 -4.6998 -3.2816 -3.2808 0.8387 0.8892 2.7269 2.8047 3.9248 3.9416 4.2233 4.2579 5.5636 5.6229 5.8996 5.9203 7.6616 7.6933 8.6780 8.6801 8.8214 8.8472 8.9274 8.9279 k = 0.2159 0.1247-0.0000 ( 11992 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6498 -40.6498 -4.6616 -4.6615 -3.2534 -3.2525 0.8665 0.9237 2.5867 2.6700 3.8358 3.8639 4.0930 4.1176 5.4961 5.5603 5.8298 5.8471 7.6466 7.6769 8.7207 8.7342 8.8214 8.8343 8.9324 8.9356 k = 0.2273 0.1312-0.0000 ( 11992 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6520 -40.6520 -40.6498 -40.6498 -4.6215 -4.6214 -3.2245 -3.2237 0.8943 0.9593 2.4502 2.5400 3.7345 3.7779 3.9773 3.9877 5.4267 5.4959 5.7608 5.7744 7.6294 7.6582 8.7369 8.7803 8.8010 8.8220 8.9551 8.9648 k = 0.2386 0.1378-0.0000 ( 11992 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6498 -40.6498 -4.5798 -4.5797 -3.1952 -3.1945 0.9215 0.9957 2.3180 2.4156 3.6182 3.6766 3.8760 3.8795 5.3552 5.4291 5.6934 5.7029 7.6103 7.6374 8.7200 8.7613 8.8183 8.8395 8.9876 9.0020 k = 0.2500 0.1443-0.0000 ( 11984 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6498 -40.6498 -4.5365 -4.5364 -3.1658 -3.1650 0.9475 1.0326 2.1911 2.2979 3.4898 3.5572 3.7856 3.7972 5.2815 5.3597 5.6280 5.6336 7.5893 7.6148 8.6879 8.7196 8.8486 8.8615 9.0252 9.0438 k = 0.2614 0.1509-0.0000 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6498 -40.6498 -4.4917 -4.4916 -3.1364 -3.1357 0.9714 1.0693 2.0701 2.1880 3.3542 3.4257 3.7112 3.7258 5.2055 5.2873 5.5651 5.5671 7.5669 7.5908 8.6512 8.6775 8.8713 8.8802 9.0664 9.0892 k = 0.2727 0.1575-0.0000 ( 11990 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6497 -40.6497 -4.4455 -4.4454 -3.1073 -3.1067 0.9920 1.1050 1.9564 2.0873 3.2156 3.2889 3.6464 3.6617 5.1274 5.2117 5.5042 5.5051 7.5434 7.5656 8.6132 8.6358 8.8872 8.8938 9.1108 9.1380 k = 0.2841 0.1640-0.0000 ( 11996 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6497 -40.6497 -4.3980 -4.3980 -3.0788 -3.0782 1.0080 1.1380 1.8518 1.9974 3.0763 3.1507 3.5878 3.6029 5.0473 5.1332 5.4451 5.4481 7.5191 7.5398 8.5751 8.5949 8.8969 8.9022 9.1585 9.1901 k = 0.2955 0.1706-0.0000 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6497 -40.6497 -4.3494 -4.3494 -3.0511 -3.0506 1.0177 1.1660 1.7591 1.9203 2.9377 3.0133 3.5337 3.5483 4.9658 5.0521 5.3899 5.3943 7.4943 7.5135 8.5378 8.5553 8.9014 8.9058 9.2095 9.2454 k = 0.3068 0.1771-0.0000 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6497 -40.6497 -4.2998 -4.2998 -3.0246 -3.0241 1.0194 1.1848 1.6827 1.8575 2.8007 2.8778 3.4832 3.4973 4.8831 4.9690 5.3385 5.3437 7.4694 7.4873 8.5015 8.5172 8.9014 8.9052 9.2639 9.3039 k = 0.3182 0.1837-0.0000 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6497 -40.6497 -4.2494 -4.2494 -2.9995 -2.9991 1.0122 1.1887 1.6285 1.8104 2.6660 2.7453 3.4360 3.4497 4.7998 4.8846 5.2907 5.2962 7.4448 7.4613 8.4667 8.4807 8.8979 8.9012 9.3214 9.3652 k = 0.3295 0.1903-0.0000 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6497 -40.6497 -4.1983 -4.1983 -2.9762 -2.9758 0.9958 1.1730 1.6014 1.7790 2.5341 2.6164 3.3919 3.4051 4.7164 4.7995 5.2463 5.2518 7.4207 7.4358 8.4334 8.4459 8.8916 8.8945 9.3818 9.4293 k = 0.3409 0.1968-0.0000 ( 11986 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6497 -40.6497 -4.1468 -4.1468 -2.9549 -2.9546 0.9716 1.1390 1.6004 1.7617 2.4055 2.4920 3.3508 3.3636 4.6334 4.7144 5.2052 5.2105 7.3973 7.4112 8.4019 8.4131 8.8832 8.8858 9.4449 9.4959 k = 0.3523 0.2034-0.0000 ( 11996 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6497 -40.6497 -4.0951 -4.0951 -2.9360 -2.9358 0.9418 1.0938 1.6185 1.7556 2.2804 2.3735 3.3126 3.3250 4.5516 4.6300 5.1672 5.1721 7.3748 7.3875 8.3722 8.3823 8.8735 8.8758 9.5104 9.5644 k = 0.3636 0.2099-0.0000 ( 11986 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6497 -40.6497 -4.0436 -4.0436 -2.9197 -2.9196 0.9092 1.0445 1.6487 1.7563 2.1594 2.2626 3.2773 3.2894 4.4714 4.5468 5.1322 5.1367 7.3535 7.3651 8.3446 8.3536 8.8628 8.8648 9.5777 9.6345 k = 0.3750 0.2165-0.0000 ( 11986 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6496 -40.6496 -3.9925 -3.9925 -2.9063 -2.9062 0.8766 0.9963 1.6858 1.7579 2.0428 2.1628 3.2450 3.2566 4.3935 4.4656 5.1000 5.1042 7.3335 7.3440 8.3189 8.3270 8.8517 8.8535 9.6461 9.7052 k = 0.3864 0.2231-0.0000 ( 11986 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6496 -40.6496 -3.9423 -3.9422 -2.8957 -2.8957 0.8462 0.9521 1.7265 1.7520 1.9310 2.0807 3.2156 3.2267 4.3186 4.3869 5.0708 5.0745 7.3150 7.3244 8.2954 8.3025 8.8405 8.8421 9.7147 9.7751 k = 0.3977 0.2296-0.0000 ( 11994 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6496 -40.6496 -3.8933 -3.8933 -2.8883 -2.8883 0.8196 0.9135 1.7274 1.7688 1.8249 2.0257 3.1891 3.1998 4.2474 4.3115 5.0444 5.0477 7.2979 7.3063 8.2740 8.2803 8.8296 8.8310 9.7816 9.8415 k = 0.4091 0.2362-0.0000 ( 11994 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6496 -40.6496 -3.8462 -3.8462 -2.8837 -2.8837 0.7982 0.8816 1.6786 1.7236 1.8125 2.0020 3.1656 3.1757 4.1806 4.2399 5.0208 5.0237 7.2825 7.2900 8.2549 8.2604 8.8193 8.8204 9.8440 9.8991 k = 0.4205 0.2427-0.0000 ( 12000 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6496 -40.6496 -3.8016 -3.8016 -2.8819 -2.8819 0.7826 0.8567 1.6133 1.6298 1.8544 2.0010 3.1451 3.1544 4.1190 4.1732 5.0001 5.0025 7.2689 7.2753 8.2379 8.2427 8.8097 8.8107 9.8976 9.9421 k = 0.4318 0.2493-0.0000 ( 12000 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6496 -40.6496 -3.7602 -3.7601 -2.8825 -2.8824 0.7732 0.8385 1.5425 1.5434 1.8946 2.0112 3.1275 3.1360 4.0637 4.1119 4.9821 4.9841 7.2570 7.2625 8.2233 8.2272 8.8011 8.8019 9.9387 9.9703 k = 0.4432 0.2559-0.0000 ( 11996 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.7228 -3.7227 -2.8848 -2.8848 0.7699 0.8267 1.4655 1.4732 1.9321 2.0251 3.1129 3.1204 4.0154 4.0571 4.9669 4.9686 7.2469 7.2515 8.2109 8.2141 8.7935 8.7942 9.9675 9.9887 k = 0.4545 0.2624-0.0000 ( 12000 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6902 -3.6902 -2.8884 -2.8883 0.7721 0.8200 1.3977 1.4095 1.9660 2.0386 3.1013 3.1075 3.9752 4.0096 4.9545 4.9558 7.2387 7.2423 8.2007 8.2033 8.7872 8.7877 9.9871 10.0013 k = 0.4659 0.2690-0.0000 ( 12000 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6635 -3.6635 -2.8924 -2.8923 0.7786 0.8168 1.3420 1.3546 1.9954 2.0492 3.0925 3.0974 3.9439 3.9704 4.9449 4.9458 7.2324 7.2351 8.1929 8.1949 8.7822 8.7826 10.0007 10.0099 k = 0.4773 0.2756-0.0000 ( 12010 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6436 -3.6436 -2.8960 -2.8959 0.7880 0.8149 1.3006 1.3111 2.0196 2.0552 3.0866 3.0899 3.9222 3.9403 4.9380 4.9387 7.2280 7.2298 8.1874 8.1887 8.7787 8.7789 10.0098 10.0154 k = 0.4886 0.2821-0.0000 ( 12012 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6313 -3.6313 -2.8984 -2.8984 0.7980 0.8120 1.2759 1.2820 2.0380 2.0557 3.0834 3.0851 3.9108 3.9200 4.9340 4.9343 7.2255 7.2264 8.1842 8.1849 8.7765 8.7766 10.0155 10.0182 k = 0.5000 0.2887-0.0000 ( 12006 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6271 -3.6271 -2.8993 -2.8993 0.8065 0.8065 1.2697 1.2697 2.0501 2.0501 3.0829 3.0829 3.9101 3.9101 4.9328 4.9328 7.2250 7.2250 8.1834 8.1834 8.7758 8.7758 10.0182 10.0182 k = 0.5000 0.2887-0.0000 ( 12006 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6271 -3.6271 -2.8993 -2.8993 0.8065 0.8065 1.2697 1.2697 2.0501 2.0501 3.0829 3.0829 3.9101 3.9101 4.9328 4.9328 7.2250 7.2250 8.1834 8.1834 8.7758 8.7758 10.0182 10.0182 k = 0.4936 0.2998-0.0000 ( 12020 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6262 -3.6262 -2.8993 -2.8993 0.8074 0.8076 1.2705 1.2710 2.0475 2.0545 3.0712 3.0824 3.9080 3.9090 4.9201 4.9231 7.2330 7.2372 8.1933 8.1995 8.7623 8.7752 10.0179 10.0384 k = 0.4872 0.3109-0.0000 ( 12006 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6234 -3.6234 -2.8992 -2.8992 0.8104 0.8109 1.2735 1.2745 2.0468 2.0609 3.0473 3.0699 3.9027 3.9046 4.8858 4.8915 7.2612 7.2695 8.2285 8.2403 8.7362 8.7610 10.0373 10.0768 k = 0.4808 0.3220-0.0000 ( 11994 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6188 -3.6188 -2.8990 -2.8990 0.8156 0.8164 1.2786 1.2802 2.0476 2.0694 3.0121 3.0463 3.8942 3.8968 4.8318 4.8395 7.3090 7.3211 8.2860 8.3019 8.7016 8.7373 10.0745 10.1308 k = 0.4744 0.3331-0.0000 ( 11992 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6123 -3.6123 -2.8988 -2.8988 0.8229 0.8239 1.2858 1.2879 2.0498 2.0800 2.9664 3.0126 3.8826 3.8856 4.7606 4.7695 7.3754 7.3911 8.3584 8.3757 8.6664 8.7125 10.1269 10.1969 k = 0.4679 0.3442-0.0000 ( 12000 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6041 -3.6040 -2.8987 -2.8987 0.8322 0.8335 1.2951 1.2978 2.0529 2.0925 2.9115 2.9706 3.8677 3.8707 4.6753 4.6841 7.4592 7.4781 8.4247 8.4404 8.6518 8.7085 10.1913 10.2713 k = 0.4615 0.3553-0.0000 ( 11994 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.5940 -3.5939 -2.8986 -2.8986 0.8437 0.8453 1.3063 1.3098 2.0566 2.1071 2.8489 2.9220 3.8497 3.8519 4.5789 4.5864 7.5591 7.5809 8.4403 8.4590 8.7017 8.7619 10.2648 10.3483 k = 0.4551 0.3664-0.0000 ( 11998 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.5821 -3.5820 -2.8987 -2.8987 0.8573 0.8591 1.3195 1.3238 2.0602 2.1235 2.7803 2.8690 3.8283 3.8288 4.4743 4.4789 7.6736 7.6979 8.4064 8.4309 8.8142 8.8730 10.3449 10.4134 k = 0.4487 0.3775-0.0000 ( 12006 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.5685 -3.5684 -2.8990 -2.8990 0.8729 0.8749 1.3346 1.3397 2.0627 2.1414 2.7073 2.8140 3.8009 3.8035 4.3642 4.3645 7.8013 7.8278 8.3547 8.3822 8.9564 9.0146 10.4297 10.4532 k = 0.4423 0.3886-0.0000 ( 12002 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.5532 -3.5531 -2.8998 -2.8997 0.8907 0.8929 1.3514 1.3576 2.0629 2.1603 2.6319 2.7597 3.7672 3.7751 4.2447 4.2523 7.9408 7.9693 8.2978 8.3263 9.1148 9.1729 10.4821 10.5145 k = 0.4359 0.3997-0.0000 ( 12014 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.5362 -3.5362 -2.9009 -2.9009 0.9104 0.9128 1.3698 1.3773 2.0592 2.1789 2.5567 2.7089 3.7262 3.7426 4.1225 4.1409 8.0907 8.1209 8.2400 8.2683 9.2837 9.3412 10.5100 10.5453 k = 0.4295 0.4108-0.0000 ( 12000 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.5177 -3.5176 -2.9027 -2.9027 0.9322 0.9348 1.3897 1.3987 2.0500 2.1943 2.4857 2.6647 3.6757 3.7049 4.0002 4.0342 8.1830 8.2084 8.2520 8.2818 9.4600 9.5157 10.5397 10.5814 k = 0.4231 0.4219-0.0000 ( 11994 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.4975 -3.4974 -2.9052 -2.9052 0.9561 0.9588 1.4106 1.4215 2.0334 2.1998 2.4269 2.6300 3.6130 3.6600 3.8812 3.9361 8.1283 8.1533 8.4184 8.4505 9.6411 9.6928 10.5728 10.6241 k = 0.4167 0.4330-0.0000 ( 11990 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.4759 -3.4758 -2.9086 -2.9086 0.9819 0.9846 1.4324 1.4457 2.0085 2.1828 2.3938 2.6069 3.5361 3.6024 3.7722 3.8497 8.0762 8.0995 8.5931 8.6261 9.8239 9.8682 10.6103 10.6760 k = 0.4103 0.4441-0.0000 ( 11990 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.4529 -3.4528 -2.9130 -2.9130 1.0096 1.0124 1.4545 1.4709 1.9758 2.1381 2.3924 2.5961 3.4460 3.5239 3.6826 3.7752 8.0274 8.0486 8.7740 8.8076 10.0047 10.0365 10.6546 10.7406 k = 0.4038 0.4552-0.0000 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.4285 -3.4284 -2.9186 -2.9186 1.0392 1.0419 1.4762 1.4967 1.9369 2.0775 2.4121 2.5970 3.3466 3.4243 3.6135 3.7097 7.9821 8.0013 8.9600 8.9940 10.1777 10.1906 10.7095 10.8224 k = 0.3974 0.4663-0.0000 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.4029 -3.4028 -2.9257 -2.9256 1.0706 1.0731 1.4964 1.5225 1.8948 2.0122 2.4427 2.6081 3.2429 3.3144 3.5552 3.6495 7.9406 7.9576 9.1501 9.1842 10.3231 10.3334 10.7818 10.9235 k = 0.3910 0.4774-0.0000 ( 11968 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.3761 -3.3760 -2.9342 -2.9342 1.1036 1.1058 1.5137 1.5476 1.8528 1.9479 2.4794 2.6275 3.1388 3.2025 3.5004 3.5920 7.9031 7.9180 9.3431 9.3769 10.4308 10.4606 10.8791 11.0366 k = 0.3846 0.4885-0.0000 ( 11970 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.3484 -3.3482 -2.9445 -2.9445 1.1381 1.1397 1.5259 1.5705 1.8145 1.8879 2.5203 2.6533 3.0379 3.0931 3.4462 3.5354 7.8697 7.8825 9.5377 9.5708 10.5159 10.5546 11.0006 11.1389 k = 0.3782 0.4996-0.0000 ( 11974 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.3197 -3.3195 -2.9567 -2.9566 1.1739 1.1746 1.5302 1.5893 1.7836 1.8351 2.5644 2.6831 2.9438 2.9888 3.3914 3.4786 7.8404 7.8512 9.7322 9.7639 10.5840 10.6220 11.1321 11.2114 k = 0.3718 0.5107-0.0000 ( 11980 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.2902 -3.2900 -2.9709 -2.9709 1.2099 1.2105 1.5248 1.6010 1.7624 1.7928 2.6108 2.7109 2.8640 2.8921 3.3356 3.4213 7.8152 7.8242 9.9244 9.9537 10.6396 10.6718 11.2545 11.2547 k = 0.3654 0.5218-0.0000 ( 11976 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.2601 -3.2599 -2.9873 -2.9873 1.2447 1.2472 1.5106 1.6022 1.7502 1.7645 2.6574 2.7125 2.8067 2.8244 3.2788 3.3630 7.7942 7.8014 10.1108 10.1364 10.6852 10.7095 11.2748 11.3533 k = 0.3590 0.5329-0.0000 ( 11966 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.2295 -3.2294 -3.0061 -3.0060 1.2776 1.2827 1.4918 1.5937 1.7431 1.7494 2.6699 2.6873 2.7514 2.8449 3.2212 3.3038 7.7773 7.7828 10.2869 10.3070 10.7211 10.7366 11.2786 11.4224 k = 0.3526 0.5440-0.0000 ( 11966 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.1987 -3.1985 -3.0273 -3.0272 1.3066 1.3145 1.4738 1.5821 1.7368 1.7412 2.6224 2.6496 2.7790 2.8881 3.1635 3.2437 7.7645 7.7684 10.4454 10.4581 10.7458 10.7529 11.2744 11.4597 k = 0.3462 0.5551-0.0000 ( 11966 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.1677 -3.1676 -3.0510 -3.0509 1.3288 1.3380 1.4625 1.5752 1.7290 1.7335 2.5869 2.6054 2.8291 2.9388 3.1072 3.1830 7.7556 7.7581 10.5769 10.5814 10.7564 10.7566 11.2692 11.4754 k = 0.3397 0.5662-0.0000 ( 11952 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.1369 -3.1368 -3.0773 -3.0772 1.3425 1.3487 1.4612 1.5759 1.7208 1.7240 2.5672 2.5762 2.8770 2.9927 3.0572 3.1228 7.7506 7.7517 10.6695 10.6716 10.7462 10.7501 11.2675 11.4949 k = 0.3333 0.5774-0.0000 ( 11961 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.1082 -3.1080 -3.1045 -3.1045 1.3485 1.3485 1.4637 1.5790 1.7173 1.7173 2.5637 2.5637 2.9017 3.0331 3.0331 3.0790 7.7493 7.7493 10.7190 10.7223 10.7223 10.7278 11.2685 11.5111 k = 0.3333 0.5774-0.0000 ( 11961 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.1082 -3.1080 -3.1045 -3.1045 1.3485 1.3485 1.4637 1.5790 1.7173 1.7173 2.5637 2.5637 2.9017 3.0331 3.0331 3.0790 7.7493 7.7493 10.7190 10.7223 10.7223 10.7278 11.2685 11.5111 k = 0.3268 0.5660-0.0000 ( 11945 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.1386 -3.1385 -3.0758 -3.0757 1.3444 1.3503 1.4572 1.5709 1.7253 1.7266 2.5671 2.5756 2.8761 2.9873 3.0623 3.1243 7.7506 7.7517 10.6795 10.6814 10.7392 10.7417 11.2626 11.4783 k = 0.3203 0.5547-0.0000 ( 11943 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.1735 -3.1734 -3.0461 -3.0460 1.3416 1.3515 1.4355 1.5447 1.7525 1.7535 2.5833 2.6006 2.8263 2.9247 3.1199 3.1892 7.7558 7.7578 10.6228 10.6251 10.7297 10.7315 11.2335 11.4026 k = 0.3137 0.5434-0.0000 ( 11959 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.2111 -3.2109 -3.0176 -3.0175 1.3421 1.3550 1.4015 1.5061 1.7924 1.7962 2.6061 2.6360 2.7757 2.8615 3.1866 3.2580 7.7645 7.7674 10.5530 10.5599 10.6986 10.7050 11.1729 11.3032 k = 0.3072 0.5321-0.0000 ( 11961 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.2512 -3.2510 -2.9904 -2.9904 1.3424 1.3624 1.3658 1.4621 1.8421 1.8472 2.6182 2.6773 2.7440 2.8012 3.2579 3.3299 7.7766 7.7802 10.4756 10.4867 10.6549 10.6655 11.0883 11.1937 k = 0.3007 0.5207-0.0000 ( 11963 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.2936 -3.2934 -2.9650 -2.9650 1.3104 1.3653 1.3746 1.4170 1.8985 1.9033 2.5927 2.6989 2.7580 2.7685 3.3322 3.4043 7.7921 7.7963 10.3933 10.4079 10.6028 10.6167 10.9900 11.0800 k = 0.2941 0.5094-0.0000 ( 11971 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.3384 -3.3382 -2.9416 -2.9415 1.2674 1.3729 1.3821 1.3928 1.9597 1.9622 2.5433 2.6538 2.8038 2.8091 3.4092 3.4811 7.8106 7.8153 10.3080 10.3256 10.5449 10.5613 10.8848 10.9648 k = 0.2876 0.4981-0.0000 ( 11963 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.3852 -3.3850 -2.9204 -2.9204 1.2258 1.3326 1.4058 1.4160 2.0222 2.0246 2.4890 2.5937 2.8627 2.8709 3.4885 3.5601 7.8320 7.8371 10.2213 10.2413 10.4830 10.5013 10.7761 10.8495 k = 0.2810 0.4868-0.0000 ( 11967 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.4338 -3.4337 -2.9018 -2.9018 1.1875 1.2966 1.4357 1.4452 2.0797 2.0926 2.4381 2.5327 2.9289 2.9394 3.5699 3.6414 7.8561 7.8615 10.1343 10.1562 10.4182 10.4379 10.6661 10.7348 k = 0.2745 0.4755-0.0000 ( 11965 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.4842 -3.4840 -2.8860 -2.8859 1.1538 1.2660 1.4716 1.4800 2.1277 2.1628 2.3993 2.4729 3.0005 3.0126 3.6533 3.7246 7.8827 7.8883 10.0478 10.0712 10.3513 10.3720 10.5559 10.6211 k = 0.2680 0.4641-0.0000 ( 11983 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.5360 -3.5358 -2.8732 -2.8731 1.1252 1.2413 1.5133 1.5205 2.1507 2.2337 2.3885 2.4164 3.0762 3.0896 3.7385 3.8098 7.9115 7.9172 9.9625 9.9872 10.2831 10.3044 10.4463 10.5090 k = 0.2614 0.4528-0.0000 ( 11983 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.5891 -3.5889 -2.8635 -2.8635 1.1021 1.2231 1.5607 1.5663 2.1375 2.2945 2.3744 2.4176 3.1555 3.1700 3.8255 3.8968 7.9422 7.9480 9.8791 9.9049 10.2138 10.2357 10.3379 10.3985 k = 0.2549 0.4415-0.0000 ( 11987 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6432 -3.6430 -2.8572 -2.8572 1.0846 1.2114 1.6135 1.6171 2.1004 2.2840 2.4085 2.4747 3.2381 3.2534 3.9140 3.9855 7.9745 7.9802 9.7980 9.8247 10.1437 10.1661 10.2314 10.2900 k = 0.2484 0.4302-0.0000 ( 11979 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6980 -3.6979 -2.8543 -2.8543 1.0727 1.2064 1.6716 1.6724 2.0545 2.2378 2.4836 2.5456 3.3234 3.3395 4.0040 4.0757 8.0081 8.0136 9.7197 9.7474 10.0720 10.0960 10.1279 10.1838 k = 0.2418 0.4189-0.0000 ( 11995 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.7535 -3.7534 -2.8549 -2.8549 1.0661 1.2077 1.7310 1.7345 2.0078 2.1911 2.5651 2.6238 3.4113 3.4281 4.0954 4.1674 8.0425 8.0478 9.6449 9.6734 9.9950 10.0248 10.0319 10.0806 k = 0.2353 0.4075-0.0000 ( 11987 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6496 -40.6496 -3.8094 -3.8093 -2.8588 -2.8588 1.0641 1.2148 1.7892 1.8021 1.9671 2.1480 2.6498 2.7067 3.5016 3.5191 4.1880 4.2603 8.0772 8.0821 9.5740 9.6034 9.9051 9.9500 9.9510 9.9835 k = 0.2288 0.3962-0.0000 ( 11993 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6496 -40.6496 -3.8655 -3.8653 -2.8662 -2.8661 1.0661 1.2267 1.8316 1.8735 1.9499 2.1106 2.7370 2.7932 3.5940 3.6121 4.2817 4.3545 8.1115 8.1159 9.5078 9.5381 9.8083 9.8632 9.8798 9.9010 k = 0.2222 0.3849-0.0000 ( 11999 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6496 -40.6496 -3.9215 -3.9214 -2.8767 -2.8766 1.0709 1.2419 1.8299 1.9468 1.9862 2.0820 2.8265 2.8826 3.6884 3.7072 4.3763 4.4495 8.1447 8.1485 9.4468 9.4781 9.7113 9.7684 9.8119 9.8295 k = 0.2157 0.3736-0.0000 ( 11997 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6496 -40.6496 -3.9774 -3.9773 -2.8903 -2.8901 1.0772 1.2580 1.8076 2.0080 2.0551 2.0772 2.9180 2.9747 3.7846 3.8040 4.4717 4.5454 8.1759 8.1791 9.3919 9.4244 9.6156 9.6731 9.7458 9.7617 k = 0.2092 0.3623-0.0000 ( 12001 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6496 -40.6496 -4.0329 -4.0328 -2.9067 -2.9065 1.0835 1.2718 1.7892 2.0197 2.1349 2.1351 3.0117 3.0693 3.8824 3.9025 4.5676 4.6419 8.2040 8.2065 9.3438 9.3779 9.5221 9.5792 9.6814 9.6957 k = 0.2026 0.3509-0.0000 ( 12013 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6497 -40.6497 -4.0879 -4.0879 -2.9257 -2.9254 1.0882 1.2797 1.7831 2.0191 2.2192 2.2211 3.1073 3.1661 3.9817 4.0024 4.6640 4.7389 8.2278 8.2296 9.3032 9.3396 9.4314 9.4872 9.6185 9.6314 k = 0.1961 0.3396-0.0000 ( 12017 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6497 -40.6497 -4.1423 -4.1423 -2.9470 -2.9467 1.0899 1.2783 1.7939 2.0268 2.3105 2.3116 3.2049 3.2651 4.0822 4.1037 4.7605 4.8360 8.2463 8.2474 9.2687 9.3105 9.3458 9.3973 9.5573 9.5687 k = 0.1895 0.3283-0.0000 ( 12005 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6497 -40.6497 -4.1958 -4.1958 -2.9703 -2.9699 1.0874 1.2664 1.8230 2.0462 2.4060 2.4061 3.3044 3.3662 4.1838 4.2061 4.8571 4.9332 8.2582 8.2588 9.2258 9.2807 9.2912 9.3096 9.4978 9.5077 k = 0.1830 0.3170-0.0000 ( 12001 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6518 -40.6518 -40.6497 -40.6497 -4.2485 -4.2485 -2.9954 -2.9949 1.0800 1.2451 1.8694 2.0784 2.5037 2.5051 3.4058 3.4694 4.2863 4.3094 4.9534 5.0300 8.2630 8.2633 9.1531 9.2235 9.2579 9.2827 9.4402 9.4484 k = 0.1765 0.3057-0.0000 ( 12005 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6497 -40.6497 -4.3001 -4.3001 -3.0220 -3.0214 1.0676 1.2166 1.9307 2.1232 2.6044 2.6072 3.5090 3.5745 4.3895 4.4135 5.0493 5.1264 8.2604 8.2605 9.0722 9.1398 9.2556 9.2840 9.3846 9.3910 k = 0.1699 0.2943-0.0000 ( 11993 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6497 -40.6497 -4.3506 -4.3505 -3.0497 -3.0491 1.0508 1.1833 2.0043 2.1802 2.7077 2.7119 3.6140 3.6816 4.4932 4.5182 5.1445 5.2220 8.2507 8.2508 8.9913 9.0582 9.2637 9.2944 9.3320 9.3355 k = 0.1634 0.2830-0.0000 ( 11983 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6497 -40.6497 -4.3998 -4.3997 -3.0783 -3.0776 1.0301 1.1471 2.0882 2.2483 2.8135 2.8190 3.7207 3.7904 4.5971 4.6231 5.2388 5.3165 8.2347 8.2349 8.9118 8.9787 9.2659 9.2814 9.2958 9.3132 k = 0.1569 0.2717-0.0000 ( 11981 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6497 -40.6497 -4.4476 -4.4475 -3.1075 -3.1068 1.0064 1.1094 2.1806 2.3266 2.9214 2.9282 3.8291 3.9010 4.7009 4.7281 5.3319 5.4098 8.2134 8.2139 8.8341 8.9011 9.2238 9.2299 9.3118 9.3367 k = 0.1503 0.2604-0.0000 ( 11953 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6497 -40.6497 -4.4940 -4.4939 -3.1371 -3.1364 0.9805 1.0711 2.2804 2.4140 3.0311 3.0391 3.9392 4.0132 4.8045 4.8329 5.4236 5.5014 8.1882 8.1889 8.7582 8.8254 9.1765 9.1803 9.3381 9.3632 k = 0.1438 0.2491-0.0000 ( 11961 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6498 -40.6498 -4.5389 -4.5389 -3.1669 -3.1661 0.9530 1.0328 2.3866 2.5094 3.1423 3.1515 4.0507 4.1269 4.9075 4.9372 5.5137 5.5911 8.1600 8.1609 8.6841 8.7516 9.1305 9.1327 9.3647 9.3888 k = 0.1373 0.2377-0.0000 ( 11953 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6498 -40.6498 -4.5823 -4.5822 -3.1965 -3.1957 0.9245 0.9950 2.4986 2.6119 3.2547 3.2649 4.1637 4.2418 5.0095 5.0408 5.6019 5.6787 8.1299 8.1310 8.6119 8.6797 9.0862 9.0872 9.3872 9.4096 k = 0.1307 0.2264-0.0000 ( 11957 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6498 -40.6498 -4.6239 -4.6238 -3.2259 -3.2251 0.8957 0.9580 2.6156 2.7208 3.3679 3.3790 4.2780 4.3579 5.1104 5.1432 5.6881 5.7639 8.0987 8.0998 8.5414 8.6094 9.0436 9.0438 9.4009 9.4209 k = 0.1242 0.2151-0.0000 ( 11959 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6520 -40.6520 -40.6498 -40.6498 -4.6639 -4.6638 -3.2549 -3.2540 0.8669 0.9222 2.7372 2.8352 3.4816 3.4934 4.3934 4.4748 5.2097 5.2441 5.7721 5.8464 8.0671 8.0683 8.4728 8.5409 9.0021 9.0032 9.4016 9.4190 k = 0.1176 0.2038-0.0000 ( 11965 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6520 -40.6520 -40.6498 -40.6498 -4.7021 -4.7020 -3.2832 -3.2823 0.8385 0.8875 2.8627 2.9546 3.5955 3.6078 4.5097 4.5923 5.3072 5.3432 5.8538 5.9261 8.0357 8.0367 8.4060 8.4739 8.9627 8.9645 9.3867 9.4018 k = 0.1111 0.1925-0.0000 ( 11969 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6520 -40.6520 -40.6498 -40.6498 -4.7385 -4.7384 -3.3107 -3.3098 0.8107 0.8543 2.9918 3.0782 3.7091 3.7217 4.6266 4.7098 5.4025 5.4401 5.9330 6.0028 8.0048 8.0057 8.3409 8.4084 8.9252 8.9277 9.3558 9.3695 k = 0.1046 0.1811-0.0000 ( 11977 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6498 -40.6498 -4.7730 -4.7729 -3.3372 -3.3364 0.7838 0.8226 3.1239 3.2054 3.8220 3.8346 4.7438 4.8268 5.4955 5.5345 6.0097 6.0763 7.9749 7.9755 8.2775 8.3444 8.8896 8.8927 9.3096 9.3230 k = 0.0980 0.1698-0.0000 ( 11967 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6499 -40.6499 -4.8056 -4.8055 -3.3627 -3.3619 0.7580 0.7926 3.2585 3.3357 3.9338 3.9461 4.8607 4.9427 5.5860 5.6260 6.0838 6.1465 7.9462 7.9464 8.2160 8.2818 8.8560 8.8596 9.2488 9.2629 k = 0.0915 0.1585-0.0000 ( 11973 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6499 -40.6499 -4.8363 -4.8362 -3.3871 -3.3863 0.7334 0.7642 3.3950 3.4683 4.0441 4.0557 4.9768 5.0566 5.6740 5.7143 6.1552 6.2134 7.9186 7.9188 8.1563 8.2207 8.8244 8.8282 9.1737 9.1894 k = 0.0850 0.1472-0.0000 ( 11967 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6499 -40.6499 -4.8649 -4.8648 -3.4101 -3.4093 0.7102 0.7375 3.5328 3.6025 4.1524 4.1629 5.0913 5.1673 5.7596 5.7992 6.2240 6.2769 7.8923 7.8930 8.0985 8.1610 8.7947 8.7987 9.0847 9.1023 k = 0.0784 0.1358-0.0000 ( 11971 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6499 -40.6499 -4.8916 -4.8915 -3.4318 -3.4310 0.6884 0.7126 3.6710 3.7374 4.2582 4.2673 5.2031 5.2735 5.8429 5.8805 6.2899 6.3370 7.8674 7.8688 8.0429 8.1028 8.7669 8.7708 8.9829 9.0025 k = 0.0719 0.1245-0.0000 ( 11971 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6499 -40.6499 -4.9162 -4.9161 -3.4520 -3.4513 0.6681 0.6895 3.8088 3.8720 4.3611 4.3685 5.3110 5.3738 5.9245 5.9584 6.3530 6.3936 7.8441 7.8463 7.9896 8.0464 8.7411 8.7445 8.8706 8.8917 k = 0.0654 0.1132-0.0000 ( 11973 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -4.9388 -4.9387 -3.4706 -3.4700 0.6495 0.6683 3.9451 4.0052 4.4607 4.4661 5.4135 5.4665 6.0044 6.0328 6.4129 6.4466 7.8224 7.8255 7.9390 7.9919 8.7165 8.7169 8.7538 8.7727 k = 0.0588 0.1019-0.0000 ( 11983 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -4.9593 -4.9592 -3.4877 -3.4871 0.6325 0.6490 4.0785 4.1353 4.5566 4.5598 5.5088 5.5502 6.0829 6.1041 6.4697 6.4960 7.8021 7.8062 7.8914 7.9398 8.6203 8.6465 8.6968 8.7026 k = 0.0523 0.0906-0.0000 ( 11991 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -4.9777 -4.9776 -3.5031 -3.5026 0.6173 0.6316 4.2072 4.2604 4.6485 4.6496 5.5949 5.6236 6.1592 6.1725 6.5230 6.5415 7.7831 7.7883 7.8474 7.8907 8.4954 8.5213 8.6767 8.6815 k = 0.0458 0.0792-0.0000 ( 11979 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -4.9939 -4.9939 -3.5168 -3.5164 0.6039 0.6161 4.3290 4.3781 4.7355 4.7363 5.6700 5.6861 6.2324 6.2380 6.5726 6.5829 7.7651 7.7714 7.8076 7.8452 8.3731 8.3984 8.6592 8.6634 k = 0.0392 0.0679-0.0000 ( 11973 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -5.0080 -5.0080 -3.5288 -3.5284 0.5923 0.6025 4.4412 4.4853 4.8177 4.8197 5.7324 5.7374 6.3001 6.3006 6.6179 6.6200 7.7476 7.7548 7.7732 7.8046 8.2581 8.2823 8.6439 8.6477 k = 0.0327 0.0566-0.0000 ( 11989 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6499 -5.0200 -5.0199 -3.5390 -3.5386 0.5825 0.5909 4.5410 4.5789 4.8960 4.8984 5.7779 5.7813 6.3578 6.3616 6.6526 6.6583 7.7297 7.7351 7.7474 7.7699 8.1547 8.1769 8.6310 8.6343 k = 0.0261 0.0453-0.0000 ( 11977 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -5.0298 -5.0297 -3.5473 -3.5470 0.5746 0.5812 4.6255 4.6562 4.9691 4.9711 5.8083 5.8167 6.4091 6.4135 6.6807 6.6925 7.7112 7.7125 7.7299 7.7421 8.0673 8.0866 8.6205 8.6232 k = 0.0196 0.0340-0.0000 ( 11965 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6499 -40.6499 -5.0374 -5.0374 -3.5538 -3.5536 0.5686 0.5736 4.6927 4.7157 5.0341 5.0352 5.8296 5.8396 6.4519 6.4548 6.7042 6.7193 7.6932 7.6934 7.7149 7.7208 7.9992 8.0145 8.6123 8.6144 k = 0.0131 0.0226-0.0000 ( 11973 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6500 -5.0429 -5.0428 -3.5585 -3.5584 0.5646 0.5678 4.7417 4.7567 5.0863 5.0867 5.8436 5.8520 6.4837 6.4849 6.7232 6.7372 7.6785 7.6787 7.7019 7.7047 7.9523 7.9628 8.6066 8.6080 k = 0.0065 0.0113-0.0000 ( 11981 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6500 -5.0461 -5.0461 -3.5613 -3.5612 0.5625 0.5641 4.7723 4.7797 5.1204 5.1204 5.8520 5.8568 6.5031 6.5032 6.7373 6.7458 7.6690 7.6691 7.6930 7.6941 7.9263 7.9316 8.6033 8.6040 k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6500 -5.0472 -5.0472 -3.5622 -3.5622 0.5623 0.5623 4.7849 4.7849 5.1323 5.1323 5.8563 5.8563 6.5095 6.5095 6.7454 6.7454 7.6657 7.6657 7.6901 7.6901 7.9196 7.9196 8.6024 8.6024 k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6500 -5.0472 -5.0472 -3.5622 -3.5622 0.5623 0.5623 4.7849 4.7849 5.1323 5.1323 5.8563 5.8563 6.5095 6.5095 6.7454 6.7454 7.6657 7.6657 7.6901 7.6901 7.9196 7.9196 8.6024 8.6024 k = 0.0000 0.0000 0.0128 ( 11969 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6500 -5.0461 -5.0461 -3.5649 -3.5649 0.5675 0.5675 4.7859 4.7859 5.1333 5.1333 5.8524 5.8524 6.5072 6.5072 6.7276 6.7276 7.6674 7.6674 7.6914 7.6914 7.9207 7.9207 8.6177 8.6177 k = 0.0000 0.0000 0.0257 ( 11981 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6500 -5.0430 -5.0430 -3.5730 -3.5730 0.5832 0.5832 4.7890 4.7890 5.1366 5.1366 5.8403 5.8403 6.5004 6.5004 6.6767 6.6767 7.6724 7.6724 7.6955 7.6955 7.9236 7.9236 8.6609 8.6609 k = 0.0000 0.0000 0.0385 ( 11987 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6500 -5.0376 -5.0376 -3.5863 -3.5863 0.6091 0.6091 4.7941 4.7941 5.1419 5.1419 5.8192 5.8192 6.4891 6.4891 6.5989 6.5989 7.6807 7.6807 7.7022 7.7022 7.9285 7.9285 8.7251 8.7251 k = 0.0000 0.0000 0.0514 ( 11969 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6521 -40.6521 -40.6500 -40.6500 -5.0302 -5.0302 -3.6047 -3.6047 0.6452 0.6452 4.8013 4.8013 5.1494 5.1494 5.7876 5.7876 6.4736 6.4736 6.5028 6.5028 7.6922 7.6922 7.7116 7.7116 7.9355 7.9355 8.8009 8.8009 k = 0.0000 0.0000 0.0642 ( 11993 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6500 -40.6500 -5.0206 -5.0206 -3.6278 -3.6278 0.6909 0.6909 4.8105 4.8105 5.1591 5.1591 5.7430 5.7430 6.3972 6.3972 6.4541 6.4541 7.7068 7.7068 7.7236 7.7236 7.9443 7.9443 8.8781 8.8781 k = 0.0000 0.0000 0.0770 ( 11987 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6501 -40.6501 -5.0089 -5.0089 -3.6552 -3.6552 0.7461 0.7461 4.8216 4.8216 5.1708 5.1708 5.6819 5.6819 6.2906 6.2906 6.4307 6.4307 7.7245 7.7245 7.7381 7.7381 7.9552 7.9552 8.9470 8.9470 k = 0.0000 0.0000 0.0899 ( 11987 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6501 -40.6501 -4.9951 -4.9951 -3.6867 -3.6867 0.8103 0.8103 4.8348 4.8348 5.1846 5.1846 5.6007 5.6007 6.1908 6.1908 6.4039 6.4039 7.7452 7.7452 7.7553 7.7553 7.9680 7.9680 9.0001 9.0001 k = 0.0000 0.0000 0.1027 ( 11999 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6520 -40.6520 -40.6501 -40.6501 -4.9793 -4.9793 -3.7218 -3.7218 0.8831 0.8831 4.8500 4.8500 5.2005 5.2005 5.4976 5.4976 6.1027 6.1027 6.3739 6.3739 7.7687 7.7687 7.7752 7.7752 7.9827 7.9827 9.0332 9.0332 k = 0.0000 0.0000 0.1155 ( 11999 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6519 -40.6519 -40.6501 -40.6501 -4.9614 -4.9614 -3.7600 -3.7600 0.9640 0.9640 4.8670 4.8670 5.2185 5.2185 5.3737 5.3737 6.0274 6.0274 6.3410 6.3410 7.7949 7.7949 7.7976 7.7976 7.9995 7.9995 9.0463 9.0463 k = 0.0000 0.0000 0.1284 ( 11987 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6519 -40.6519 -40.6502 -40.6502 -4.9414 -4.9414 -3.8009 -3.8009 1.0527 1.0527 4.8860 4.8860 5.2330 5.2330 5.2384 5.2384 5.9629 5.9629 6.3057 6.3057 7.8226 7.8226 7.8239 7.8239 8.0181 8.0181 9.0424 9.0424 k = 0.0000 0.0000 0.1412 ( 11987 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6518 -40.6518 -40.6502 -40.6502 -4.9194 -4.9194 -3.8442 -3.8442 1.1486 1.1486 4.9069 4.9069 5.0801 5.0801 5.2603 5.2603 5.9061 5.9061 6.2681 6.2681 7.8503 7.8503 7.8555 7.8555 8.0387 8.0387 9.0253 9.0253 k = 0.0000 0.0000 0.1541 ( 11999 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6518 -40.6518 -40.6503 -40.6503 -4.8955 -4.8955 -3.8894 -3.8894 1.2513 1.2513 4.9187 4.9187 4.9296 4.9296 5.2842 5.2842 5.8542 5.8542 6.2285 6.2285 7.8806 7.8806 7.8897 7.8897 8.0612 8.0612 8.9985 8.9985 k = 0.0000 0.0000 0.1669 ( 11999 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6517 -40.6517 -40.6503 -40.6503 -4.8695 -4.8695 -3.9361 -3.9361 1.3604 1.3604 4.7519 4.7519 4.9541 4.9541 5.3099 5.3099 5.8054 5.8054 6.1874 6.1874 7.9134 7.9134 7.9264 7.9264 8.0855 8.0855 8.9647 8.9647 k = 0.0000 0.0000 0.1797 ( 12011 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6517 -40.6517 -40.6504 -40.6504 -4.8416 -4.8416 -3.9839 -3.9839 1.4755 1.4755 4.5816 4.5816 4.9803 4.9803 5.3376 5.3376 5.7585 5.7585 6.1450 6.1450 7.9488 7.9488 7.9657 7.9657 8.1117 8.1117 8.9259 8.9259 k = 0.0000 0.0000 0.1926 ( 12023 PWs) bands (ev): -94.8006 -94.8006 -94.8006 -94.8006 -40.6516 -40.6516 -40.6504 -40.6504 -4.8118 -4.8118 -4.0327 -4.0327 1.5963 1.5963 4.4093 4.4093 5.0082 5.0082 5.3670 5.3670 5.7127 5.7127 6.1015 6.1015 7.9868 7.9868 8.0074 8.0074 8.1396 8.1396 8.8838 8.8838 k = 0.0000 0.0000 0.2054 ( 12011 PWs) bands (ev): -94.8006 -94.8006 -94.8006 -94.8006 -40.6516 -40.6516 -40.6505 -40.6505 -4.7802 -4.7802 -4.0819 -4.0819 1.7225 1.7225 4.2362 4.2362 5.0378 5.0378 5.3981 5.3981 5.6677 5.6677 6.0572 6.0572 8.0274 8.0274 8.0515 8.0515 8.1695 8.1695 8.8394 8.8394 k = 0.0000 0.0000 0.2182 ( 11999 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6515 -40.6515 -40.6506 -40.6506 -4.7468 -4.7468 -4.1315 -4.1315 1.8537 1.8537 4.0629 4.0629 5.0689 5.0689 5.4309 5.4309 5.6231 5.6231 6.0124 6.0124 8.0704 8.0704 8.0981 8.0981 8.2010 8.2010 8.7936 8.7936 k = 0.0000 0.0000 0.2311 ( 12005 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6514 -40.6514 -40.6506 -40.6506 -4.7115 -4.7115 -4.1810 -4.1810 1.9895 1.9895 3.8902 3.8902 5.1015 5.1015 5.4653 5.4653 5.5789 5.5789 5.9672 5.9672 8.1160 8.1160 8.1471 8.1471 8.2342 8.2342 8.7471 8.7471 k = 0.0000 0.0000 0.2439 ( 12011 PWs) bands (ev): -94.8006 -94.8006 -94.8006 -94.8006 -40.6514 -40.6514 -40.6507 -40.6507 -4.6746 -4.6746 -4.2303 -4.2303 2.1297 2.1297 3.7185 3.7185 5.1355 5.1355 5.5013 5.5013 5.5351 5.5351 5.9220 5.9220 8.1639 8.1639 8.1985 8.1985 8.2690 8.2690 8.7004 8.7004 k = 0.0000 0.0000 0.2568 ( 12011 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6513 -40.6513 -40.6508 -40.6508 -4.6361 -4.6361 -4.2792 -4.2792 2.2741 2.2741 3.5482 3.5482 5.1709 5.1709 5.4918 5.4918 5.5387 5.5387 5.8768 5.8768 8.2142 8.2142 8.2522 8.2522 8.3053 8.3053 8.6539 8.6539 k = 0.0000 0.0000 0.2696 ( 12000 PWs) bands (ev): -94.8006 -94.8006 -94.8005 -94.8005 -40.6512 -40.6512 -40.6508 -40.6508 -4.5959 -4.5959 -4.3275 -4.3275 2.4224 2.4224 3.3797 3.3797 5.2076 5.2076 5.4489 5.4489 5.5774 5.5774 5.8319 5.8319 8.2667 8.2667 8.3083 8.3083 8.3427 8.3427 8.6081 8.6081 k = 0.0000 0.0000 0.2824 ( 11976 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6512 -40.6512 -40.6509 -40.6509 -4.5543 -4.5543 -4.3750 -4.3750 2.5743 2.5743 3.2134 3.2134 5.2454 5.2454 5.4067 5.4067 5.6174 5.6174 5.7875 5.7875 8.3210 8.3210 8.3668 8.3668 8.3807 8.3807 8.5636 8.5636 k = 0.0000 0.0000 0.2953 ( 11970 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6511 -40.6511 -40.6510 -40.6510 -4.5113 -4.5113 -4.4215 -4.4215 2.7296 2.7296 3.0494 3.0494 5.2844 5.2844 5.3651 5.3651 5.6585 5.6585 5.7437 5.7437 8.3758 8.3758 8.4159 8.4159 8.4275 8.4275 8.5181 8.5181 k = 0.0000 0.0000 0.3081 ( 11946 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4670 -4.4670 -4.4670 -4.4670 2.8880 2.8880 2.8880 2.8880 5.3243 5.3243 5.3243 5.3243 5.7007 5.7007 5.7007 5.7007 8.4219 8.4219 8.4219 8.4219 8.4905 8.4905 8.4905 8.4905 k = 0.0000 0.0000 0.3081 ( 11946 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4670 -4.4670 -4.4670 -4.4670 2.8880 2.8880 2.8880 2.8880 5.3243 5.3243 5.3243 5.3243 5.7007 5.7007 5.7007 5.7007 8.4219 8.4219 8.4219 8.4219 8.4905 8.4905 8.4905 8.4905 k = 0.0114 0.0066 0.3081 ( 11976 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4660 -4.4660 -4.4659 -4.4659 2.8863 2.8863 2.8902 2.8902 5.3107 5.3107 5.3222 5.3222 5.6917 5.6917 5.6918 5.6918 8.4056 8.4056 8.4397 8.4397 8.4620 8.4620 8.4868 8.4868 k = 0.0227 0.0131 0.3081 ( 11984 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4628 -4.4628 -4.4628 -4.4628 2.8851 2.8851 2.8930 2.8930 5.2812 5.2812 5.3045 5.3045 5.6655 5.6655 5.6665 5.6665 8.3911 8.3911 8.4317 8.4317 8.4719 8.4719 8.5008 8.5008 k = 0.0341 0.0197 0.3081 ( 11994 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4576 -4.4576 -4.4574 -4.4574 2.8843 2.8843 2.8962 2.8962 5.2354 5.2354 5.2711 5.2711 5.6244 5.6244 5.6275 5.6275 8.3771 8.3771 8.4115 8.4115 8.5072 8.5072 8.5303 8.5303 k = 0.0455 0.0262 0.3081 ( 11994 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4502 -4.4502 -4.4500 -4.4500 2.8836 2.8836 2.8998 2.8998 5.1733 5.1733 5.2218 5.2218 5.5722 5.5722 5.5785 5.5785 8.3625 8.3625 8.3917 8.3917 8.5538 8.5538 8.5731 8.5731 k = 0.0568 0.0328 0.3081 ( 12000 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4407 -4.4407 -4.4405 -4.4405 2.8830 2.8830 2.9036 2.9036 5.0956 5.0956 5.1566 5.1566 5.5127 5.5127 5.5226 5.5226 8.3465 8.3465 8.3716 8.3716 8.6110 8.6110 8.6280 8.6280 k = 0.0682 0.0394 0.3081 ( 12000 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4292 -4.4292 -4.4289 -4.4289 2.8822 2.8822 2.9075 2.9075 5.0038 5.0038 5.0765 5.0765 5.4494 5.4494 5.4627 5.4627 8.3285 8.3285 8.3504 8.3504 8.6784 8.6784 8.6938 8.6938 k = 0.0795 0.0459 0.3081 ( 11992 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4155 -4.4155 -4.4153 -4.4153 2.8808 2.8808 2.9111 2.9111 4.9002 4.9002 4.9832 4.9832 5.3843 5.3843 5.4002 5.4002 8.3085 8.3085 8.3277 8.3277 8.7549 8.7549 8.7693 8.7693 k = 0.0909 0.0525 0.3081 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.3998 -4.3998 -4.3996 -4.3996 2.8783 2.8783 2.9141 2.9141 4.7875 4.7875 4.8796 4.8796 5.3185 5.3185 5.3360 5.3360 8.2865 8.2865 8.3035 8.3035 8.8398 8.8398 8.8535 8.8535 k = 0.1023 0.0590 0.3081 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.3821 -4.3821 -4.3818 -4.3818 2.8742 2.8742 2.9158 2.9158 4.6686 4.6686 4.7690 4.7690 5.2524 5.2524 5.2707 5.2707 8.2627 8.2627 8.2779 8.2779 8.9321 8.9321 8.9454 8.9454 k = 0.1136 0.0656 0.3081 ( 11984 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.3624 -4.3624 -4.3621 -4.3621 2.8676 2.8676 2.9156 2.9156 4.5462 4.5462 4.6543 4.6543 5.1861 5.1861 5.2047 5.2047 8.2372 8.2372 8.2509 8.2509 9.0309 9.0309 9.0440 9.0440 k = 0.1250 0.0722 0.3081 ( 12002 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.3408 -4.3408 -4.3404 -4.3404 2.8577 2.8577 2.9124 2.9124 4.4231 4.4231 4.5386 4.5386 5.1196 5.1196 5.1381 5.1381 8.2104 8.2104 8.2227 8.2227 9.1353 9.1353 9.1483 9.1483 k = 0.1364 0.0787 0.3081 ( 11994 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.3172 -4.3172 -4.3168 -4.3168 2.8433 2.8433 2.9051 2.9051 4.3020 4.3020 4.4247 4.4247 5.0531 5.0531 5.0714 5.0714 8.1824 8.1824 8.1936 8.1936 9.2443 9.2443 9.2576 9.2576 k = 0.1477 0.0853 0.3081 ( 11990 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.2917 -4.2917 -4.2913 -4.2913 2.8230 2.8230 2.8918 2.8918 4.1856 4.1856 4.3152 4.3152 4.9867 4.9867 5.0047 5.0047 8.1535 8.1535 8.1637 8.1637 9.3571 9.3571 9.3708 9.3708 k = 0.1591 0.0919 0.3081 ( 11990 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.2644 -4.2644 -4.2639 -4.2639 2.7953 2.7953 2.8707 2.8707 4.0770 4.0770 4.2128 4.2128 4.9208 4.9208 4.9384 4.9384 8.1240 8.1240 8.1333 8.1333 9.4728 9.4728 9.4872 9.4872 k = 0.1705 0.0984 0.3081 ( 11990 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.2352 -4.2352 -4.2347 -4.2347 2.7586 2.7586 2.8393 2.8393 3.9791 3.9791 4.1199 4.1199 4.8554 4.8554 4.8727 4.8727 8.0940 8.0940 8.1025 8.1025 9.5900 9.5900 9.6056 9.6056 k = 0.1818 0.1050 0.3081 ( 11998 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.2044 -4.2044 -4.2038 -4.2038 2.7114 2.7114 2.7956 2.7956 3.8947 3.8947 4.0384 4.0384 4.7909 4.7909 4.8079 4.8079 8.0638 8.0638 8.0717 8.0717 9.7073 9.7073 9.7250 9.7250 k = 0.1932 0.1115 0.3081 ( 12000 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.1718 -4.1718 -4.1713 -4.1713 2.6529 2.6529 2.7380 2.7380 3.8260 3.8260 3.9698 3.9698 4.7276 4.7276 4.7443 4.7443 8.0337 8.0337 8.0409 8.0409 9.8214 9.8214 9.8433 9.8433 k = 0.2045 0.1181 0.3081 ( 11984 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.1377 -4.1377 -4.1371 -4.1371 2.5828 2.5828 2.6661 2.6661 3.7736 3.7736 3.9149 3.9149 4.6655 4.6655 4.6820 4.6820 8.0038 8.0038 8.0104 8.0104 9.9218 9.9218 9.9546 9.9546 k = 0.2159 0.1247 0.3081 ( 11992 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.1020 -4.1020 -4.1014 -4.1014 2.5018 2.5018 2.5808 2.5808 3.7368 3.7368 3.8732 3.8732 4.6050 4.6050 4.6214 4.6214 7.9742 7.9742 7.9803 7.9803 9.9695 9.9695 10.0243 10.0243 k = 0.2273 0.1312 0.3081 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.0649 -4.0649 -4.0643 -4.0643 2.4111 2.4111 2.4843 2.4843 3.7139 3.7139 3.8437 3.8437 4.5463 4.5463 4.5625 4.5625 7.9452 7.9452 7.9509 7.9509 9.9342 9.9342 9.9903 9.9903 k = 0.2386 0.1378 0.3081 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.0265 -4.0265 -4.0259 -4.0259 2.3126 2.3126 2.3791 2.3791 3.7026 3.7026 3.8249 3.8249 4.4896 4.4896 4.5057 4.5057 7.9169 7.9169 7.9222 7.9222 9.8581 9.8581 9.9098 9.9098 k = 0.2500 0.1443 0.3081 ( 11998 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -3.9868 -3.9868 -3.9863 -3.9863 2.2079 2.2079 2.2677 2.2677 3.7003 3.7003 3.8151 3.8151 4.4350 4.4350 4.4512 4.4512 7.8894 7.8894 7.8943 7.8943 9.7649 9.7649 9.8135 9.8135 k = 0.2614 0.1509 0.3081 ( 11998 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.9461 -3.9461 -3.9455 -3.9455 2.0990 2.0990 2.1523 2.1523 3.7051 3.7051 3.8126 3.8126 4.3830 4.3830 4.3992 4.3992 7.8630 7.8630 7.8675 7.8675 9.6630 9.6630 9.7092 9.7092 k = 0.2727 0.1575 0.3081 ( 12004 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.9045 -3.9045 -3.9039 -3.9039 1.9874 1.9874 2.0346 2.0346 3.7151 3.7151 3.8157 3.8157 4.3337 4.3337 4.3499 4.3499 7.8376 7.8376 7.8419 7.8419 9.5565 9.5565 9.6007 9.6007 k = 0.2841 0.1640 0.3081 ( 11994 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.8620 -3.8620 -3.8614 -3.8614 1.8745 1.8745 1.9163 1.9163 3.7288 3.7288 3.8229 3.8229 4.2875 4.2875 4.3037 4.3037 7.8136 7.8136 7.8176 7.8176 9.4479 9.4479 9.4902 9.4902 k = 0.2955 0.1706 0.3081 ( 11986 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.8189 -3.8189 -3.8183 -3.8183 1.7615 1.7615 1.7985 1.7985 3.7448 3.7448 3.8328 3.8328 4.2450 4.2450 4.2610 4.2610 7.7908 7.7908 7.7946 7.7946 9.3388 9.3388 9.3794 9.3794 k = 0.3068 0.1771 0.3081 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.7754 -3.7754 -3.7749 -3.7749 1.6494 1.6494 1.6820 1.6820 3.7618 3.7618 3.8439 3.8439 4.2068 4.2068 4.2223 4.2223 7.7696 7.7696 7.7732 7.7732 9.2305 9.2305 9.2694 9.2694 k = 0.3182 0.1837 0.3081 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.7317 -3.7317 -3.7312 -3.7312 1.5391 1.5391 1.5679 1.5679 3.7785 3.7785 3.8546 3.8546 4.1738 4.1738 4.1883 4.1883 7.7499 7.7499 7.7533 7.7533 9.1238 9.1238 9.1611 9.1611 k = 0.3295 0.1903 0.3081 ( 11970 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.6880 -3.6880 -3.6875 -3.6875 1.4312 1.4312 1.4567 1.4567 3.7935 3.7935 3.8629 3.8629 4.1473 4.1473 4.1598 4.1598 7.7319 7.7319 7.7352 7.7352 9.0194 9.0194 9.0551 9.0551 k = 0.3409 0.1968 0.3081 ( 11974 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.6447 -3.6447 -3.6442 -3.6442 1.3266 1.3266 1.3491 1.3491 3.8054 3.8054 3.8672 3.8672 4.1286 4.1286 4.1379 4.1379 7.7156 7.7156 7.7189 7.7189 8.9180 8.9180 8.9521 8.9521 k = 0.3523 0.2034 0.3081 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.6019 -3.6019 -3.6014 -3.6014 1.2259 1.2259 1.2456 1.2456 3.8128 3.8128 3.8658 3.8658 4.1188 4.1188 4.1235 4.1235 7.7012 7.7012 7.7044 7.7044 8.8201 8.8201 8.8525 8.8525 k = 0.3636 0.2099 0.3081 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.5600 -3.5600 -3.5595 -3.5595 1.1295 1.1295 1.1469 1.1469 3.8148 3.8148 3.8585 3.8585 4.1170 4.1170 4.1176 4.1176 7.6888 7.6888 7.6920 7.6920 8.7261 8.7261 8.7568 8.7568 k = 0.3750 0.2165 0.3081 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.5193 -3.5193 -3.5189 -3.5189 1.0382 1.0382 1.0534 1.0534 3.8116 3.8116 3.8466 3.8466 4.1179 4.1179 4.1235 4.1235 7.6784 7.6784 7.6816 7.6816 8.6366 8.6366 8.6655 8.6655 k = 0.3864 0.2231 0.3081 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.4802 -3.4802 -3.4799 -3.4799 0.9524 0.9524 0.9657 0.9657 3.8042 3.8042 3.8316 3.8316 4.1250 4.1250 4.1344 4.1344 7.6701 7.6701 7.6733 7.6733 8.5519 8.5519 8.5790 8.5790 k = 0.3977 0.2296 0.3081 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.4432 -3.4432 -3.4428 -3.4428 0.8727 0.8727 0.8843 0.8843 3.7939 3.7939 3.8153 3.8153 4.1364 4.1364 4.1482 4.1482 7.6639 7.6639 7.6672 7.6672 8.4724 8.4724 8.4976 8.4976 k = 0.4091 0.2362 0.3081 ( 11966 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.4085 -3.4085 -3.4082 -3.4082 0.7997 0.7997 0.8097 0.8097 3.7823 3.7823 3.7989 3.7989 4.1505 4.1505 4.1633 4.1633 7.6598 7.6598 7.6632 7.6632 8.3987 8.3987 8.4218 8.4218 k = 0.4205 0.2427 0.3081 ( 11952 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.3765 -3.3765 -3.3763 -3.3763 0.7338 0.7338 0.7423 0.7423 3.7703 3.7703 3.7833 3.7833 4.1657 4.1657 4.1785 4.1785 7.6578 7.6578 7.6613 7.6613 8.3311 8.3311 8.3521 8.3521 k = 0.4318 0.2493 0.3081 ( 11966 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.3478 -3.3478 -3.3476 -3.3476 0.6755 0.6755 0.6826 0.6826 3.7589 3.7589 3.7690 3.7690 4.1809 4.1809 4.1930 4.1930 7.6577 7.6577 7.6612 7.6612 8.2702 8.2702 8.2890 8.2890 k = 0.4432 0.2559 0.3081 ( 11968 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.3227 -3.3227 -3.3225 -3.3225 0.6254 0.6254 0.6312 0.6312 3.7487 3.7487 3.7564 3.7564 4.1952 4.1952 4.2060 4.2060 7.6593 7.6593 7.6627 7.6627 8.2167 8.2167 8.2330 8.2330 k = 0.4545 0.2624 0.3081 ( 11970 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.3016 -3.3016 -3.3014 -3.3014 0.5838 0.5838 0.5883 0.5883 3.7400 3.7400 3.7458 3.7458 4.2080 4.2080 4.2171 4.2171 7.6622 7.6622 7.6654 7.6654 8.1713 8.1713 8.1849 8.1849 k = 0.4659 0.2690 0.3081 ( 11974 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.2848 -3.2848 -3.2846 -3.2846 0.5511 0.5511 0.5545 0.5545 3.7331 3.7331 3.7372 3.7372 4.2187 4.2187 4.2258 4.2258 7.6659 7.6659 7.6686 7.6686 8.1349 8.1349 8.1455 8.1455 k = 0.4773 0.2756 0.3081 ( 11966 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.2725 -3.2725 -3.2724 -3.2724 0.5277 0.5277 0.5299 0.5299 3.7282 3.7282 3.7309 3.7309 4.2270 4.2270 4.2318 4.2318 7.6696 7.6696 7.6716 7.6716 8.1084 8.1084 8.1157 8.1157 k = 0.4886 0.2821 0.3081 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.2651 -3.2651 -3.2650 -3.2650 0.5137 0.5137 0.5148 0.5148 3.7255 3.7255 3.7268 3.7268 4.2326 4.2326 4.2350 4.2350 7.6724 7.6724 7.6735 7.6735 8.0928 8.0928 8.0966 8.0966 k = 0.5000 0.2887 0.3081 ( 11980 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.2626 -3.2626 -3.2626 -3.2626 0.5094 0.5094 0.5094 0.5094 3.7250 3.7250 3.7250 3.7250 4.2353 4.2353 4.2353 4.2353 7.6739 7.6739 7.6739 7.6739 8.0888 8.0888 8.0888 8.0888 k = 0.5000 0.2887 0.3081 ( 11980 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.2626 -3.2626 -3.2626 -3.2626 0.5094 0.5094 0.5094 0.5094 3.7250 3.7250 3.7250 3.7250 4.2353 4.2353 4.2353 4.2353 7.6739 7.6739 7.6739 7.6739 8.0888 8.0888 8.0888 8.0888 k = 0.4936 0.2998 0.3081 ( 11974 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.2620 -3.2620 -3.2620 -3.2620 0.5088 0.5088 0.5118 0.5118 3.6921 3.6921 3.7312 3.7312 4.2236 4.2236 4.2622 4.2622 7.6797 7.6797 7.6825 7.6825 8.0889 8.0889 8.0936 8.0936 k = 0.4872 0.3109 0.3081 ( 11968 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.2602 -3.2602 -3.2601 -3.2601 0.5099 0.5099 0.5159 0.5159 3.6382 3.6382 3.7085 3.7085 4.2294 4.2294 4.2985 4.2985 7.6995 7.6995 7.7047 7.7047 8.0942 8.0942 8.1040 8.1040 k = 0.4808 0.3220 0.3081 ( 11968 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.2572 -3.2572 -3.2571 -3.2571 0.5126 0.5126 0.5217 0.5217 3.5692 3.5692 3.6606 3.6606 4.2497 4.2497 4.3388 4.3388 7.7315 7.7315 7.7382 7.7382 8.1060 8.1060 8.1217 8.1217 k = 0.4744 0.3331 0.3081 ( 11964 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.2531 -3.2531 -3.2530 -3.2530 0.5170 0.5170 0.5293 0.5293 3.4891 3.4891 3.5939 3.5939 4.2787 4.2787 4.3799 4.3799 7.7719 7.7719 7.7792 7.7792 8.1269 8.1269 8.1496 8.1496 k = 0.4679 0.3442 0.3081 ( 11968 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6506 -40.6506 -3.2478 -3.2478 -3.2477 -3.2477 0.5230 0.5230 0.5385 0.5385 3.4010 3.4010 3.5143 3.5143 4.3119 4.3119 4.4197 4.4197 7.8151 7.8151 7.8225 7.8225 8.1613 8.1613 8.1920 8.1920 k = 0.4615 0.3553 0.3081 ( 11968 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.2414 -3.2414 -3.2413 -3.2413 0.5305 0.5305 0.5495 0.5495 3.3068 3.3068 3.4259 3.4259 4.3464 4.3464 4.4575 4.4575 7.8546 7.8546 7.8625 7.8625 8.2145 8.2145 8.2532 8.2532 k = 0.4551 0.3664 0.3081 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.2340 -3.2340 -3.2339 -3.2339 0.5394 0.5394 0.5621 0.5621 3.2080 3.2080 3.3314 3.3314 4.3806 4.3806 4.4930 4.4930 7.8862 7.8862 7.8947 7.8947 8.2901 8.2901 8.3351 8.3351 k = 0.4487 0.3775 0.3081 ( 11992 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.2257 -3.2257 -3.2255 -3.2255 0.5498 0.5498 0.5763 0.5763 3.1060 3.1060 3.2329 3.2329 4.4137 4.4137 4.5261 4.5261 7.9096 7.9096 7.9179 7.9179 8.3875 8.3875 8.4370 8.4370 k = 0.4423 0.3886 0.3081 ( 11990 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.2164 -3.2164 -3.2162 -3.2162 0.5614 0.5614 0.5921 0.5921 3.0018 3.0018 3.1320 3.1320 4.4454 4.4454 4.5571 4.5571 7.9262 7.9262 7.9337 7.9337 8.5036 8.5036 8.5557 8.5557 k = 0.4359 0.3997 0.3081 ( 11986 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.2063 -3.2063 -3.2061 -3.2061 0.5742 0.5742 0.6093 0.6093 2.8966 2.8966 3.0301 3.0301 4.4757 4.4757 4.5861 4.5861 7.9378 7.9378 7.9442 7.9442 8.6343 8.6343 8.6880 8.6880 k = 0.4295 0.4108 0.3081 ( 11994 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1955 -3.1955 -3.1953 -3.1953 0.5880 0.5880 0.6279 0.6279 2.7911 2.7911 2.9281 2.9281 4.5045 4.5045 4.6133 4.6133 7.9456 7.9456 7.9510 7.9510 8.7764 8.7764 8.8306 8.8306 k = 0.4231 0.4219 0.3081 ( 11990 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1841 -3.1841 -3.1839 -3.1839 0.6026 0.6026 0.6478 0.6478 2.6862 2.6862 2.8272 2.8272 4.5320 4.5320 4.6390 4.6390 7.9505 7.9505 7.9552 7.9552 8.9269 8.9269 8.9807 8.9807 k = 0.4167 0.4330 0.3081 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1722 -3.1722 -3.1720 -3.1720 0.6179 0.6179 0.6689 0.6689 2.5828 2.5828 2.7282 2.7282 4.5580 4.5580 4.6633 4.6633 7.9530 7.9530 7.9574 7.9574 9.0826 9.0826 9.1349 9.1349 k = 0.4103 0.4441 0.3081 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1599 -3.1599 -3.1597 -3.1597 0.6336 0.6336 0.6908 0.6908 2.4817 2.4817 2.6321 2.6321 4.5828 4.5828 4.6863 4.6863 7.9534 7.9534 7.9581 7.9581 9.2398 9.2398 9.2890 9.2890 k = 0.4038 0.4552 0.3081 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1475 -3.1475 -3.1473 -3.1473 0.6495 0.6495 0.7135 0.7135 2.3836 2.3836 2.5397 2.5397 4.6062 4.6062 4.7080 4.7080 7.9521 7.9521 7.9574 7.9574 9.3929 9.3929 9.4366 9.4366 k = 0.3974 0.4663 0.3081 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1350 -3.1350 -3.1348 -3.1348 0.6652 0.6652 0.7366 0.7366 2.2895 2.2895 2.4518 2.4518 4.6283 4.6283 4.7286 4.7286 7.9493 7.9493 7.9553 7.9553 9.5325 9.5325 9.5674 9.5674 k = 0.3910 0.4774 0.3081 ( 11974 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1227 -3.1227 -3.1225 -3.1225 0.6805 0.6805 0.7598 0.7598 2.2000 2.2000 2.3693 2.3693 4.6490 4.6490 4.7478 4.7478 7.9452 7.9452 7.9519 7.9519 9.6439 9.6439 9.6675 9.6675 k = 0.3846 0.4885 0.3081 ( 11970 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1107 -3.1107 -3.1105 -3.1105 0.6949 0.6949 0.7826 0.7826 2.1161 2.1161 2.2931 2.2931 4.6682 4.6682 4.7658 4.7658 7.9400 7.9400 7.9474 7.9474 9.7124 9.7124 9.7277 9.7277 k = 0.3782 0.4996 0.3081 ( 11972 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0992 -3.0992 -3.0990 -3.0990 0.7081 0.7081 0.8046 0.8046 2.0388 2.0388 2.2238 2.2238 4.6858 4.6858 4.7823 4.7823 7.9340 7.9340 7.9419 7.9419 9.7382 9.7382 9.7539 9.7539 k = 0.3718 0.5107 0.3081 ( 11960 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0885 -3.0885 -3.0884 -3.0884 0.7197 0.7197 0.8252 0.8252 1.9691 1.9691 2.1624 2.1624 4.7017 4.7017 4.7972 4.7972 7.9275 7.9275 7.9358 7.9358 9.7384 9.7384 9.7581 9.7581 k = 0.3654 0.5218 0.3081 ( 11960 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0788 -3.0788 -3.0787 -3.0787 0.7295 0.7295 0.8437 0.8437 1.9080 1.9080 2.1095 2.1095 4.7156 4.7156 4.8103 4.8103 7.9207 7.9207 7.9293 7.9293 9.7279 9.7279 9.7509 9.7509 k = 0.3590 0.5329 0.3081 ( 11948 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0704 -3.0704 -3.0702 -3.0702 0.7371 0.7371 0.8595 0.8595 1.8567 1.8567 2.0659 2.0659 4.7274 4.7274 4.8215 4.8215 7.9141 7.9141 7.9228 7.9228 9.7145 9.7145 9.7398 9.7398 k = 0.3526 0.5440 0.3081 ( 11956 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0634 -3.0634 -3.0632 -3.0632 0.7425 0.7425 0.8718 0.8718 1.8160 1.8160 2.0318 2.0318 4.7369 4.7369 4.8305 4.8305 7.9081 7.9081 7.9168 7.9168 9.7020 9.7020 9.7288 9.7288 k = 0.3462 0.5551 0.3081 ( 11944 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0581 -3.0581 -3.0579 -3.0579 0.7459 0.7459 0.8804 0.8804 1.7868 1.7868 2.0076 2.0076 4.7440 4.7440 4.8372 4.8372 7.9032 7.9032 7.9118 7.9118 9.6924 9.6924 9.7200 9.7200 k = 0.3397 0.5662 0.3081 ( 11940 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0547 -3.0547 -3.0545 -3.0545 0.7475 0.7475 0.8853 0.8853 1.7694 1.7694 1.9932 1.9932 4.7483 4.7483 4.8414 4.8414 7.8999 7.8999 7.9084 7.9084 9.6863 9.6863 9.7145 9.7145 k = 0.3333 0.5774 0.3081 ( 11958 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0536 -3.0536 -3.0534 -3.0534 0.7479 0.7479 0.8867 0.8867 1.7637 1.7637 1.9886 1.9886 4.7498 4.7498 4.8428 4.8428 7.8987 7.8987 7.9071 7.9071 9.6843 9.6843 9.7126 9.7126 k = 0.3333 0.5774 0.3081 ( 11958 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0536 -3.0536 -3.0534 -3.0534 0.7479 0.7479 0.8867 0.8867 1.7637 1.7637 1.9886 1.9886 4.7498 4.7498 4.8428 4.8428 7.8987 7.8987 7.9071 7.9071 9.6843 9.6843 9.7126 9.7126 k = 0.3268 0.5660 0.3081 ( 11944 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0549 -3.0549 -3.0547 -3.0547 0.7478 0.7478 0.8856 0.8856 1.7693 1.7693 1.9932 1.9932 4.7482 4.7482 4.8413 4.8413 7.9001 7.9001 7.9086 7.9086 9.6864 9.6864 9.7145 9.7145 k = 0.3203 0.5547 0.3081 ( 11936 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0588 -3.0588 -3.0586 -3.0586 0.7480 0.7480 0.8831 0.8831 1.7856 1.7856 2.0069 2.0069 4.7434 4.7434 4.8366 4.8366 7.9047 7.9047 7.9136 7.9136 9.6924 9.6924 9.7202 9.7202 k = 0.3137 0.5434 0.3081 ( 11934 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0657 -3.0657 -3.0655 -3.0655 0.7496 0.7496 0.8807 0.8807 1.8111 1.8111 2.0287 2.0287 4.7352 4.7352 4.8287 4.8287 7.9129 7.9129 7.9225 7.9225 9.7020 9.7020 9.7291 9.7291 k = 0.3072 0.5321 0.3081 ( 11946 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0755 -3.0755 -3.0753 -3.0753 0.7534 0.7534 0.8797 0.8797 1.8448 1.8448 2.0580 2.0580 4.7237 4.7237 4.8176 4.8176 7.9250 7.9250 7.9358 7.9358 9.7146 9.7146 9.7410 9.7410 k = 0.3007 0.5207 0.3081 ( 11950 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0885 -3.0885 -3.0883 -3.0883 0.7603 0.7603 0.8814 0.8814 1.8855 1.8855 2.0939 2.0939 4.7088 4.7088 4.8032 4.8032 7.9416 7.9416 7.9537 7.9537 9.7297 9.7297 9.7550 9.7550 k = 0.2941 0.5094 0.3081 ( 11954 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1046 -3.1046 -3.1044 -3.1044 0.7711 0.7711 0.8870 0.8870 1.9321 1.9321 2.1359 2.1359 4.6907 4.6907 4.7857 4.7857 7.9628 7.9628 7.9765 7.9765 9.7464 9.7464 9.7704 9.7704 k = 0.2876 0.4981 0.3081 ( 11968 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1239 -3.1239 -3.1237 -3.1237 0.7863 0.7863 0.8971 0.8971 1.9837 1.9837 2.1831 2.1831 4.6695 4.6695 4.7651 4.7651 7.9888 7.9888 8.0042 8.0042 9.7637 9.7637 9.7861 9.7861 k = 0.2810 0.4868 0.3081 ( 11960 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1463 -3.1463 -3.1460 -3.1460 0.8066 0.8066 0.9126 0.9126 2.0398 2.0398 2.2352 2.2352 4.6453 4.6453 4.7417 4.7417 8.0197 8.0197 8.0371 8.0371 9.7804 9.7804 9.8011 9.8011 k = 0.2745 0.4755 0.3081 ( 11964 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.1717 -3.1717 -3.1714 -3.1714 0.8321 0.8321 0.9337 0.9337 2.0997 2.0997 2.2916 2.2916 4.6185 4.6185 4.7157 4.7157 8.0556 8.0556 8.0748 8.0748 9.7950 9.7950 9.8136 9.8136 k = 0.2680 0.4641 0.3081 ( 11972 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.2000 -3.2000 -3.1998 -3.1998 0.8632 0.8632 0.9608 0.9608 2.1629 2.1629 2.3518 2.3518 4.5892 4.5892 4.6873 4.6873 8.0963 8.0963 8.1175 8.1175 9.8056 9.8056 9.8219 9.8219 k = 0.2614 0.4528 0.3081 ( 11976 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.2311 -3.2311 -3.2308 -3.2308 0.9001 0.9001 0.9940 0.9940 2.2291 2.2291 2.4155 2.4155 4.5578 4.5578 4.6570 4.6570 8.1417 8.1417 8.1647 8.1647 9.8102 9.8102 9.8239 9.8239 k = 0.2549 0.4415 0.3081 ( 11972 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6506 -40.6506 -3.2647 -3.2647 -3.2643 -3.2643 0.9427 0.9427 1.0334 1.0334 2.2978 2.2978 2.4823 2.4823 4.5246 4.5246 4.6250 4.6250 8.1915 8.1915 8.2164 8.2164 9.8069 9.8069 9.8175 9.8175 k = 0.2484 0.4302 0.3081 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.3006 -3.3006 -3.3002 -3.3002 0.9910 0.9910 1.0789 1.0789 2.3689 2.3689 2.5520 2.5520 4.4901 4.4901 4.5917 4.5917 8.2453 8.2453 8.2720 8.2720 9.7943 9.7943 9.8016 9.8016 k = 0.2418 0.4189 0.3081 ( 11964 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.3385 -3.3385 -3.3381 -3.3381 1.0449 1.0449 1.1304 1.1304 2.4419 2.4419 2.6242 2.6242 4.4545 4.4545 4.5576 4.5576 8.3028 8.3028 8.3311 8.3311 9.7717 9.7717 9.7761 9.7761 k = 0.2353 0.4075 0.3081 ( 11960 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.3783 -3.3783 -3.3778 -3.3778 1.1043 1.1043 1.1877 1.1877 2.5166 2.5166 2.6986 2.6986 4.4184 4.4184 4.5230 4.5230 8.3634 8.3634 8.3932 8.3932 9.7380 9.7380 9.7439 9.7439 k = 0.2288 0.3962 0.3081 ( 11964 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.4196 -3.4196 -3.4191 -3.4191 1.1689 1.1689 1.2506 1.2506 2.5928 2.5928 2.7750 2.7750 4.3820 4.3820 4.4884 4.4884 8.4264 8.4264 8.4575 8.4575 9.6957 9.6957 9.7065 9.7065 k = 0.2222 0.3849 0.3081 ( 11956 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.4621 -3.4621 -3.4616 -3.4616 1.2386 1.2386 1.3189 1.3189 2.6701 2.6701 2.8531 2.8531 4.3460 4.3460 4.4544 4.4544 8.4910 8.4910 8.5231 8.5231 9.6483 9.6483 9.6649 9.6649 k = 0.2157 0.3736 0.3081 ( 11964 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.5057 -3.5057 -3.5052 -3.5052 1.3129 1.3129 1.3922 1.3922 2.7483 2.7483 2.9326 2.9326 4.3108 4.3108 4.4213 4.4213 8.5561 8.5561 8.5887 8.5887 9.5985 9.5985 9.6215 9.6215 k = 0.2092 0.3623 0.3081 ( 11964 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.5501 -3.5501 -3.5495 -3.5495 1.3917 1.3917 1.4702 1.4702 2.8270 2.8270 3.0131 3.0131 4.2770 4.2770 4.3899 4.3899 8.6202 8.6202 8.6529 8.6529 9.5483 9.5483 9.5786 9.5786 k = 0.2026 0.3509 0.3081 ( 11972 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.5950 -3.5950 -3.5944 -3.5944 1.4744 1.4744 1.5526 1.5526 2.9058 2.9058 3.0943 3.0943 4.2453 4.2453 4.3606 4.3606 8.6815 8.6815 8.7133 8.7133 9.5000 9.5000 9.5389 9.5389 k = 0.1961 0.3396 0.3081 ( 11980 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.6402 -3.6402 -3.6396 -3.6396 1.5608 1.5608 1.6390 1.6390 2.9843 2.9843 3.1756 3.1756 4.2163 4.2163 4.3342 4.3342 8.7375 8.7375 8.7674 8.7674 9.4555 9.4555 9.5048 9.5048 k = 0.1895 0.3283 0.3081 ( 11972 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.6854 -3.6854 -3.6848 -3.6848 1.6504 1.6504 1.7290 1.7290 3.0619 3.0619 3.2563 3.2563 4.1912 4.1912 4.3115 4.3115 8.7849 8.7849 8.8118 8.8118 9.4169 9.4169 9.4789 9.4789 k = 0.1830 0.3170 0.3081 ( 11970 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.7305 -3.7305 -3.7299 -3.7299 1.7427 1.7427 1.8220 1.8220 3.1380 3.1380 3.3358 3.3358 4.1709 4.1709 4.2934 4.2934 8.8200 8.8200 8.8435 8.8435 9.3859 9.3859 9.4628 9.4628 k = 0.1765 0.3057 0.3081 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.7754 -3.7754 -3.7748 -3.7748 1.8371 1.8371 1.9175 1.9175 3.2120 3.2120 3.4130 3.4130 4.1571 4.1571 4.2809 4.2809 8.8396 8.8396 8.8605 8.8605 9.3634 9.3634 9.4562 9.4562 k = 0.1699 0.2943 0.3081 ( 11978 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.8197 -3.8197 -3.8191 -3.8191 1.9329 1.9329 2.0149 2.0149 3.2831 3.2831 3.4866 3.4866 4.1514 4.1514 4.2752 4.2752 8.8428 8.8428 8.8628 8.8628 9.3478 9.3478 9.4553 9.4553 k = 0.1634 0.2830 0.3081 ( 11984 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.8634 -3.8634 -3.8628 -3.8628 2.0294 2.0294 2.1133 2.1133 3.3506 3.3506 3.5553 3.5553 4.1559 4.1559 4.2773 4.2773 8.8317 8.8317 8.8520 8.8520 9.3351 9.3351 9.4540 9.4540 k = 0.1569 0.2717 0.3081 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.9063 -3.9063 -3.9056 -3.9056 2.1255 2.1255 2.2118 2.2118 3.4140 3.4140 3.6177 3.6177 4.1725 4.1725 4.2886 4.2886 8.8100 8.8100 8.8309 8.8309 9.3206 9.3206 9.4461 9.4461 k = 0.1503 0.2604 0.3081 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.9482 -3.9482 -3.9476 -3.9476 2.2203 2.2203 2.3092 2.3092 3.4733 3.4733 3.6736 3.6736 4.2026 4.2026 4.3097 4.3097 8.7813 8.7813 8.8028 8.8028 9.3008 9.3008 9.4282 9.4282 k = 0.1438 0.2491 0.3081 ( 11984 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6508 -40.6508 -3.9891 -3.9891 -3.9885 -3.9885 2.3125 2.3125 2.4042 2.4042 3.5292 3.5292 3.7239 3.7239 4.2460 4.2460 4.3413 4.3413 8.7485 8.7485 8.7704 8.7704 9.2742 9.2742 9.4000 9.4000 k = 0.1373 0.2377 0.3081 ( 11984 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.0288 -4.0288 -4.0282 -4.0282 2.4007 2.4007 2.4950 2.4950 3.5830 3.5830 3.7710 3.7710 4.3013 4.3013 4.3832 4.3832 8.7134 8.7134 8.7357 8.7357 9.2414 9.2414 9.3635 9.3635 k = 0.1307 0.2264 0.3081 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.0672 -4.0672 -4.0666 -4.0666 2.4834 2.4834 2.5796 2.5796 3.6373 3.6373 3.8185 3.8185 4.3660 4.3660 4.4347 4.4347 8.6774 8.6774 8.7002 8.7002 9.2034 9.2034 9.3209 9.3209 k = 0.1242 0.2151 0.3081 ( 11996 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.1042 -4.1042 -4.1036 -4.1036 2.5591 2.5591 2.6562 2.6562 3.6949 3.6949 3.8697 3.8697 4.4373 4.4373 4.4949 4.4949 8.6416 8.6416 8.6649 8.6649 9.1616 9.1616 9.2743 9.2743 k = 0.1176 0.2038 0.3081 ( 12008 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.1397 -4.1397 -4.1392 -4.1392 2.6266 2.6266 2.7230 2.7230 3.7587 3.7587 3.9275 3.9275 4.5129 4.5129 4.5623 4.5623 8.6065 8.6065 8.6305 8.6305 9.1171 9.1171 9.2252 9.2252 k = 0.1111 0.1925 0.3081 ( 12004 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.1738 -4.1738 -4.1732 -4.1732 2.6850 2.6850 2.7789 2.7789 3.8310 3.8310 3.9936 3.9936 4.5911 4.5911 4.6356 4.6356 8.5728 8.5728 8.5975 8.5975 9.0711 9.0711 9.1746 9.1746 k = 0.1046 0.1811 0.3081 ( 12014 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.2061 -4.2061 -4.2056 -4.2056 2.7340 2.7340 2.8234 2.8234 3.9131 3.9131 4.0691 4.0691 4.6707 4.6707 4.7132 4.7132 8.5408 8.5408 8.5663 8.5663 9.0242 9.0242 9.1233 9.1233 k = 0.0980 0.1698 0.3081 ( 12004 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6509 -40.6509 -4.2368 -4.2368 -4.2363 -4.2363 2.7738 2.7738 2.8573 2.8573 4.0051 4.0051 4.1539 4.1539 4.7511 4.7511 4.7933 4.7933 8.5108 8.5108 8.5371 8.5371 8.9769 8.9769 9.0718 9.0718 k = 0.0915 0.1585 0.3081 ( 11996 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.2658 -4.2658 -4.2653 -4.2653 2.8052 2.8052 2.8817 2.8817 4.1059 4.1059 4.2473 4.2473 4.8317 4.8317 4.8745 4.8745 8.4831 8.4831 8.5102 8.5102 8.9298 8.9298 9.0204 9.0204 k = 0.0850 0.1472 0.3081 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.2930 -4.2930 -4.2925 -4.2925 2.8292 2.8292 2.8983 2.8983 4.2142 4.2142 4.3479 4.3479 4.9121 4.9121 4.9558 4.9558 8.4579 8.4579 8.4858 8.4858 8.8831 8.8831 8.9695 8.9695 k = 0.0784 0.1358 0.3081 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.3183 -4.3183 -4.3179 -4.3179 2.8470 2.8470 2.9087 2.9087 4.3279 4.3279 4.4541 4.4541 4.9920 4.9920 5.0361 5.0361 8.4354 8.4354 8.4641 8.4641 8.8372 8.8372 8.9192 8.9192 k = 0.0719 0.1245 0.3081 ( 11996 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.3417 -4.3417 -4.3413 -4.3413 2.8599 2.8599 2.9143 2.9143 4.4452 4.4452 4.5638 4.5638 5.0709 5.0709 5.1146 5.1146 8.4159 8.4159 8.4452 8.4452 8.7923 8.7923 8.8696 8.8696 k = 0.0654 0.1132 0.3081 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.3632 -4.3632 -4.3629 -4.3629 2.8688 2.8688 2.9165 2.9165 4.5640 4.5640 4.6749 4.6749 5.1485 5.1485 5.1909 5.1909 8.3995 8.3995 8.4293 8.4293 8.7485 8.7485 8.8211 8.8211 k = 0.0588 0.1019 0.3081 ( 11984 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.3828 -4.3828 -4.3825 -4.3825 2.8748 2.8748 2.9162 2.9162 4.6820 4.6820 4.7850 4.7850 5.2245 5.2245 5.2645 5.2645 8.3863 8.3863 8.4166 8.4166 8.7062 8.7062 8.7737 8.7737 k = 0.0523 0.0906 0.3081 ( 11996 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4004 -4.4004 -4.4001 -4.4001 2.8786 2.8786 2.9142 2.9142 4.7970 4.7970 4.8913 4.8913 5.2989 5.2989 5.3351 5.3351 8.3764 8.3764 8.4072 8.4072 8.6655 8.6655 8.7275 8.7275 k = 0.0458 0.0792 0.3081 ( 11996 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4159 -4.4159 -4.4157 -4.4157 2.8809 2.8809 2.9111 2.9111 4.9065 4.9065 4.9911 4.9911 5.3713 5.3713 5.4024 5.4024 8.3701 8.3701 8.4013 8.4013 8.6267 8.6267 8.6829 8.6829 k = 0.0392 0.0679 0.3081 ( 11996 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4294 -4.4294 -4.4292 -4.4292 2.8823 2.8823 2.9075 2.9075 5.0077 5.0077 5.0813 5.0813 5.4416 5.4416 5.4662 5.4662 8.3674 8.3674 8.3992 8.3992 8.5899 8.5899 8.6401 8.6401 k = 0.0327 0.0566 0.3081 ( 11984 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4409 -4.4409 -4.4407 -4.4407 2.8831 2.8831 2.9036 2.9036 5.0978 5.0978 5.1593 5.1593 5.5086 5.5086 5.5261 5.5261 8.3683 8.3683 8.4012 8.4012 8.5553 8.5553 8.5993 8.5993 k = 0.0261 0.0453 0.3081 ( 11986 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4503 -4.4503 -4.4502 -4.4502 2.8837 2.8837 2.8997 2.8997 5.1745 5.1745 5.2231 5.2231 5.5704 5.5704 5.5810 5.5810 8.3727 8.3727 8.4075 8.4075 8.5232 8.5232 8.5613 8.5613 k = 0.0196 0.0340 0.3081 ( 11990 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4576 -4.4576 -4.4575 -4.4575 2.8843 2.8843 2.8961 2.8961 5.2360 5.2360 5.2717 5.2717 5.6239 5.6239 5.6290 5.6290 8.3806 8.3806 8.4184 8.4184 8.4938 8.4938 8.5275 8.5275 k = 0.0131 0.0226 0.3081 ( 11980 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4629 -4.4629 -4.4628 -4.4628 2.8851 2.8851 2.8929 2.8929 5.2815 5.2815 5.3047 5.3047 5.6654 5.6654 5.6671 5.6671 8.3918 8.3918 8.4343 8.4343 8.4677 8.4677 8.5009 8.5009 k = 0.0065 0.0113 0.3081 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4660 -4.4660 -4.4660 -4.4660 2.8863 2.8863 2.8902 2.8902 5.3108 5.3108 5.3222 5.3222 5.6917 5.6917 5.6919 5.6919 8.4057 8.4057 8.4397 8.4397 8.4618 8.4618 8.4869 8.4869 k = 0.0000 0.0000 0.3081 ( 11946 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6510 -40.6510 -4.4670 -4.4670 -4.4670 -4.4670 2.8880 2.8880 2.8880 2.8880 5.3243 5.3243 5.3243 5.3243 5.7007 5.7007 5.7007 5.7007 8.4219 8.4219 8.4219 8.4219 8.4905 8.4905 8.4905 8.4905 k = 0.5000 0.2887 0.3081 ( 11980 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6507 -40.6507 -3.2626 -3.2626 -3.2626 -3.2626 0.5094 0.5094 0.5094 0.5094 3.7250 3.7250 3.7250 3.7250 4.2353 4.2353 4.2353 4.2353 7.6739 7.6739 7.6739 7.6739 8.0888 8.0888 8.0888 8.0888 k = 0.5000 0.2887 0.2953 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6506 -40.6506 -3.2870 -3.2870 -3.2381 -3.2381 0.4897 0.4897 0.5324 0.5324 3.6710 3.6710 3.7783 3.7783 4.1505 4.1505 4.3137 4.3137 7.6574 7.6574 7.6773 7.6773 8.0473 8.0473 8.1587 8.1587 k = 0.5000 0.2887 0.2824 ( 11958 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6505 -40.6505 -3.3113 -3.3113 -3.2138 -3.2138 0.4735 0.4735 0.5584 0.5584 3.6169 3.6169 3.8279 3.8279 4.0639 4.0639 4.3833 4.3833 7.6326 7.6326 7.6664 7.6664 8.0367 8.0367 8.2507 8.2507 k = 0.5000 0.2887 0.2696 ( 11952 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6504 -40.6504 -3.3353 -3.3353 -3.1897 -3.1897 0.4607 0.4607 0.5872 0.5872 3.5627 3.5627 3.8586 3.8586 3.9925 3.9925 4.4424 4.4424 7.6037 7.6037 7.6471 7.6471 8.0525 8.0525 8.3594 8.3594 k = 0.5000 0.2887 0.2568 ( 11958 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6504 -40.6504 -3.3589 -3.3589 -3.1659 -3.1659 0.4515 0.4515 0.6187 0.6187 3.5078 3.5078 3.8188 3.8188 3.9896 3.9896 4.4898 4.4898 7.5729 7.5729 7.6282 7.6282 8.0868 8.0868 8.4811 8.4811 k = 0.5000 0.2887 0.2439 ( 11958 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6503 -40.6503 -3.3821 -3.3821 -3.1426 -3.1426 0.4460 0.4460 0.6527 0.6527 3.4510 3.4510 3.7328 3.7328 4.0330 4.0330 4.5247 4.5247 7.5419 7.5419 7.6163 7.6163 8.1338 8.1338 8.6132 8.6132 k = 0.5000 0.2887 0.2311 ( 11962 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6511 -40.6511 -40.6502 -40.6502 -3.4047 -3.4047 -3.1198 -3.1198 0.4443 0.4443 0.6888 0.6888 3.3904 3.3904 3.6411 3.6411 4.0850 4.0850 4.5474 4.5474 7.5113 7.5113 7.6147 7.6147 8.1902 8.1902 8.7540 8.7540 k = 0.5000 0.2887 0.2182 ( 11972 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6511 -40.6511 -40.6502 -40.6502 -3.4266 -3.4266 -3.0977 -3.0977 0.4464 0.4464 0.7270 0.7270 3.3226 3.3226 3.5546 3.5546 4.1378 4.1378 4.5586 4.5586 7.4817 7.4817 7.6247 7.6247 8.2546 8.2546 8.9021 8.9021 k = 0.5000 0.2887 0.2054 ( 11968 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6512 -40.6512 -40.6501 -40.6501 -3.4478 -3.4478 -3.0765 -3.0765 0.4524 0.4524 0.7668 0.7668 3.2446 3.2446 3.4790 3.4790 4.1882 4.1882 4.5605 4.5605 7.4533 7.4533 7.6458 7.6458 8.3262 8.3262 9.0563 9.0563 k = 0.5000 0.2887 0.1926 ( 11976 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6513 -40.6513 -40.6501 -40.6501 -3.4680 -3.4680 -3.0561 -3.0561 0.4621 0.4621 0.8079 0.8079 3.1560 3.1560 3.4159 3.4159 4.2330 4.2330 4.5568 4.5568 7.4262 7.4262 7.6766 7.6766 8.4050 8.4050 9.2157 9.2157 k = 0.5000 0.2887 0.1797 ( 11986 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6513 -40.6513 -40.6500 -40.6500 -3.4874 -3.4874 -3.0367 -3.0367 0.4755 0.4755 0.8500 0.8500 3.0596 3.0596 3.3636 3.3636 4.2672 4.2672 4.5536 4.5536 7.4008 7.4008 7.7152 7.7152 8.4910 8.4910 9.3791 9.3791 k = 0.5000 0.2887 0.1669 ( 11986 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6514 -40.6514 -40.6499 -40.6499 -3.5057 -3.5057 -3.0184 -3.0184 0.4926 0.4926 0.8928 0.8928 2.9589 2.9589 3.3193 3.3193 4.2841 4.2841 4.5589 4.5589 7.3769 7.3769 7.7595 7.7595 8.5842 8.5842 9.5442 9.5442 k = 0.5000 0.2887 0.1541 ( 11982 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6514 -40.6514 -40.6499 -40.6499 -3.5229 -3.5229 -3.0012 -3.0012 0.5130 0.5130 0.9358 0.9358 2.8567 2.8567 3.2810 3.2810 4.2796 4.2796 4.5783 4.5783 7.3546 7.3546 7.8072 7.8072 8.6846 8.6846 9.5600 9.5600 k = 0.5000 0.2887 0.1412 ( 11984 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6515 -40.6515 -40.6499 -40.6499 -3.5390 -3.5390 -2.9853 -2.9853 0.5367 0.5367 0.9786 0.9786 2.7550 2.7550 3.2473 3.2473 4.2564 4.2564 4.6104 4.6104 7.3341 7.3341 7.8564 7.8564 8.7916 8.7916 9.4485 9.4485 k = 0.5000 0.2887 0.1284 ( 11990 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6515 -40.6515 -40.6498 -40.6498 -3.5539 -3.5539 -2.9706 -2.9706 0.5631 0.5631 1.0206 1.0206 2.6555 2.6555 3.2175 3.2175 4.2209 4.2209 4.6502 4.6502 7.3152 7.3152 7.9054 7.9054 8.9045 8.9045 9.3429 9.3429 k = 0.5000 0.2887 0.1155 ( 11988 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6516 -40.6516 -40.6498 -40.6498 -3.5675 -3.5675 -2.9572 -2.9572 0.5920 0.5920 1.0613 1.0613 2.5593 2.5593 3.1911 3.1911 4.1788 4.1788 4.6930 4.6930 7.2982 7.2982 7.9527 7.9527 9.0204 9.0204 9.2470 9.2470 k = 0.5000 0.2887 0.1027 ( 11996 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6516 -40.6516 -40.6497 -40.6497 -3.5798 -3.5798 -2.9451 -2.9451 0.6227 0.6227 1.1001 1.1001 2.4675 2.4675 3.1679 3.1679 4.1340 4.1340 4.7360 4.7360 7.2829 7.2829 7.9973 7.9973 9.1093 9.1093 9.1905 9.1905 k = 0.5000 0.2887 0.0899 ( 12000 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6516 -40.6516 -40.6497 -40.6497 -3.5907 -3.5907 -2.9344 -2.9344 0.6544 0.6544 1.1363 1.1363 2.3813 2.3813 3.1476 3.1476 4.0893 4.0893 4.7772 4.7772 7.2693 7.2693 8.0384 8.0384 9.0574 9.0574 9.2867 9.2867 k = 0.5000 0.2887 0.0770 ( 12002 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6497 -40.6497 -3.6003 -3.6003 -2.9251 -2.9251 0.6864 0.6864 1.1694 1.1694 2.3019 2.3019 3.1303 3.1303 4.0467 4.0467 4.8153 4.8153 7.2576 7.2576 8.0752 8.0752 8.9872 8.9872 9.4121 9.4121 k = 0.5000 0.2887 0.0642 ( 12002 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6085 -3.6085 -2.9173 -2.9173 0.7173 0.7173 1.1987 1.1987 2.2306 2.2306 3.1157 3.1157 4.0079 4.0079 4.8494 4.8494 7.2477 7.2477 8.1073 8.1073 8.9247 8.9247 9.5395 9.5395 k = 0.5000 0.2887 0.0514 ( 12004 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6152 -3.6152 -2.9108 -2.9108 0.7460 0.7460 1.2236 1.2236 2.1690 2.1690 3.1038 3.1038 3.9743 3.9743 4.8784 4.8784 7.2395 7.2395 8.1342 8.1342 8.8721 8.8721 9.6651 9.6651 k = 0.5000 0.2887 0.0385 ( 12008 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6204 -3.6204 -2.9058 -2.9058 0.7707 0.7707 1.2434 1.2434 2.1186 2.1186 3.0946 3.0946 3.9469 3.9469 4.9017 4.9017 7.2332 7.2332 8.1555 8.1555 8.8304 8.8304 9.7855 9.7855 k = 0.5000 0.2887 0.0257 ( 12000 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6241 -3.6241 -2.9022 -2.9022 0.7900 0.7900 1.2579 1.2579 2.0811 2.0811 3.0881 3.0881 3.9267 3.9267 4.9188 4.9188 7.2286 7.2286 8.1709 8.1709 8.8002 8.8002 9.8952 9.8952 k = 0.5000 0.2887 0.0128 ( 12022 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6264 -3.6264 -2.9000 -2.9000 0.8022 0.8022 1.2667 1.2667 2.0579 2.0579 3.0842 3.0842 3.9143 3.9143 4.9293 4.9293 7.2259 7.2259 8.1802 8.1802 8.7819 8.7819 9.9818 9.9818 k = 0.5000 0.2887-0.0000 ( 12006 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6496 -40.6496 -3.6271 -3.6271 -2.8993 -2.8993 0.8065 0.8065 1.2697 1.2697 2.0501 2.0501 3.0829 3.0829 3.9101 3.9101 4.9328 4.9328 7.2250 7.2250 8.1834 8.1834 8.7758 8.7758 10.0182 10.0182 k = 0.3333 0.5774-0.0000 ( 11961 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.1082 -3.1080 -3.1045 -3.1045 1.3485 1.3485 1.4637 1.5790 1.7173 1.7173 2.5637 2.5637 2.9017 3.0331 3.0331 3.0790 7.7493 7.7493 10.7190 10.7223 10.7223 10.7278 11.2685 11.5111 k = 0.3333 0.5774 0.0128 ( 11928 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.1080 -3.1077 -3.1043 -3.1043 1.3493 1.3493 1.4586 1.5724 1.7108 1.7108 2.5626 2.5626 2.9112 3.0421 3.0421 3.0870 7.7534 7.7534 10.7077 10.7101 10.7101 10.7150 11.2505 11.4883 k = 0.3333 0.5774 0.0257 ( 11928 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6517 -40.6517 -40.6495 -40.6495 -3.1073 -3.1071 -3.1036 -3.1036 1.3516 1.3516 1.4435 1.5530 1.6916 1.6916 2.5591 2.5591 2.9391 3.0685 3.0685 3.1106 7.7656 7.7656 10.6719 10.6719 10.6721 10.6742 11.2063 11.4318 k = 0.3333 0.5774 0.0385 ( 11946 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6516 -40.6516 -40.6496 -40.6496 -3.1062 -3.1060 -3.1026 -3.1026 1.3554 1.3554 1.4194 1.5226 1.6616 1.6616 2.5526 2.5526 2.9838 3.1111 3.1111 3.1489 7.7859 7.7859 10.6002 10.6048 10.6048 10.6088 11.1568 11.3654 k = 0.3333 0.5774 0.0514 ( 11946 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6516 -40.6516 -40.6496 -40.6496 -3.1047 -3.1045 -3.1012 -3.1012 1.3605 1.3605 1.3877 1.4833 1.6235 1.6235 2.5428 2.5428 3.0431 3.1682 3.1682 3.2004 7.8142 7.8142 10.4922 10.5073 10.5073 10.5153 11.1177 11.3071 k = 0.3333 0.5774 0.0642 ( 11949 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6516 -40.6516 -40.6496 -40.6496 -3.1028 -3.1025 -3.0994 -3.0994 1.3499 1.3662 1.3662 1.4374 1.5799 1.5799 2.5294 2.5294 3.1144 3.2377 3.2377 3.2634 7.8504 7.8504 10.3559 10.3823 10.3823 10.3934 11.0930 11.2641 k = 0.3333 0.5774 0.0770 ( 11940 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6516 -40.6516 -40.6496 -40.6496 -3.1005 -3.1003 -3.0972 -3.0972 1.3077 1.3715 1.3715 1.3870 1.5343 1.5343 2.5125 2.5125 3.1957 3.3174 3.3174 3.3362 7.8942 7.8942 10.2004 10.2363 10.2363 10.2490 11.0803 11.2362 k = 0.3333 0.5774 0.0899 ( 11940 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6516 -40.6516 -40.6496 -40.6496 -3.0979 -3.0977 -3.0948 -3.0948 1.2625 1.3340 1.3727 1.3727 1.4920 1.4920 2.4922 2.4922 3.2850 3.4054 3.4054 3.4174 7.9454 7.9454 10.0332 10.0760 10.0760 10.0893 11.0761 11.2200 k = 0.3333 0.5774 0.1027 ( 11943 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6515 -40.6515 -40.6497 -40.6497 -3.0950 -3.0948 -3.0921 -3.0921 1.2154 1.2796 1.3610 1.3610 1.4633 1.4633 2.4689 2.4689 3.3807 3.5000 3.5000 3.5053 8.0038 8.0038 9.8595 9.9071 9.9071 9.9202 11.0777 11.2123 k = 0.3333 0.5774 0.1155 ( 11937 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6515 -40.6515 -40.6497 -40.6497 -3.0918 -3.0916 -3.0891 -3.0891 1.1678 1.2252 1.3291 1.3291 1.4565 1.4565 2.4428 2.4428 3.4814 3.5986 3.5999 3.5999 8.0692 8.0692 9.6831 9.7336 9.7336 9.7462 11.0835 11.2107 k = 0.3333 0.5774 0.1284 ( 11928 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6514 -40.6514 -40.6497 -40.6497 -3.0885 -3.0883 -3.0860 -3.0860 1.1204 1.1716 1.2854 1.2854 1.4642 1.4642 2.4143 2.4143 3.5859 3.6962 3.7038 3.7038 8.1412 8.1412 9.5062 9.5584 9.5584 9.5704 11.0924 11.2116 k = 0.3333 0.5774 0.1412 ( 11949 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6514 -40.6514 -40.6498 -40.6498 -3.0850 -3.0849 -3.0827 -3.0827 1.0739 1.1196 1.2383 1.2383 1.4784 1.4784 2.3836 2.3836 3.6931 3.7969 3.8104 3.8104 8.2196 8.2196 9.3309 9.3837 9.3837 9.3951 11.1036 11.2154 k = 0.3333 0.5774 0.1541 ( 11961 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6514 -40.6514 -40.6498 -40.6498 -3.0815 -3.0813 -3.0794 -3.0794 1.0291 1.0696 1.1915 1.1915 1.4963 1.4963 2.3512 2.3512 3.8020 3.8995 3.9189 3.9189 8.3042 8.3042 9.1586 9.2113 9.2113 9.2220 11.1166 11.2217 k = 0.3333 0.5774 0.1669 ( 11955 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6513 -40.6513 -40.6499 -40.6499 -3.0779 -3.0778 -3.0761 -3.0761 0.9865 1.0223 1.1464 1.1464 1.5166 1.5166 2.3173 2.3173 3.9115 4.0030 4.0280 4.0280 8.3945 8.3945 8.9908 9.0426 9.0426 9.0528 11.1311 11.2298 k = 0.3333 0.5774 0.1797 ( 11949 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6513 -40.6513 -40.6499 -40.6499 -3.0744 -3.0742 -3.0728 -3.0728 0.9464 0.9779 1.1038 1.1038 1.5389 1.5389 2.2823 2.2823 4.0207 4.1061 4.1367 4.1367 8.4903 8.4903 8.8287 8.8793 8.8793 8.8888 11.1422 11.1422 k = 0.3333 0.5774 0.1926 ( 11949 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6512 -40.6512 -40.6500 -40.6500 -3.0709 -3.0708 -3.0696 -3.0696 0.9094 0.9369 1.0643 1.0643 1.5627 1.5627 2.2464 2.2464 4.1282 4.2075 4.2438 4.2438 8.5905 8.5905 8.6738 8.7234 8.7234 8.7313 11.0016 11.0016 k = 0.3333 0.5774 0.2054 ( 11964 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6511 -40.6511 -40.6501 -40.6501 -3.0677 -3.0676 -3.0665 -3.0665 0.8756 0.8994 1.0281 1.0281 1.5879 1.5879 2.2101 2.2101 4.2328 4.3057 4.3478 4.3478 8.5275 8.5710 8.5710 8.5819 8.7003 8.7003 10.8570 10.8570 k = 0.3333 0.5774 0.2182 ( 11955 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6511 -40.6511 -40.6501 -40.6501 -3.0646 -3.0646 -3.0637 -3.0637 0.8454 0.8657 0.9958 0.9958 1.6142 1.6142 2.1736 2.1736 4.3331 4.3992 4.4472 4.4472 8.3916 8.4330 8.4330 8.4421 8.8102 8.8102 10.7106 10.7106 k = 0.3333 0.5774 0.2311 ( 11955 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6510 -40.6510 -40.6502 -40.6502 -3.0619 -3.0618 -3.0611 -3.0611 0.8189 0.8360 0.9673 0.9673 1.6412 1.6412 2.1376 2.1376 4.4272 4.4861 4.5402 4.5402 8.2677 8.3056 8.3056 8.3136 8.9255 8.9255 10.5634 10.5634 k = 0.3333 0.5774 0.2439 ( 11949 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6503 -40.6503 -3.0595 -3.0594 -3.0588 -3.0588 0.7964 0.8104 0.9429 0.9429 1.6684 1.6684 2.1024 2.1024 4.5134 4.5643 4.6248 4.6248 8.1582 8.1918 8.1918 8.1985 9.0451 9.0451 10.4162 10.4162 k = 0.3333 0.5774 0.2568 ( 11937 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6509 -40.6509 -40.6503 -40.6503 -3.0574 -3.0573 -3.0569 -3.0569 0.7781 0.7891 0.9229 0.9229 1.6952 1.6952 2.0690 2.0690 4.5894 4.6316 4.6987 4.6987 8.0650 8.0940 8.0940 8.0989 9.1688 9.1688 10.2696 10.2696 k = 0.3333 0.5774 0.2696 ( 11967 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6508 -40.6508 -40.6504 -40.6504 -3.0558 -3.0557 -3.0554 -3.0554 0.7639 0.7721 0.9071 0.9071 1.7205 1.7205 2.0385 2.0385 4.6531 4.6857 4.7595 4.7595 7.9906 8.0144 8.0144 8.0171 9.2962 9.2962 10.1242 10.1242 k = 0.3333 0.5774 0.2824 ( 11952 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6505 -40.6505 -3.0546 -3.0545 -3.0543 -3.0543 0.7541 0.7596 0.8958 0.8958 1.7424 1.7424 2.0129 2.0129 4.7022 4.7245 4.8050 4.8050 7.9370 7.9553 7.9556 7.9556 9.4270 9.4270 9.9804 9.9804 k = 0.3333 0.5774 0.2953 ( 11967 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6507 -40.6507 -40.6505 -40.6505 -3.0538 -3.0538 -3.0536 -3.0536 0.7488 0.7515 0.8889 0.8889 1.7579 1.7579 1.9951 1.9951 4.7349 4.7462 4.8332 4.8332 7.9060 7.9153 7.9193 7.9193 9.5607 9.5607 9.8388 9.8388 k = 0.3333 0.5774 0.3081 ( 11958 PWs) bands (ev): -94.8005 -94.8005 -94.8005 -94.8005 -40.6506 -40.6506 -40.6506 -40.6506 -3.0536 -3.0536 -3.0534 -3.0534 0.7479 0.7479 0.8867 0.8867 1.7637 1.7637 1.9886 1.9886 4.7498 4.7498 4.8428 4.8428 7.8987 7.8987 7.9071 7.9071 9.6843 9.6843 9.7126 9.7126 Writing output data file LiBeSb.save init_run : 4.10s CPU 10.74s WALL ( 1 calls) electrons : 641.13s CPU 647.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.82s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 641.11s CPU 647.70s WALL ( 1 calls) v_of_rho : 0.26s CPU 0.80s WALL ( 1 calls) v_h : 0.04s CPU 0.06s WALL ( 1 calls) v_xc : 0.21s CPU 0.64s WALL ( 1 calls) newd : 0.82s CPU 0.88s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.29s WALL ( 323 calls) cegterg : 574.20s CPU 577.86s WALL ( 686 calls) Called by sum_band: Called by *egterg: h_psi : 416.73s CPU 423.83s WALL ( 11563 calls) s_psi : 26.59s CPU 26.81s WALL ( 11563 calls) g_psi : 1.27s CPU 1.32s WALL ( 10554 calls) cdiaghg : 77.11s CPU 75.16s WALL ( 10877 calls) cegterg:over : 41.99s CPU 39.10s WALL ( 10554 calls) cegterg:upda : 14.05s CPU 17.63s WALL ( 10554 calls) cegterg:last : 12.49s CPU 13.43s WALL ( 2132 calls) Called by h_psi: h_psi:vloc : 354.32s CPU 359.69s WALL ( 11563 calls) h_psi:vnl : 61.72s CPU 62.91s WALL ( 11563 calls) add_vuspsi : 20.26s CPU 24.05s WALL ( 11563 calls) General routines calbec : 41.40s CPU 38.74s WALL ( 11563 calls) fft : 0.69s CPU 1.62s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 325.57s CPU 328.13s WALL ( 843544 calls) interpolate : 0.28s CPU 0.31s WALL ( 4 calls) davcio : 0.05s CPU 1.85s WALL ( 646 calls) Parallel routines fft_scatter : 198.79s CPU 198.17s WALL ( 843567 calls) PWSCF : 11m47.50s CPU 14m57.77s WALL This run was terminated on: 20:50:39 18Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=