Program PWSCF v.5.1.1 starts on 12Oct2015 at 0:36:16 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 6136 1992 296 Max 77 37 12 6149 2017 300 Sum 3679 1759 499 294929 96113 14269 bravais-lattice index = 14 lattice parameter (alat) = 7.8499 a.u. unit-cell volume = 679.6035 (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)= 7.849922 celldm(2)= 1.000000 celldm(3)= 1.622292 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 1.622292 ) 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 0.616412 ) 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 ) ( 0.8111459 ) 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 ) ( 0.8111459 ) 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 ) ( 0.8111459 ) 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 ) ( 0.8111459 ) 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 ) ( 0.8111459 ) 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 ) ( 0.8111459 ) 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 0.0128419), wk = 0.0030960 k( 127) = ( 0.0000000 0.0000000 0.0256838), wk = 0.0030960 k( 128) = ( 0.0000000 0.0000000 0.0385257), wk = 0.0030960 k( 129) = ( 0.0000000 0.0000000 0.0513677), wk = 0.0030960 k( 130) = ( 0.0000000 0.0000000 0.0642096), wk = 0.0030960 k( 131) = ( 0.0000000 0.0000000 0.0770515), wk = 0.0030960 k( 132) = ( 0.0000000 0.0000000 0.0898934), wk = 0.0030960 k( 133) = ( 0.0000000 0.0000000 0.1027353), wk = 0.0030960 k( 134) = ( 0.0000000 0.0000000 0.1155772), wk = 0.0030960 k( 135) = ( 0.0000000 0.0000000 0.1284192), wk = 0.0030960 k( 136) = ( 0.0000000 0.0000000 0.1412611), wk = 0.0030960 k( 137) = ( 0.0000000 0.0000000 0.1541030), wk = 0.0030960 k( 138) = ( 0.0000000 0.0000000 0.1669449), wk = 0.0030960 k( 139) = ( 0.0000000 0.0000000 0.1797868), wk = 0.0030960 k( 140) = ( 0.0000000 0.0000000 0.1926287), wk = 0.0030960 k( 141) = ( 0.0000000 0.0000000 0.2054706), wk = 0.0030960 k( 142) = ( 0.0000000 0.0000000 0.2183126), wk = 0.0030960 k( 143) = ( 0.0000000 0.0000000 0.2311545), wk = 0.0030960 k( 144) = ( 0.0000000 0.0000000 0.2439964), wk = 0.0030960 k( 145) = ( 0.0000000 0.0000000 0.2568383), wk = 0.0030960 k( 146) = ( 0.0000000 0.0000000 0.2696802), wk = 0.0030960 k( 147) = ( 0.0000000 0.0000000 0.2825221), wk = 0.0030960 k( 148) = ( 0.0000000 0.0000000 0.2953641), wk = 0.0030960 k( 149) = ( 0.0000000 0.0000000 0.3082060), wk = 0.0030960 k( 150) = ( 0.0000000 0.0000000 0.3082060), wk = 0.0030960 k( 151) = ( 0.0113636 0.0065608 0.3082060), wk = 0.0030960 k( 152) = ( 0.0227273 0.0131216 0.3082060), wk = 0.0030960 k( 153) = ( 0.0340909 0.0196824 0.3082060), wk = 0.0030960 k( 154) = ( 0.0454546 0.0262432 0.3082060), wk = 0.0030960 k( 155) = ( 0.0568182 0.0328040 0.3082060), wk = 0.0030960 k( 156) = ( 0.0681818 0.0393648 0.3082060), wk = 0.0030960 k( 157) = ( 0.0795455 0.0459256 0.3082060), wk = 0.0030960 k( 158) = ( 0.0909091 0.0524864 0.3082060), wk = 0.0030960 k( 159) = ( 0.1022727 0.0590472 0.3082060), wk = 0.0030960 k( 160) = ( 0.1136364 0.0656080 0.3082060), wk = 0.0030960 k( 161) = ( 0.1250000 0.0721688 0.3082060), wk = 0.0030960 k( 162) = ( 0.1363636 0.0787296 0.3082060), wk = 0.0030960 k( 163) = ( 0.1477273 0.0852904 0.3082060), wk = 0.0030960 k( 164) = ( 0.1590909 0.0918512 0.3082060), wk = 0.0030960 k( 165) = ( 0.1704546 0.0984120 0.3082060), wk = 0.0030960 k( 166) = ( 0.1818182 0.1049728 0.3082060), wk = 0.0030960 k( 167) = ( 0.1931818 0.1115336 0.3082060), wk = 0.0030960 k( 168) = ( 0.2045454 0.1180944 0.3082060), wk = 0.0030960 k( 169) = ( 0.2159091 0.1246552 0.3082060), wk = 0.0030960 k( 170) = ( 0.2272727 0.1312160 0.3082060), wk = 0.0030960 k( 171) = ( 0.2386364 0.1377768 0.3082060), wk = 0.0030960 k( 172) = ( 0.2500000 0.1443376 0.3082060), wk = 0.0030960 k( 173) = ( 0.2613636 0.1508984 0.3082060), wk = 0.0030960 k( 174) = ( 0.2727273 0.1574592 0.3082060), wk = 0.0030960 k( 175) = ( 0.2840909 0.1640200 0.3082060), wk = 0.0030960 k( 176) = ( 0.2954545 0.1705808 0.3082060), wk = 0.0030960 k( 177) = ( 0.3068182 0.1771416 0.3082060), wk = 0.0030960 k( 178) = ( 0.3181818 0.1837024 0.3082060), wk = 0.0030960 k( 179) = ( 0.3295455 0.1902632 0.3082060), wk = 0.0030960 k( 180) = ( 0.3409091 0.1968240 0.3082060), wk = 0.0030960 k( 181) = ( 0.3522727 0.2033848 0.3082060), wk = 0.0030960 k( 182) = ( 0.3636364 0.2099456 0.3082060), wk = 0.0030960 k( 183) = ( 0.3750000 0.2165064 0.3082060), wk = 0.0030960 k( 184) = ( 0.3863636 0.2230672 0.3082060), wk = 0.0030960 k( 185) = ( 0.3977273 0.2296279 0.3082060), wk = 0.0030960 k( 186) = ( 0.4090909 0.2361887 0.3082060), wk = 0.0030960 k( 187) = ( 0.4204545 0.2427495 0.3082060), wk = 0.0030960 k( 188) = ( 0.4318182 0.2493103 0.3082060), wk = 0.0030960 k( 189) = ( 0.4431818 0.2558711 0.3082060), wk = 0.0030960 k( 190) = ( 0.4545455 0.2624319 0.3082060), wk = 0.0030960 k( 191) = ( 0.4659091 0.2689927 0.3082060), wk = 0.0030960 k( 192) = ( 0.4772727 0.2755535 0.3082060), wk = 0.0030960 k( 193) = ( 0.4886364 0.2821143 0.3082060), wk = 0.0030960 k( 194) = ( 0.5000000 0.2886751 0.3082060), wk = 0.0030960 k( 195) = ( 0.5000000 0.2886751 0.3082060), wk = 0.0030960 k( 196) = ( 0.4935897 0.2997780 0.3082060), wk = 0.0030960 k( 197) = ( 0.4871795 0.3108809 0.3082060), wk = 0.0030960 k( 198) = ( 0.4807692 0.3219838 0.3082060), wk = 0.0030960 k( 199) = ( 0.4743590 0.3330867 0.3082060), wk = 0.0030960 k( 200) = ( 0.4679487 0.3441896 0.3082060), wk = 0.0030960 k( 201) = ( 0.4615385 0.3552925 0.3082060), wk = 0.0030960 k( 202) = ( 0.4551282 0.3663954 0.3082060), wk = 0.0030960 k( 203) = ( 0.4487179 0.3774983 0.3082060), wk = 0.0030960 k( 204) = ( 0.4423077 0.3886011 0.3082060), wk = 0.0030960 k( 205) = ( 0.4358974 0.3997040 0.3082060), wk = 0.0030960 k( 206) = ( 0.4294872 0.4108069 0.3082060), wk = 0.0030960 k( 207) = ( 0.4230769 0.4219098 0.3082060), wk = 0.0030960 k( 208) = ( 0.4166667 0.4330127 0.3082060), wk = 0.0030960 k( 209) = ( 0.4102564 0.4441156 0.3082060), wk = 0.0030960 k( 210) = ( 0.4038462 0.4552185 0.3082060), wk = 0.0030960 k( 211) = ( 0.3974359 0.4663214 0.3082060), wk = 0.0030960 k( 212) = ( 0.3910256 0.4774243 0.3082060), wk = 0.0030960 k( 213) = ( 0.3846154 0.4885271 0.3082060), wk = 0.0030960 k( 214) = ( 0.3782051 0.4996300 0.3082060), wk = 0.0030960 k( 215) = ( 0.3717949 0.5107329 0.3082060), wk = 0.0030960 k( 216) = ( 0.3653846 0.5218358 0.3082060), wk = 0.0030960 k( 217) = ( 0.3589744 0.5329387 0.3082060), wk = 0.0030960 k( 218) = ( 0.3525641 0.5440416 0.3082060), wk = 0.0030960 k( 219) = ( 0.3461538 0.5551445 0.3082060), wk = 0.0030960 k( 220) = ( 0.3397436 0.5662474 0.3082060), wk = 0.0030960 k( 221) = ( 0.3333333 0.5773503 0.3082060), wk = 0.0030960 k( 222) = ( 0.3333333 0.5773503 0.3082060), wk = 0.0030960 k( 223) = ( 0.3267974 0.5660297 0.3082060), wk = 0.0030960 k( 224) = ( 0.3202614 0.5547091 0.3082060), wk = 0.0030960 k( 225) = ( 0.3137255 0.5433885 0.3082060), wk = 0.0030960 k( 226) = ( 0.3071895 0.5320679 0.3082060), wk = 0.0030960 k( 227) = ( 0.3006536 0.5207473 0.3082060), wk = 0.0030960 k( 228) = ( 0.2941177 0.5094267 0.3082060), wk = 0.0030960 k( 229) = ( 0.2875817 0.4981061 0.3082060), wk = 0.0030960 k( 230) = ( 0.2810457 0.4867855 0.3082060), wk = 0.0030960 k( 231) = ( 0.2745098 0.4754649 0.3082060), wk = 0.0030960 k( 232) = ( 0.2679739 0.4641443 0.3082060), wk = 0.0030960 k( 233) = ( 0.2614379 0.4528237 0.3082060), wk = 0.0030960 k( 234) = ( 0.2549020 0.4415031 0.3082060), wk = 0.0030960 k( 235) = ( 0.2483660 0.4301825 0.3082060), wk = 0.0030960 k( 236) = ( 0.2418301 0.4188620 0.3082060), wk = 0.0030960 k( 237) = ( 0.2352941 0.4075414 0.3082060), wk = 0.0030960 k( 238) = ( 0.2287582 0.3962208 0.3082060), wk = 0.0030960 k( 239) = ( 0.2222222 0.3849002 0.3082060), wk = 0.0030960 k( 240) = ( 0.2156863 0.3735796 0.3082060), wk = 0.0030960 k( 241) = ( 0.2091503 0.3622590 0.3082060), wk = 0.0030960 k( 242) = ( 0.2026144 0.3509384 0.3082060), wk = 0.0030960 k( 243) = ( 0.1960784 0.3396178 0.3082060), wk = 0.0030960 k( 244) = ( 0.1895425 0.3282972 0.3082060), wk = 0.0030960 k( 245) = ( 0.1830065 0.3169766 0.3082060), wk = 0.0030960 k( 246) = ( 0.1764706 0.3056560 0.3082060), wk = 0.0030960 k( 247) = ( 0.1699346 0.2943354 0.3082060), wk = 0.0030960 k( 248) = ( 0.1633987 0.2830148 0.3082060), wk = 0.0030960 k( 249) = ( 0.1568627 0.2716943 0.3082060), wk = 0.0030960 k( 250) = ( 0.1503268 0.2603737 0.3082060), wk = 0.0030960 k( 251) = ( 0.1437908 0.2490531 0.3082060), wk = 0.0030960 k( 252) = ( 0.1372549 0.2377325 0.3082060), wk = 0.0030960 k( 253) = ( 0.1307190 0.2264119 0.3082060), wk = 0.0030960 k( 254) = ( 0.1241830 0.2150913 0.3082060), wk = 0.0030960 k( 255) = ( 0.1176471 0.2037707 0.3082060), wk = 0.0030960 k( 256) = ( 0.1111111 0.1924501 0.3082060), wk = 0.0030960 k( 257) = ( 0.1045752 0.1811295 0.3082060), wk = 0.0030960 k( 258) = ( 0.0980392 0.1698089 0.3082060), wk = 0.0030960 k( 259) = ( 0.0915033 0.1584883 0.3082060), wk = 0.0030960 k( 260) = ( 0.0849673 0.1471677 0.3082060), wk = 0.0030960 k( 261) = ( 0.0784314 0.1358471 0.3082060), wk = 0.0030960 k( 262) = ( 0.0718954 0.1245265 0.3082060), wk = 0.0030960 k( 263) = ( 0.0653595 0.1132059 0.3082060), wk = 0.0030960 k( 264) = ( 0.0588235 0.1018853 0.3082060), wk = 0.0030960 k( 265) = ( 0.0522876 0.0905647 0.3082060), wk = 0.0030960 k( 266) = ( 0.0457516 0.0792441 0.3082060), wk = 0.0030960 k( 267) = ( 0.0392157 0.0679236 0.3082060), wk = 0.0030960 k( 268) = ( 0.0326797 0.0566030 0.3082060), wk = 0.0030960 k( 269) = ( 0.0261438 0.0452824 0.3082060), wk = 0.0030960 k( 270) = ( 0.0196078 0.0339618 0.3082060), wk = 0.0030960 k( 271) = ( 0.0130719 0.0226412 0.3082060), wk = 0.0030960 k( 272) = ( 0.0065359 0.0113206 0.3082060), wk = 0.0030960 k( 273) = ( 0.0000000 0.0000000 0.3082060), wk = 0.0030960 k( 274) = ( 0.5000000 0.2886751 0.3082060), wk = 0.0030960 k( 275) = ( 0.5000000 0.2886751 0.2953641), wk = 0.0030960 k( 276) = ( 0.5000000 0.2886751 0.2825221), wk = 0.0030960 k( 277) = ( 0.5000000 0.2886751 0.2696802), wk = 0.0030960 k( 278) = ( 0.5000000 0.2886751 0.2568383), wk = 0.0030960 k( 279) = ( 0.5000000 0.2886751 0.2439964), wk = 0.0030960 k( 280) = ( 0.5000000 0.2886751 0.2311545), wk = 0.0030960 k( 281) = ( 0.5000000 0.2886751 0.2183126), wk = 0.0030960 k( 282) = ( 0.5000000 0.2886751 0.2054706), wk = 0.0030960 k( 283) = ( 0.5000000 0.2886751 0.1926287), wk = 0.0030960 k( 284) = ( 0.5000000 0.2886751 0.1797868), wk = 0.0030960 k( 285) = ( 0.5000000 0.2886751 0.1669449), wk = 0.0030960 k( 286) = ( 0.5000000 0.2886751 0.1541030), wk = 0.0030960 k( 287) = ( 0.5000000 0.2886751 0.1412611), wk = 0.0030960 k( 288) = ( 0.5000000 0.2886751 0.1284192), wk = 0.0030960 k( 289) = ( 0.5000000 0.2886751 0.1155772), wk = 0.0030960 k( 290) = ( 0.5000000 0.2886751 0.1027353), wk = 0.0030960 k( 291) = ( 0.5000000 0.2886751 0.0898934), wk = 0.0030960 k( 292) = ( 0.5000000 0.2886751 0.0770515), wk = 0.0030960 k( 293) = ( 0.5000000 0.2886751 0.0642096), wk = 0.0030960 k( 294) = ( 0.5000000 0.2886751 0.0513677), wk = 0.0030960 k( 295) = ( 0.5000000 0.2886751 0.0385257), wk = 0.0030960 k( 296) = ( 0.5000000 0.2886751 0.0256838), wk = 0.0030960 k( 297) = ( 0.5000000 0.2886751 0.0128419), 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 0.0128419), wk = 0.0030960 k( 301) = ( 0.3333333 0.5773503 0.0256838), wk = 0.0030960 k( 302) = ( 0.3333333 0.5773503 0.0385257), wk = 0.0030960 k( 303) = ( 0.3333333 0.5773503 0.0513677), wk = 0.0030960 k( 304) = ( 0.3333333 0.5773503 0.0642096), wk = 0.0030960 k( 305) = ( 0.3333333 0.5773503 0.0770515), wk = 0.0030960 k( 306) = ( 0.3333333 0.5773503 0.0898934), wk = 0.0030960 k( 307) = ( 0.3333333 0.5773503 0.1027353), wk = 0.0030960 k( 308) = ( 0.3333333 0.5773503 0.1155772), wk = 0.0030960 k( 309) = ( 0.3333333 0.5773503 0.1284192), wk = 0.0030960 k( 310) = ( 0.3333333 0.5773503 0.1412611), wk = 0.0030960 k( 311) = ( 0.3333333 0.5773503 0.1541030), wk = 0.0030960 k( 312) = ( 0.3333333 0.5773503 0.1669449), wk = 0.0030960 k( 313) = ( 0.3333333 0.5773503 0.1797868), wk = 0.0030960 k( 314) = ( 0.3333333 0.5773503 0.1926287), wk = 0.0030960 k( 315) = ( 0.3333333 0.5773503 0.2054706), wk = 0.0030960 k( 316) = ( 0.3333333 0.5773503 0.2183126), wk = 0.0030960 k( 317) = ( 0.3333333 0.5773503 0.2311545), wk = 0.0030960 k( 318) = ( 0.3333333 0.5773503 0.2439964), wk = 0.0030960 k( 319) = ( 0.3333333 0.5773503 0.2568383), wk = 0.0030960 k( 320) = ( 0.3333333 0.5773503 0.2696802), wk = 0.0030960 k( 321) = ( 0.3333333 0.5773503 0.2825221), wk = 0.0030960 k( 322) = ( 0.3333333 0.5773503 0.2953641), wk = 0.0030960 k( 323) = ( 0.3333333 0.5773503 0.3082060), wk = 0.0030960 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0030960 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0030960 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0030960 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0030960 k( 6) = ( 0.0568182 0.0000000 0.0000000), wk = 0.0030960 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0030960 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0030960 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0030960 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0030960 k( 11) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0030960 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0030960 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0030960 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0030960 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0030960 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0030960 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0030960 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0030960 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0030960 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0030960 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0030960 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0030960 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030960 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0030960 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0030960 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0030960 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0030960 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0030960 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0030960 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0030960 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0030960 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0030960 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0030960 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0030960 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0030960 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0030960 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0030960 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0030960 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0030960 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0030960 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0030960 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0030960 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0030960 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0030960 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 47) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0030960 k( 48) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0030960 k( 49) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0030960 k( 50) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0030960 k( 51) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0030960 k( 52) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0030960 k( 53) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0030960 k( 54) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0030960 k( 55) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0030960 k( 56) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0030960 k( 57) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0030960 k( 58) = ( 0.4230769 0.1538462 0.0000000), wk = 0.0030960 k( 59) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0030960 k( 60) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0030960 k( 61) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0030960 k( 62) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0030960 k( 63) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0030960 k( 64) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0030960 k( 65) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0030960 k( 66) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0030960 k( 67) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0030960 k( 68) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0030960 k( 69) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0030960 k( 70) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0030960 k( 71) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0030960 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 74) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0030960 k( 75) = ( 0.3202614 0.3202614 0.0000000), wk = 0.0030960 k( 76) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0030960 k( 77) = ( 0.3071895 0.3071895 0.0000000), wk = 0.0030960 k( 78) = ( 0.3006536 0.3006536 0.0000000), wk = 0.0030960 k( 79) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0030960 k( 80) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0030960 k( 81) = ( 0.2810457 0.2810457 -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 0.1568628 0.0000000), wk = 0.0030960 k( 101) = ( 0.1503268 0.1503268 0.0000000), wk = 0.0030960 k( 102) = ( 0.1437908 0.1437909 0.0000000), wk = 0.0030960 k( 103) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0030960 k( 104) = ( 0.1307190 0.1307190 0.0000000), wk = 0.0030960 k( 105) = ( 0.1241830 0.1241830 0.0000000), wk = 0.0030960 k( 106) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0030960 k( 107) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0030960 k( 108) = ( 0.1045752 0.1045752 0.0000000), wk = 0.0030960 k( 109) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0030960 k( 110) = ( 0.0915033 0.0915033 0.0000000), wk = 0.0030960 k( 111) = ( 0.0849673 0.0849673 0.0000000), wk = 0.0030960 k( 112) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0030960 k( 113) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0030960 k( 114) = ( 0.0653595 0.0653595 0.0000000), wk = 0.0030960 k( 115) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0030960 k( 116) = ( 0.0522876 0.0522876 0.0000000), wk = 0.0030960 k( 117) = ( 0.0457516 0.0457516 0.0000000), wk = 0.0030960 k( 118) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0030960 k( 119) = ( 0.0326797 0.0326797 0.0000000), wk = 0.0030960 k( 120) = ( 0.0261438 0.0261438 0.0000000), wk = 0.0030960 k( 121) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0030960 k( 122) = ( 0.0130719 0.0130719 0.0000000), wk = 0.0030960 k( 123) = ( 0.0065359 0.0065360 0.0000000), wk = 0.0030960 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 126) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0030960 k( 127) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0030960 k( 128) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030960 k( 129) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030960 k( 130) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0030960 k( 131) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030960 k( 132) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0030960 k( 133) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030960 k( 134) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030960 k( 135) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0030960 k( 136) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0030960 k( 137) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030960 k( 138) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0030960 k( 139) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0030960 k( 140) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030960 k( 141) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030960 k( 142) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0030960 k( 143) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030960 k( 144) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0030960 k( 145) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030960 k( 146) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030960 k( 147) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0030960 k( 148) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0030960 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 151) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0030960 k( 152) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0030960 k( 153) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0030960 k( 154) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0030960 k( 155) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0030960 k( 156) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0030960 k( 157) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0030960 k( 158) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0030960 k( 159) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0030960 k( 160) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0030960 k( 161) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0030960 k( 162) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0030960 k( 163) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0030960 k( 164) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0030960 k( 165) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0030960 k( 166) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0030960 k( 167) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0030960 k( 168) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0030960 k( 169) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0030960 k( 170) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0030960 k( 171) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0030960 k( 172) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0030960 k( 173) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0030960 k( 174) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0030960 k( 175) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0030960 k( 176) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0030960 k( 177) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0030960 k( 178) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0030960 k( 179) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0030960 k( 180) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0030960 k( 181) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0030960 k( 182) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0030960 k( 183) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0030960 k( 184) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0030960 k( 185) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0030960 k( 186) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0030960 k( 187) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0030960 k( 188) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0030960 k( 189) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0030960 k( 190) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0030960 k( 191) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0030960 k( 192) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0030960 k( 193) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0030960 k( 194) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 195) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 196) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0030960 k( 197) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0030960 k( 198) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0030960 k( 199) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0030960 k( 200) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0030960 k( 201) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0030960 k( 202) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0030960 k( 203) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0030960 k( 204) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0030960 k( 205) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0030960 k( 206) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0030960 k( 207) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0030960 k( 208) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030960 k( 209) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0030960 k( 210) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0030960 k( 211) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0030960 k( 212) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0030960 k( 213) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0030960 k( 214) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0030960 k( 215) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0030960 k( 216) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0030960 k( 217) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0030960 k( 218) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0030960 k( 219) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0030960 k( 220) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0030960 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 k( 222) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 k( 223) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0030960 k( 224) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0030960 k( 225) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0030960 k( 226) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0030960 k( 227) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0030960 k( 228) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0030960 k( 229) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0030960 k( 230) = ( 0.2810457 0.2810457 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 0.1568628 0.5000000), wk = 0.0030960 k( 250) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0030960 k( 251) = ( 0.1437908 0.1437909 0.5000000), wk = 0.0030960 k( 252) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0030960 k( 253) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0030960 k( 254) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0030960 k( 255) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0030960 k( 256) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0030960 k( 257) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0030960 k( 258) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0030960 k( 259) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0030960 k( 260) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0030960 k( 261) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0030960 k( 262) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0030960 k( 263) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0030960 k( 264) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0030960 k( 265) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0030960 k( 266) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0030960 k( 267) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0030960 k( 268) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0030960 k( 269) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0030960 k( 270) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0030960 k( 271) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0030960 k( 272) = ( 0.0065359 0.0065360 0.5000000), wk = 0.0030960 k( 273) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 274) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 275) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0030960 k( 276) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0030960 k( 277) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0030960 k( 278) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0030960 k( 279) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0030960 k( 280) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0030960 k( 281) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0030960 k( 282) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0030960 k( 283) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0030960 k( 284) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0030960 k( 285) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0030960 k( 286) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030960 k( 287) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0030960 k( 288) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0030960 k( 289) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0030960 k( 290) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0030960 k( 291) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0030960 k( 292) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0030960 k( 293) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0030960 k( 294) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0030960 k( 295) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0030960 k( 296) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0030960 k( 297) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0030960 k( 298) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 299) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030960 k( 300) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0030960 k( 301) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0030960 k( 302) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0030960 k( 303) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0030960 k( 304) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0030960 k( 305) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0030960 k( 306) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0030960 k( 307) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0030960 k( 308) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0030960 k( 309) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0030960 k( 310) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0030960 k( 311) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0030960 k( 312) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0030960 k( 313) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0030960 k( 314) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0030960 k( 315) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030960 k( 316) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0030960 k( 317) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0030960 k( 318) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0030960 k( 319) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0030960 k( 320) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0030960 k( 321) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0030960 k( 322) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0030960 k( 323) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 Dense grid: 294929 G-vectors FFT dimensions: ( 75, 75, 120) Smooth grid: 96113 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 ( 6138) G-vector shells 0.02 Mb ( 2863) 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 41.2 secs Computing kpt #: 2 total cpu time spent up to now is 43.1 secs Computing kpt #: 3 total cpu time spent up to now is 45.4 secs Computing kpt #: 4 total cpu time spent up to now is 47.5 secs Computing kpt #: 5 total cpu time spent up to now is 49.5 secs Computing kpt #: 6 total cpu time spent up to now is 51.7 secs Computing kpt #: 7 total cpu time spent up to now is 53.6 secs Computing kpt #: 8 total cpu time spent up to now is 55.5 secs Computing kpt #: 9 total cpu time spent up to now is 57.6 secs Computing kpt #: 10 total cpu time spent up to now is 59.6 secs Computing kpt #: 11 total cpu time spent up to now is 61.6 secs Computing kpt #: 12 total cpu time spent up to now is 63.7 secs Computing kpt #: 13 total cpu time spent up to now is 65.7 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 69.8 secs Computing kpt #: 16 total cpu time spent up to now is 72.1 secs Computing kpt #: 17 total cpu time spent up to now is 74.3 secs Computing kpt #: 18 total cpu time spent up to now is 76.4 secs Computing kpt #: 19 total cpu time spent up to now is 78.4 secs Computing kpt #: 20 total cpu time spent up to now is 80.4 secs Computing kpt #: 21 total cpu time spent up to now is 82.5 secs Computing kpt #: 22 total cpu time spent up to now is 84.5 secs Computing kpt #: 23 total cpu time spent up to now is 86.6 secs Computing kpt #: 24 total cpu time spent up to now is 88.5 secs Computing kpt #: 25 total cpu time spent up to now is 90.5 secs Computing kpt #: 26 total cpu time spent up to now is 92.3 secs Computing kpt #: 27 total cpu time spent up to now is 94.2 secs Computing kpt #: 28 total cpu time spent up to now is 96.4 secs Computing kpt #: 29 total cpu time spent up to now is 99.7 secs Computing kpt #: 30 total cpu time spent up to now is 102.4 secs Computing kpt #: 31 total cpu time spent up to now is 104.5 secs Computing kpt #: 32 total cpu time spent up to now is 106.4 secs Computing kpt #: 33 total cpu time spent up to now is 108.3 secs Computing kpt #: 34 total cpu time spent up to now is 110.3 secs Computing kpt #: 35 total cpu time spent up to now is 112.5 secs Computing kpt #: 36 total cpu time spent up to now is 114.4 secs Computing kpt #: 37 total cpu time spent up to now is 116.5 secs Computing kpt #: 38 total cpu time spent up to now is 118.6 secs Computing kpt #: 39 total cpu time spent up to now is 120.7 secs Computing kpt #: 40 total cpu time spent up to now is 122.8 secs Computing kpt #: 41 total cpu time spent up to now is 124.7 secs Computing kpt #: 42 total cpu time spent up to now is 126.6 secs Computing kpt #: 43 total cpu time spent up to now is 128.6 secs Computing kpt #: 44 total cpu time spent up to now is 130.4 secs Computing kpt #: 45 total cpu time spent up to now is 132.2 secs Computing kpt #: 46 total cpu time spent up to now is 134.1 secs Computing kpt #: 47 total cpu time spent up to now is 136.1 secs Computing kpt #: 48 total cpu time spent up to now is 138.0 secs Computing kpt #: 49 total cpu time spent up to now is 140.1 secs Computing kpt #: 50 total cpu time spent up to now is 142.3 secs Computing kpt #: 51 total cpu time spent up to now is 144.4 secs Computing kpt #: 52 total cpu time spent up to now is 146.5 secs Computing kpt #: 53 total cpu time spent up to now is 148.7 secs Computing kpt #: 54 total cpu time spent up to now is 150.8 secs Computing kpt #: 55 total cpu time spent up to now is 153.2 secs Computing kpt #: 56 total cpu time spent up to now is 155.4 secs Computing kpt #: 57 total cpu time spent up to now is 157.5 secs Computing kpt #: 58 total cpu time spent up to now is 159.6 secs Computing kpt #: 59 total cpu time spent up to now is 161.5 secs Computing kpt #: 60 total cpu time spent up to now is 163.5 secs Computing kpt #: 61 total cpu time spent up to now is 165.5 secs Computing kpt #: 62 total cpu time spent up to now is 167.5 secs Computing kpt #: 63 total cpu time spent up to now is 169.4 secs Computing kpt #: 64 total cpu time spent up to now is 171.4 secs Computing kpt #: 65 total cpu time spent up to now is 173.8 secs Computing kpt #: 66 total cpu time spent up to now is 176.2 secs Computing kpt #: 67 total cpu time spent up to now is 178.6 secs Computing kpt #: 68 total cpu time spent up to now is 181.3 secs Computing kpt #: 69 total cpu time spent up to now is 184.5 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.1 secs Computing kpt #: 71 total cpu time spent up to now is 191.1 secs Computing kpt #: 72 total cpu time spent up to now is 193.2 secs Computing kpt #: 73 total cpu time spent up to now is 195.4 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 200.8 secs Computing kpt #: 76 total cpu time spent up to now is 202.9 secs Computing kpt #: 77 total cpu time spent up to now is 205.0 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 210.7 secs Computing kpt #: 81 total cpu time spent up to now is 214.3 secs Computing kpt #: 82 total cpu time spent up to now is 216.1 secs Computing kpt #: 83 total cpu time spent up to now is 218.0 secs Computing kpt #: 84 total cpu time spent up to now is 219.7 secs Computing kpt #: 85 total cpu time spent up to now is 221.4 secs Computing kpt #: 86 total cpu time spent up to now is 223.2 secs Computing kpt #: 87 total cpu time spent up to now is 224.8 secs Computing kpt #: 88 total cpu time spent up to now is 226.6 secs Computing kpt #: 89 total cpu time spent up to now is 228.3 secs Computing kpt #: 90 total cpu time spent up to now is 230.0 secs Computing kpt #: 91 total cpu time spent up to now is 231.7 secs Computing kpt #: 92 total cpu time spent up to now is 233.4 secs Computing kpt #: 93 total cpu time spent up to now is 235.2 secs Computing kpt #: 94 total cpu time spent up to now is 237.2 secs Computing kpt #: 95 total cpu time spent up to now is 239.1 secs Computing kpt #: 96 total cpu time spent up to now is 240.9 secs Computing kpt #: 97 total cpu time spent up to now is 242.9 secs Computing kpt #: 98 total cpu time spent up to now is 244.8 secs Computing kpt #: 99 total cpu time spent up to now is 246.8 secs Computing kpt #: 100 total cpu time spent up to now is 248.7 secs Computing kpt #: 101 total cpu time spent up to now is 250.7 secs Computing kpt #: 102 total cpu time spent up to now is 252.6 secs Computing kpt #: 103 total cpu time spent up to now is 254.7 secs Computing kpt #: 104 total cpu time spent up to now is 256.7 secs Computing kpt #: 105 total cpu time spent up to now is 258.6 secs Computing kpt #: 106 total cpu time spent up to now is 260.6 secs Computing kpt #: 107 total cpu time spent up to now is 262.6 secs Computing kpt #: 108 total cpu time spent up to now is 264.5 secs Computing kpt #: 109 total cpu time spent up to now is 266.4 secs Computing kpt #: 110 total cpu time spent up to now is 268.6 secs Computing kpt #: 111 total cpu time spent up to now is 270.7 secs Computing kpt #: 112 total cpu time spent up to now is 273.1 secs Computing kpt #: 113 total cpu time spent up to now is 275.4 secs Computing kpt #: 114 total cpu time spent up to now is 277.6 secs Computing kpt #: 115 total cpu time spent up to now is 279.5 secs Computing kpt #: 116 total cpu time spent up to now is 281.5 secs Computing kpt #: 117 total cpu time spent up to now is 283.5 secs Computing kpt #: 118 total cpu time spent up to now is 285.4 secs Computing kpt #: 119 total cpu time spent up to now is 287.3 secs Computing kpt #: 120 total cpu time spent up to now is 289.2 secs Computing kpt #: 121 total cpu time spent up to now is 291.1 secs Computing kpt #: 122 total cpu time spent up to now is 293.0 secs Computing kpt #: 123 total cpu time spent up to now is 294.8 secs Computing kpt #: 124 total cpu time spent up to now is 296.7 secs Computing kpt #: 125 total cpu time spent up to now is 298.6 secs Computing kpt #: 126 total cpu time spent up to now is 300.6 secs Computing kpt #: 127 total cpu time spent up to now is 302.6 secs Computing kpt #: 128 total cpu time spent up to now is 304.5 secs Computing kpt #: 129 total cpu time spent up to now is 306.6 secs Computing kpt #: 130 total cpu time spent up to now is 308.7 secs Computing kpt #: 131 total cpu time spent up to now is 310.9 secs Computing kpt #: 132 total cpu time spent up to now is 312.9 secs Computing kpt #: 133 total cpu time spent up to now is 314.9 secs Computing kpt #: 134 total cpu time spent up to now is 316.8 secs Computing kpt #: 135 total cpu time spent up to now is 318.8 secs Computing kpt #: 136 total cpu time spent up to now is 320.7 secs Computing kpt #: 137 total cpu time spent up to now is 322.6 secs Computing kpt #: 138 total cpu time spent up to now is 324.5 secs Computing kpt #: 139 total cpu time spent up to now is 326.3 secs Computing kpt #: 140 total cpu time spent up to now is 328.2 secs Computing kpt #: 141 total cpu time spent up to now is 330.3 secs Computing kpt #: 142 total cpu time spent up to now is 332.3 secs Computing kpt #: 143 total cpu time spent up to now is 334.1 secs Computing kpt #: 144 total cpu time spent up to now is 335.9 secs Computing kpt #: 145 total cpu time spent up to now is 337.9 secs Computing kpt #: 146 total cpu time spent up to now is 339.9 secs Computing kpt #: 147 total cpu time spent up to now is 342.1 secs Computing kpt #: 148 total cpu time spent up to now is 344.5 secs Computing kpt #: 149 total cpu time spent up to now is 347.2 secs Computing kpt #: 150 total cpu time spent up to now is 349.9 secs Computing kpt #: 151 total cpu time spent up to now is 352.3 secs Computing kpt #: 152 total cpu time spent up to now is 354.6 secs Computing kpt #: 153 total cpu time spent up to now is 356.7 secs Computing kpt #: 154 total cpu time spent up to now is 358.9 secs Computing kpt #: 155 total cpu time spent up to now is 361.0 secs Computing kpt #: 156 total cpu time spent up to now is 363.1 secs Computing kpt #: 157 total cpu time spent up to now is 365.5 secs Computing kpt #: 158 total cpu time spent up to now is 367.7 secs Computing kpt #: 159 total cpu time spent up to now is 370.0 secs Computing kpt #: 160 total cpu time spent up to now is 372.1 secs Computing kpt #: 161 total cpu time spent up to now is 374.4 secs Computing kpt #: 162 total cpu time spent up to now is 376.6 secs Computing kpt #: 163 total cpu time spent up to now is 378.7 secs Computing kpt #: 164 total cpu time spent up to now is 380.7 secs Computing kpt #: 165 total cpu time spent up to now is 382.8 secs Computing kpt #: 166 total cpu time spent up to now is 384.9 secs Computing kpt #: 167 total cpu time spent up to now is 386.9 secs Computing kpt #: 168 total cpu time spent up to now is 388.9 secs Computing kpt #: 169 total cpu time spent up to now is 391.0 secs Computing kpt #: 170 total cpu time spent up to now is 393.1 secs Computing kpt #: 171 total cpu time spent up to now is 395.0 secs Computing kpt #: 172 total cpu time spent up to now is 398.0 secs Computing kpt #: 173 total cpu time spent up to now is 399.7 secs Computing kpt #: 174 total cpu time spent up to now is 401.6 secs Computing kpt #: 175 total cpu time spent up to now is 403.4 secs Computing kpt #: 176 total cpu time spent up to now is 405.1 secs Computing kpt #: 177 total cpu time spent up to now is 406.8 secs Computing kpt #: 178 total cpu time spent up to now is 408.4 secs Computing kpt #: 179 total cpu time spent up to now is 410.0 secs Computing kpt #: 180 total cpu time spent up to now is 411.5 secs Computing kpt #: 181 total cpu time spent up to now is 413.1 secs Computing kpt #: 182 total cpu time spent up to now is 414.5 secs Computing kpt #: 183 total cpu time spent up to now is 415.9 secs Computing kpt #: 184 total cpu time spent up to now is 417.3 secs Computing kpt #: 185 total cpu time spent up to now is 418.7 secs Computing kpt #: 186 total cpu time spent up to now is 420.1 secs Computing kpt #: 187 total cpu time spent up to now is 421.4 secs Computing kpt #: 188 total cpu time spent up to now is 422.9 secs Computing kpt #: 189 total cpu time spent up to now is 424.2 secs Computing kpt #: 190 total cpu time spent up to now is 425.7 secs Computing kpt #: 191 total cpu time spent up to now is 427.1 secs Computing kpt #: 192 total cpu time spent up to now is 428.4 secs Computing kpt #: 193 total cpu time spent up to now is 430.0 secs Computing kpt #: 194 total cpu time spent up to now is 431.4 secs Computing kpt #: 195 total cpu time spent up to now is 432.8 secs Computing kpt #: 196 total cpu time spent up to now is 434.1 secs Computing kpt #: 197 total cpu time spent up to now is 435.4 secs Computing kpt #: 198 total cpu time spent up to now is 436.8 secs Computing kpt #: 199 total cpu time spent up to now is 438.1 secs Computing kpt #: 200 total cpu time spent up to now is 439.4 secs Computing kpt #: 201 total cpu time spent up to now is 440.8 secs Computing kpt #: 202 total cpu time spent up to now is 442.1 secs Computing kpt #: 203 total cpu time spent up to now is 443.4 secs Computing kpt #: 204 total cpu time spent up to now is 444.9 secs Computing kpt #: 205 total cpu time spent up to now is 446.5 secs Computing kpt #: 206 total cpu time spent up to now is 448.0 secs Computing kpt #: 207 total cpu time spent up to now is 449.5 secs Computing kpt #: 208 total cpu time spent up to now is 451.1 secs Computing kpt #: 209 total cpu time spent up to now is 452.9 secs Computing kpt #: 210 total cpu time spent up to now is 454.6 secs Computing kpt #: 211 total cpu time spent up to now is 456.5 secs Computing kpt #: 212 total cpu time spent up to now is 458.4 secs Computing kpt #: 213 total cpu time spent up to now is 460.2 secs Computing kpt #: 214 total cpu time spent up to now is 462.1 secs Computing kpt #: 215 total cpu time spent up to now is 463.9 secs Computing kpt #: 216 total cpu time spent up to now is 465.7 secs Computing kpt #: 217 total cpu time spent up to now is 467.4 secs Computing kpt #: 218 total cpu time spent up to now is 469.1 secs Computing kpt #: 219 total cpu time spent up to now is 471.1 secs Computing kpt #: 220 total cpu time spent up to now is 472.7 secs Computing kpt #: 221 total cpu time spent up to now is 474.3 secs Computing kpt #: 222 total cpu time spent up to now is 476.0 secs Computing kpt #: 223 total cpu time spent up to now is 477.6 secs Computing kpt #: 224 total cpu time spent up to now is 479.2 secs Computing kpt #: 225 total cpu time spent up to now is 481.0 secs Computing kpt #: 226 total cpu time spent up to now is 482.7 secs Computing kpt #: 227 total cpu time spent up to now is 484.4 secs Computing kpt #: 228 total cpu time spent up to now is 486.2 secs Computing kpt #: 229 total cpu time spent up to now is 488.0 secs Computing kpt #: 230 total cpu time spent up to now is 489.7 secs Computing kpt #: 231 total cpu time spent up to now is 491.5 secs Computing kpt #: 232 total cpu time spent up to now is 493.4 secs Computing kpt #: 233 total cpu time spent up to now is 495.2 secs Computing kpt #: 234 total cpu time spent up to now is 497.1 secs Computing kpt #: 235 total cpu time spent up to now is 499.0 secs Computing kpt #: 236 total cpu time spent up to now is 500.9 secs Computing kpt #: 237 total cpu time spent up to now is 502.9 secs Computing kpt #: 238 total cpu time spent up to now is 504.8 secs Computing kpt #: 239 total cpu time spent up to now is 506.7 secs Computing kpt #: 240 total cpu time spent up to now is 508.6 secs Computing kpt #: 241 total cpu time spent up to now is 510.6 secs Computing kpt #: 242 total cpu time spent up to now is 512.6 secs Computing kpt #: 243 total cpu time spent up to now is 514.5 secs Computing kpt #: 244 total cpu time spent up to now is 516.5 secs Computing kpt #: 245 total cpu time spent up to now is 518.5 secs Computing kpt #: 246 total cpu time spent up to now is 520.4 secs Computing kpt #: 247 total cpu time spent up to now is 522.4 secs Computing kpt #: 248 total cpu time spent up to now is 524.3 secs Computing kpt #: 249 total cpu time spent up to now is 526.1 secs Computing kpt #: 250 total cpu time spent up to now is 528.1 secs Computing kpt #: 251 total cpu time spent up to now is 530.1 secs Computing kpt #: 252 total cpu time spent up to now is 532.0 secs Computing kpt #: 253 total cpu time spent up to now is 533.9 secs Computing kpt #: 254 total cpu time spent up to now is 535.7 secs Computing kpt #: 255 total cpu time spent up to now is 537.5 secs Computing kpt #: 256 total cpu time spent up to now is 539.3 secs Computing kpt #: 257 total cpu time spent up to now is 541.2 secs Computing kpt #: 258 total cpu time spent up to now is 543.2 secs Computing kpt #: 259 total cpu time spent up to now is 545.0 secs Computing kpt #: 260 total cpu time spent up to now is 546.9 secs Computing kpt #: 261 total cpu time spent up to now is 549.0 secs Computing kpt #: 262 total cpu time spent up to now is 550.9 secs Computing kpt #: 263 total cpu time spent up to now is 552.9 secs Computing kpt #: 264 total cpu time spent up to now is 554.9 secs Computing kpt #: 265 total cpu time spent up to now is 557.0 secs Computing kpt #: 266 total cpu time spent up to now is 559.3 secs Computing kpt #: 267 total cpu time spent up to now is 561.5 secs Computing kpt #: 268 total cpu time spent up to now is 563.7 secs Computing kpt #: 269 total cpu time spent up to now is 565.8 secs Computing kpt #: 270 total cpu time spent up to now is 567.9 secs Computing kpt #: 271 total cpu time spent up to now is 570.5 secs Computing kpt #: 272 total cpu time spent up to now is 572.9 secs Computing kpt #: 273 total cpu time spent up to now is 575.6 secs Computing kpt #: 274 total cpu time spent up to now is 577.0 secs Computing kpt #: 275 total cpu time spent up to now is 578.4 secs Computing kpt #: 276 total cpu time spent up to now is 579.7 secs Computing kpt #: 277 total cpu time spent up to now is 581.2 secs Computing kpt #: 278 total cpu time spent up to now is 582.5 secs Computing kpt #: 279 total cpu time spent up to now is 583.9 secs Computing kpt #: 280 total cpu time spent up to now is 585.3 secs Computing kpt #: 281 total cpu time spent up to now is 586.6 secs Computing kpt #: 282 total cpu time spent up to now is 588.1 secs Computing kpt #: 283 total cpu time spent up to now is 589.5 secs Computing kpt #: 284 total cpu time spent up to now is 591.0 secs Computing kpt #: 285 total cpu time spent up to now is 592.7 secs Computing kpt #: 286 total cpu time spent up to now is 594.6 secs Computing kpt #: 287 total cpu time spent up to now is 596.4 secs Computing kpt #: 288 total cpu time spent up to now is 598.1 secs Computing kpt #: 289 total cpu time spent up to now is 599.7 secs Computing kpt #: 290 total cpu time spent up to now is 601.5 secs Computing kpt #: 291 total cpu time spent up to now is 603.2 secs Computing kpt #: 292 total cpu time spent up to now is 604.9 secs Computing kpt #: 293 total cpu time spent up to now is 606.6 secs Computing kpt #: 294 total cpu time spent up to now is 608.4 secs Computing kpt #: 295 total cpu time spent up to now is 610.3 secs Computing kpt #: 296 total cpu time spent up to now is 612.1 secs Computing kpt #: 297 total cpu time spent up to now is 614.0 secs Computing kpt #: 298 total cpu time spent up to now is 615.9 secs Computing kpt #: 299 total cpu time spent up to now is 618.1 secs Computing kpt #: 300 total cpu time spent up to now is 620.7 secs Computing kpt #: 301 total cpu time spent up to now is 623.0 secs Computing kpt #: 302 total cpu time spent up to now is 625.3 secs Computing kpt #: 303 total cpu time spent up to now is 627.6 secs Computing kpt #: 304 total cpu time spent up to now is 629.9 secs Computing kpt #: 305 total cpu time spent up to now is 632.2 secs Computing kpt #: 306 total cpu time spent up to now is 634.6 secs Computing kpt #: 307 total cpu time spent up to now is 637.6 secs Computing kpt #: 308 total cpu time spent up to now is 640.9 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 644.3 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 647.8 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 651.2 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 654.6 secs Computing kpt #: 313 total cpu time spent up to now is 658.0 secs Computing kpt #: 314 total cpu time spent up to now is 660.7 secs Computing kpt #: 315 total cpu time spent up to now is 663.0 secs Computing kpt #: 316 total cpu time spent up to now is 665.2 secs Computing kpt #: 317 total cpu time spent up to now is 667.0 secs Computing kpt #: 318 total cpu time spent up to now is 668.9 secs Computing kpt #: 319 total cpu time spent up to now is 670.6 secs Computing kpt #: 320 total cpu time spent up to now is 672.3 secs Computing kpt #: 321 total cpu time spent up to now is 674.0 secs Computing kpt #: 322 total cpu time spent up to now is 675.7 secs Computing kpt #: 323 total cpu time spent up to now is 677.3 secs ethr = 4.17E-11, avg # of iterations = 33.0 total cpu time spent up to now is 677.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0516 -5.0516 -3.5675 -3.5675 0.5570 0.5570 4.7738 4.7738 5.1210 5.1210 5.8447 5.8447 6.4972 6.4972 6.7348 6.7348 7.6546 7.6546 7.6789 7.6789 7.9020 7.9020 8.5948 8.5948 k = 0.0114 0.0066-0.0000 ( 11981 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0505 -5.0505 -3.5666 -3.5665 0.5572 0.5588 4.7612 4.7686 5.1090 5.1092 5.8404 5.8452 6.4907 6.4909 6.7266 6.7352 7.6579 7.6580 7.6818 7.6829 7.9087 7.9141 8.5956 8.5963 k = 0.0227 0.0131-0.0000 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0472 -5.0472 -3.5638 -3.5637 0.5593 0.5626 4.7303 4.7455 5.0744 5.0756 5.8319 5.8404 6.4710 6.4727 6.7124 6.7265 7.6666 7.6677 7.6914 7.6936 7.9350 7.9455 8.5990 8.6003 k = 0.0341 0.0197-0.0000 ( 11980 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0418 -5.0417 -3.5591 -3.5589 0.5634 0.5684 4.6809 4.7040 5.0216 5.0248 5.8173 5.8277 6.4386 6.4430 6.6933 6.7086 7.6772 7.6813 7.7088 7.7109 7.9824 7.9972 8.6048 8.6068 k = 0.0455 0.0262-0.0000 ( 11980 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0341 -5.0340 -3.5526 -3.5523 0.5694 0.5761 4.6126 4.6435 4.9565 4.9626 5.7941 5.8040 6.3953 6.4027 6.6698 6.6821 7.6856 7.6947 7.7361 7.7367 8.0510 8.0684 8.6130 8.6157 k = 0.0568 0.0328-0.0000 ( 11984 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0242 -5.0242 -3.5442 -3.5438 0.5774 0.5858 4.5260 4.5638 4.8851 4.8939 5.7594 5.7662 6.3443 6.3532 6.6419 6.6486 7.6912 7.7052 7.7723 7.7733 8.1381 8.1561 8.6238 8.6272 k = 0.0682 0.0394-0.0000 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0122 -5.0122 -3.5339 -3.5335 0.5872 0.5975 4.4227 4.4660 4.8115 4.8221 5.7109 5.7120 6.2890 6.2967 6.6094 6.6096 7.6949 7.7131 7.8174 7.8196 8.2392 8.2559 8.6374 8.6418 k = 0.0795 0.0459-0.0000 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -4.9980 -4.9979 -3.5219 -3.5215 0.5989 0.6112 4.3055 4.3527 4.7378 4.7490 5.6404 5.6468 6.2324 6.2361 6.5660 6.5721 7.6971 7.7191 7.8711 7.8744 8.3486 8.3618 8.6547 8.6606 k = 0.0909 0.0525-0.0000 ( 12008 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -4.9817 -4.9816 -3.5082 -3.5076 0.6123 0.6267 4.1772 4.2273 4.6643 4.6752 5.5518 5.5666 6.1740 6.1765 6.5185 6.5300 7.6984 7.7237 7.9323 7.9365 8.4586 8.4658 8.6781 8.6866 k = 0.1023 0.0590-0.0000 ( 12010 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -4.9632 -4.9631 -3.4927 -3.4921 0.6276 0.6443 4.0408 4.0931 4.5909 4.6009 5.4479 5.4709 6.1119 6.1217 6.4673 6.4834 7.6989 7.7270 7.9999 8.0050 8.5555 8.5569 8.7140 8.7264 k = 0.1136 0.0656-0.0000 ( 12018 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -4.9426 -4.9425 -3.4755 -3.4749 0.6446 0.6637 3.8986 3.9528 4.5175 4.5263 5.3313 5.3614 6.0506 6.0677 6.4126 6.4325 7.6986 7.7290 8.0728 8.0786 8.6182 8.6264 8.7732 8.7861 k = 0.1250 0.0722-0.0000 ( 11992 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6610 -40.6610 -4.9199 -4.9198 -3.4568 -3.4561 0.6634 0.6850 3.7525 3.8086 4.4441 4.4514 5.2047 5.2404 5.9900 6.0138 6.3548 6.3775 7.6975 7.7297 8.1495 8.1560 8.6578 8.6680 8.8473 8.8547 k = 0.1364 0.0787-0.0000 ( 11990 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6610 -40.6610 -4.8951 -4.8950 -3.4365 -3.4358 0.6837 0.7082 3.6040 3.6621 4.3707 4.3763 5.0704 5.1104 5.9297 5.9595 6.2941 6.3188 7.6954 7.7289 8.2286 8.2355 8.6865 8.6976 8.9127 8.9129 k = 0.1477 0.0853-0.0000 ( 11996 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6610 -40.6610 -4.8683 -4.8682 -3.4148 -3.4140 0.7055 0.7332 3.4543 3.5147 4.2974 4.3012 4.9307 4.9735 5.8692 5.9045 6.2308 6.2567 7.6920 7.7263 8.3086 8.3158 8.7112 8.7235 8.9502 8.9560 k = 0.1591 0.0919-0.0000 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6610 -40.6610 -4.8395 -4.8394 -3.3917 -3.3909 0.7288 0.7600 3.3045 3.3674 4.2243 4.2260 4.7873 4.8317 5.8081 5.8484 6.1652 6.1916 7.6872 7.7217 8.3879 8.3950 8.7344 8.7487 8.9652 8.9745 k = 0.1705 0.0984-0.0000 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6610 -40.6610 -4.8087 -4.8086 -3.3673 -3.3665 0.7533 0.7885 3.1553 3.2212 4.1506 4.1515 4.6420 4.6866 5.7462 5.7913 6.0978 6.1239 7.6807 7.7150 8.4649 8.4716 8.7571 8.7741 8.9621 8.9721 k = 0.1818 0.1050-0.0000 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6610 -40.6610 -4.7759 -4.7758 -3.3417 -3.3409 0.7790 0.8187 3.0075 3.0768 4.0745 4.0789 4.4964 4.5398 5.6832 5.7330 6.0290 6.0540 7.6722 7.7059 8.5381 8.5436 8.7793 8.7997 8.9473 8.9554 k = 0.1932 0.1115-0.0000 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6610 -40.6610 -4.7413 -4.7412 -3.3152 -3.3143 0.8056 0.8504 2.8617 2.9350 3.9967 4.0061 4.3525 4.3929 5.6190 5.6734 5.9593 5.9825 7.6616 7.6943 8.6061 8.6091 8.7991 8.8239 8.9285 8.9321 k = 0.2045 0.1181-0.0000 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6610 -40.6610 -4.7048 -4.7047 -3.2877 -3.2869 0.8330 0.8835 2.7185 2.7965 3.9152 3.9320 4.2133 4.2478 5.5533 5.6125 5.8892 5.9099 7.6487 7.6803 8.6657 8.6676 8.8109 8.8371 8.9155 8.9161 k = 0.2159 0.1247-0.0000 ( 12008 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6610 -40.6610 -4.6665 -4.6664 -3.2595 -3.2587 0.8606 0.9180 2.5784 2.6619 3.8263 3.8544 4.0832 4.1076 5.4858 5.5500 5.8195 5.8368 7.6337 7.6638 8.7086 8.7217 8.8090 8.8218 8.9223 8.9262 k = 0.2273 0.1312-0.0000 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6609 -40.6609 -4.6265 -4.6264 -3.2307 -3.2299 0.8883 0.9535 2.4421 2.5322 3.7250 3.7685 3.9677 3.9780 5.4165 5.4856 5.7506 5.7642 7.6165 7.6451 8.7246 8.7678 8.7877 8.8090 8.9459 8.9562 k = 0.2386 0.1378-0.0000 ( 11992 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6609 -40.6609 -4.5849 -4.5848 -3.2016 -3.2008 0.9155 0.9899 2.3103 2.4081 3.6089 3.6672 3.8665 3.8701 5.3451 5.4190 5.6832 5.6928 7.5973 7.6243 8.7071 8.7477 8.8060 8.8268 8.9787 8.9937 k = 0.2500 0.1443-0.0000 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6609 -40.6609 -4.5416 -4.5416 -3.1722 -3.1715 0.9414 1.0267 2.1835 2.2906 3.4805 3.5480 3.7763 3.7880 5.2715 5.3497 5.6179 5.6235 7.5763 7.6017 8.6747 8.7058 8.8363 8.8491 9.0165 9.0356 k = 0.2614 0.1509-0.0000 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6609 -40.6609 -4.4969 -4.4969 -3.1430 -3.1422 0.9652 1.0633 2.0628 2.1809 3.3452 3.4166 3.7020 3.7167 5.1956 5.2773 5.5551 5.5571 7.5539 7.5777 8.6378 8.6637 8.8592 8.8680 9.0577 9.0810 k = 0.2727 0.1575-0.0000 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6609 -40.6609 -4.4508 -4.4508 -3.1140 -3.1133 0.9857 1.0989 1.9494 2.0805 3.2067 3.2800 3.6374 3.6527 5.1176 5.2019 5.4943 5.4951 7.5304 7.5526 8.5996 8.6219 8.8751 8.8817 9.1022 9.1298 k = 0.2841 0.1640-0.0000 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6609 -40.6609 -4.4035 -4.4034 -3.0856 -3.0849 1.0016 1.1318 1.8451 1.9909 3.0676 3.1420 3.5788 3.5939 5.0376 5.1234 5.4353 5.4382 7.5060 7.5267 8.5615 8.5811 8.8849 8.8902 9.1499 9.1819 k = 0.2955 0.1706-0.0000 ( 12008 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6609 -40.6609 -4.3549 -4.3549 -3.0580 -3.0574 1.0111 1.1596 1.7527 1.9140 2.9292 3.0048 3.5247 3.5394 4.9561 5.0424 5.3801 5.3845 7.4813 7.5005 8.5241 8.5414 8.8895 8.8939 9.2010 9.2372 k = 0.3068 0.1771-0.0000 ( 11996 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6609 -40.6609 -4.3054 -4.3054 -3.0315 -3.0311 1.0128 1.1782 1.6765 1.8514 2.7924 2.8695 3.4743 3.4885 4.8735 4.9595 5.3288 5.3340 7.4565 7.4742 8.4878 8.5033 8.8896 8.8934 9.2553 9.2956 k = 0.3182 0.1837-0.0000 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6608 -40.6608 -4.2550 -4.2550 -3.0066 -3.0062 1.0055 1.1819 1.6226 1.8045 2.6579 2.7372 3.4272 3.4409 4.7903 4.8752 5.2811 5.2866 7.4318 7.4483 8.4529 8.4668 8.8861 8.8895 9.3127 9.3569 k = 0.3295 0.1903-0.0000 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6608 -40.6608 -4.2040 -4.2040 -2.9833 -2.9830 0.9892 1.1662 1.5958 1.7732 2.5262 2.6085 3.3831 3.3964 4.7070 4.7902 5.2368 5.2423 7.4077 7.4229 8.4196 8.4321 8.8799 8.8829 9.3730 9.4208 k = 0.3409 0.1968-0.0000 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6608 -40.6608 -4.1526 -4.1526 -2.9622 -2.9619 0.9650 1.1323 1.5948 1.7560 2.3978 2.4844 3.3421 3.3549 4.6242 4.7052 5.1957 5.2010 7.3843 7.3983 8.3881 8.3993 8.8717 8.8743 9.4360 9.4872 k = 0.3523 0.2034-0.0000 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6608 -40.6608 -4.1011 -4.1011 -2.9434 -2.9432 0.9353 1.0872 1.6129 1.7498 2.2729 2.3660 3.3040 3.3164 4.5425 4.6209 5.1577 5.1627 7.3619 7.3746 8.3585 8.3685 8.8620 8.8643 9.5013 9.5556 k = 0.3636 0.2099-0.0000 ( 12010 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -4.0496 -4.0496 -2.9272 -2.9271 0.9028 1.0381 1.6430 1.7504 2.1520 2.2553 3.2688 3.2808 4.4624 4.5378 5.1227 5.1273 7.3406 7.3522 8.3308 8.3397 8.8513 8.8534 9.5684 9.6255 k = 0.3750 0.2165-0.0000 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.9986 -3.9986 -2.9138 -2.9137 0.8703 0.9900 1.6799 1.7520 2.0356 2.1558 3.2365 3.2481 4.3846 4.4567 5.0907 5.0948 7.3206 7.3311 8.3052 8.3131 8.8403 8.8421 9.6366 9.6959 k = 0.3864 0.2231-0.0000 ( 12010 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.9485 -3.9484 -2.9034 -2.9034 0.8400 0.9459 1.7207 1.7459 1.9241 2.0740 3.2071 3.2182 4.3097 4.3781 5.0615 5.0652 7.3021 7.3115 8.2816 8.2887 8.8292 8.8307 9.7048 9.7654 k = 0.3977 0.2296-0.0000 ( 12006 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.8996 -3.8996 -2.8960 -2.8960 0.8135 0.9075 1.7210 1.7628 1.8182 2.0194 3.1807 3.1913 4.2386 4.3027 5.0351 5.0384 7.2851 7.2935 8.2603 8.2665 8.8183 8.8197 9.7713 9.8311 k = 0.4091 0.2362-0.0000 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.8527 -3.8526 -2.8915 -2.8915 0.7922 0.8757 1.6722 1.7170 1.8064 1.9959 3.1572 3.1672 4.1719 4.2313 5.0116 5.0144 7.2697 7.2771 8.2411 8.2465 8.8080 8.8092 9.8331 9.8879 k = 0.4205 0.2427-0.0000 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.8081 -3.8081 -2.8897 -2.8897 0.7767 0.8508 1.6070 1.6234 1.8483 1.9949 3.1367 3.1460 4.1104 4.1646 4.9909 4.9933 7.2561 7.2625 8.2242 8.2288 8.7985 8.7995 9.8860 9.9301 k = 0.4318 0.2493-0.0000 ( 12008 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.7668 -3.7667 -2.8903 -2.8902 0.7673 0.8326 1.5363 1.5372 1.8884 2.0051 3.1191 3.1276 4.0552 4.1034 4.9729 4.9750 7.2442 7.2497 8.2095 8.2134 8.7899 8.7907 9.9265 9.9578 k = 0.4432 0.2559-0.0000 ( 12006 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.7294 -3.7294 -2.8927 -2.8926 0.7640 0.8208 1.4595 1.4671 1.9259 2.0190 3.1046 3.1120 4.0070 4.0487 4.9577 4.9594 7.2341 7.2387 8.1971 8.2003 8.7824 8.7830 9.9549 9.9760 k = 0.4545 0.2624-0.0000 ( 12006 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6970 -3.6969 -2.8963 -2.8962 0.7662 0.8140 1.3919 1.4036 1.9598 2.0324 3.0929 3.0992 3.9668 4.0012 4.9453 4.9467 7.2259 7.2295 8.1870 8.1895 8.7761 8.7766 9.9743 9.9884 k = 0.4659 0.2690-0.0000 ( 12022 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6703 -3.6703 -2.9003 -2.9002 0.7727 0.8108 1.3363 1.3488 1.9892 2.0430 3.0842 3.0891 3.9355 3.9620 4.9357 4.9367 7.2196 7.2223 8.1791 8.1811 8.7711 8.7715 9.9878 9.9970 k = 0.4773 0.2756-0.0000 ( 12030 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6505 -3.6504 -2.9038 -2.9038 0.7820 0.8088 1.2950 1.3055 2.0133 2.0490 3.0782 3.0816 3.9139 3.9319 4.9289 4.9296 7.2152 7.2170 8.1736 8.1749 8.7675 8.7678 9.9969 10.0025 k = 0.4886 0.2821-0.0000 ( 12034 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6382 -3.6382 -2.9063 -2.9063 0.7919 0.8059 1.2704 1.2764 2.0317 2.0495 3.0751 3.0768 3.9025 3.9117 4.9249 4.9252 7.2127 7.2136 8.1704 8.1711 8.7654 8.7655 10.0026 10.0053 k = 0.5000 0.2887-0.0000 ( 12042 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6340 -3.6340 -2.9072 -2.9072 0.8003 0.8003 1.2642 1.2642 2.0438 2.0438 3.0746 3.0746 3.9018 3.9018 4.9237 4.9237 7.2122 7.2122 8.1696 8.1696 8.7647 8.7647 10.0053 10.0053 k = 0.5000 0.2887-0.0000 ( 12042 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6340 -3.6340 -2.9072 -2.9072 0.8003 0.8003 1.2642 1.2642 2.0438 2.0438 3.0746 3.0746 3.9018 3.9018 4.9237 4.9237 7.2122 7.2122 8.1696 8.1696 8.7647 8.7647 10.0053 10.0053 k = 0.4936 0.2998-0.0000 ( 12038 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6331 -3.6331 -2.9072 -2.9072 0.8013 0.8016 1.2650 1.2655 2.0412 2.0482 3.0629 3.0741 3.8997 3.9007 4.9110 4.9140 7.2202 7.2244 8.1795 8.1857 8.7511 8.7640 10.0050 10.0255 k = 0.4872 0.3109-0.0000 ( 12024 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6303 -3.6303 -2.9071 -2.9071 0.8043 0.8049 1.2680 1.2690 2.0404 2.0547 3.0390 3.0617 3.8944 3.8963 4.8767 4.8825 7.2484 7.2567 8.2147 8.2265 8.7250 8.7499 10.0243 10.0639 k = 0.4808 0.3220-0.0000 ( 12024 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6257 -3.6257 -2.9069 -2.9069 0.8095 0.8103 1.2731 1.2746 2.0413 2.0631 3.0038 3.0381 3.8859 3.8885 4.8228 4.8305 7.2961 7.3082 8.2723 8.2881 8.6903 8.7260 10.0616 10.1179 k = 0.4744 0.3331-0.0000 ( 12016 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6192 -3.6192 -2.9067 -2.9067 0.8168 0.8178 1.2803 1.2824 2.0434 2.0737 2.9581 3.0046 3.8743 3.8773 4.7517 4.7605 7.3624 7.3781 8.3449 8.3622 8.6549 8.7009 10.1139 10.1840 k = 0.4679 0.3442-0.0000 ( 12016 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6110 -3.6109 -2.9066 -2.9066 0.8261 0.8274 1.2895 1.2923 2.0465 2.0862 2.9033 2.9626 3.8595 3.8624 4.6665 4.6752 7.4461 7.4651 8.4119 8.4277 8.6395 8.6961 10.1782 10.2586 k = 0.4615 0.3553-0.0000 ( 12012 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6009 -3.6009 -2.9065 -2.9065 0.8376 0.8392 1.3008 1.3042 2.0502 2.1008 2.8409 2.9142 3.8415 3.8436 4.5702 4.5776 7.5459 7.5677 8.4288 8.4473 8.6881 8.7483 10.2517 10.3360 k = 0.4551 0.3664-0.0000 ( 12018 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.5891 -3.5890 -2.9066 -2.9066 0.8512 0.8530 1.3140 1.3182 2.0537 2.1171 2.7723 2.8613 3.8201 3.8206 4.4657 4.4702 7.6603 7.6847 8.3953 8.4197 8.8000 8.8587 10.3318 10.4025 k = 0.4487 0.3775-0.0000 ( 12018 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.5755 -3.5754 -2.9070 -2.9070 0.8668 0.8688 1.3290 1.3341 2.0561 2.1350 2.6995 2.8065 3.7927 3.7954 4.3557 4.3560 7.7878 7.8144 8.3438 8.3713 8.9420 9.0001 10.4166 10.4433 k = 0.4423 0.3886-0.0000 ( 12014 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.5602 -3.5601 -2.9077 -2.9077 0.8845 0.8867 1.3458 1.3520 2.0562 2.1538 2.6243 2.7523 3.7590 3.7670 4.2363 4.2439 7.9272 7.9557 8.2869 8.3154 9.1001 9.1581 10.4724 10.5042 k = 0.4359 0.3997-0.0000 ( 12022 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.5433 -3.5432 -2.9089 -2.9089 0.9043 0.9067 1.3641 1.3716 2.0524 2.1723 2.5492 2.7016 3.7181 3.7345 4.1142 4.1327 8.0770 8.1072 8.2292 8.2575 9.2689 9.3263 10.5003 10.5357 k = 0.4295 0.4108-0.0000 ( 12028 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.5247 -3.5246 -2.9107 -2.9107 0.9260 0.9286 1.3839 1.3929 2.0431 2.1877 2.4784 2.6576 3.6677 3.6969 3.9920 4.0261 8.1723 8.1976 8.2382 8.2679 9.4451 9.5007 10.5300 10.5716 k = 0.4231 0.4219-0.0000 ( 12006 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.5046 -3.5045 -2.9132 -2.9132 0.9499 0.9526 1.4048 1.4158 2.0264 2.1929 2.4198 2.6231 3.6051 3.6520 3.8732 3.9281 8.1175 8.1426 8.4043 8.4364 9.6260 9.6776 10.5630 10.6143 k = 0.4167 0.4330-0.0000 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.4831 -3.4830 -2.9166 -2.9166 0.9756 0.9784 1.4265 1.4399 2.0015 2.1756 2.3871 2.6001 3.5283 3.5946 3.7644 3.8418 8.0655 8.0888 8.5788 8.6118 9.8087 9.8530 10.6005 10.6660 k = 0.4103 0.4441-0.0000 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.4601 -3.4600 -2.9210 -2.9210 1.0033 1.0061 1.4485 1.4650 1.9687 2.1308 2.3859 2.5894 3.4383 3.5162 3.6748 3.7674 8.0167 8.0380 8.7594 8.7931 9.9895 10.0215 10.6447 10.7303 k = 0.4038 0.4552-0.0000 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.4358 -3.4356 -2.9267 -2.9267 1.0329 1.0356 1.4701 1.4907 1.9299 2.0703 2.4057 2.5904 3.3392 3.4168 3.6057 3.7019 7.9715 7.9906 8.9452 8.9793 10.1625 10.1758 10.6994 10.8115 k = 0.3974 0.4663-0.0000 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.4102 -3.4101 -2.9337 -2.9337 1.0642 1.0668 1.4903 1.5164 1.8878 2.0051 2.4362 2.6015 3.2357 3.3071 3.5474 3.6418 7.9300 7.9470 9.1351 9.1693 10.3090 10.3186 10.7711 10.9119 k = 0.3910 0.4774-0.0000 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.3835 -3.3833 -2.9423 -2.9422 1.0973 1.0995 1.5075 1.5414 1.8458 1.9408 2.4729 2.6209 3.1318 3.1955 3.4927 3.5844 7.8925 7.9074 9.3280 9.3619 10.4173 10.4465 10.8676 11.0241 k = 0.3846 0.4885-0.0000 ( 11984 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.3557 -3.3556 -2.9525 -2.9525 1.1318 1.1334 1.5195 1.5642 1.8075 1.8809 2.5138 2.6467 3.0311 3.0863 3.4386 3.5278 7.8591 7.8720 9.5224 9.5556 10.5030 10.5412 10.9883 11.1255 k = 0.3782 0.4996-0.0000 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.3271 -3.3269 -2.9647 -2.9647 1.1675 1.1683 1.5237 1.5829 1.7766 1.8281 2.5578 2.6765 2.9373 2.9822 3.3838 3.4711 7.8298 7.8407 9.7167 9.7485 10.5715 10.6091 11.1191 11.1974 k = 0.3718 0.5107-0.0000 ( 11990 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.2977 -3.2975 -2.9789 -2.9789 1.2036 1.2041 1.5182 1.5944 1.7555 1.7859 2.6041 2.7043 2.8577 2.8857 3.3281 3.4138 7.8047 7.8136 9.9087 9.9381 10.6273 10.6592 11.2406 11.2411 k = 0.3654 0.5218-0.0000 ( 11988 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.2676 -3.2675 -2.9953 -2.9953 1.2384 1.2408 1.5040 1.5955 1.7432 1.7576 2.6506 2.7060 2.8005 2.8180 3.2713 3.3556 7.7837 7.7909 10.0950 10.1208 10.6729 10.6969 11.2606 11.3397 k = 0.3590 0.5329-0.0000 ( 11988 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.2371 -3.2370 -3.0141 -3.0140 1.2713 1.2763 1.4851 1.5869 1.7361 1.7424 2.6638 2.6807 2.7452 2.8383 3.2139 3.2965 7.7668 7.7723 10.2710 10.2913 10.7086 10.7239 11.2645 11.4088 k = 0.3526 0.5440-0.0000 ( 11976 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.2063 -3.2062 -3.0353 -3.0352 1.3003 1.3081 1.4670 1.5753 1.7297 1.7342 2.6166 2.6437 2.7722 2.8814 3.1562 3.2364 7.7540 7.7579 10.4295 10.4426 10.7330 10.7399 11.2604 11.4464 k = 0.3462 0.5551-0.0000 ( 11972 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1755 -3.1753 -3.0589 -3.0588 1.3226 1.3318 1.4556 1.5683 1.7218 1.7264 2.5813 2.5998 2.8221 2.9320 3.1000 3.1758 7.7451 7.7476 10.5613 10.5661 10.7431 10.7432 11.2551 11.4619 k = 0.3397 0.5662-0.0000 ( 11967 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1447 -3.1445 -3.0852 -3.0851 1.3363 1.3425 1.4542 1.5690 1.7136 1.7168 2.5617 2.5707 2.8700 2.9858 3.0501 3.1157 7.7401 7.7413 10.6547 10.6565 10.7323 10.7362 11.2535 11.4812 k = 0.3333 0.5774-0.0000 ( 11973 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1161 -3.1158 -3.1123 -3.1123 1.3423 1.3423 1.4567 1.5720 1.7101 1.7101 2.5582 2.5582 2.8945 3.0262 3.0262 3.0720 7.7388 7.7388 10.7046 10.7079 10.7079 10.7131 11.2545 11.4974 k = 0.3333 0.5774-0.0000 ( 11973 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1161 -3.1158 -3.1123 -3.1123 1.3423 1.3423 1.4567 1.5720 1.7101 1.7101 2.5582 2.5582 2.8945 3.0262 3.0262 3.0720 7.7388 7.7388 10.7046 10.7079 10.7079 10.7131 11.2545 11.4974 k = 0.3268 0.5660-0.0000 ( 11963 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1464 -3.1462 -3.0836 -3.0835 1.3382 1.3441 1.4502 1.5640 1.7180 1.7194 2.5615 2.5700 2.8690 2.9803 3.0553 3.1172 7.7402 7.7412 10.6647 10.6663 10.7252 10.7277 11.2486 11.4644 k = 0.3203 0.5547-0.0000 ( 11963 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1812 -3.1811 -3.0540 -3.0539 1.3354 1.3453 1.4285 1.5378 1.7453 1.7463 2.5777 2.5950 2.8194 2.9178 3.1128 3.1820 7.7453 7.7473 10.6073 10.6099 10.7161 10.7178 11.2193 11.3887 k = 0.3137 0.5434-0.0000 ( 11963 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.2187 -3.2185 -3.0255 -3.0255 1.3359 1.3488 1.3947 1.4993 1.7852 1.7889 2.6003 2.6303 2.7689 2.8547 3.1794 3.2508 7.7540 7.7569 10.5373 10.5444 10.6854 10.6916 11.1586 11.2893 k = 0.3072 0.5321-0.0000 ( 11981 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.2587 -3.2585 -2.9985 -2.9984 1.3361 1.3561 1.3591 1.4555 1.8349 1.8399 2.6120 2.6714 2.7376 2.7946 3.2505 3.3225 7.7661 7.7697 10.4598 10.4710 10.6420 10.6523 11.0740 11.1800 k = 0.3007 0.5207-0.0000 ( 11993 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.3011 -3.3009 -2.9731 -2.9730 1.3038 1.3589 1.3683 1.4105 1.8912 1.8959 2.5861 2.6925 2.7520 2.7624 3.3248 3.3968 7.7815 7.7858 10.3773 10.3922 10.5901 10.6036 10.9759 11.0665 k = 0.2941 0.5094-0.0000 ( 11979 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.3457 -3.3455 -2.9496 -2.9496 1.2609 1.3664 1.3757 1.3865 1.9524 1.9548 2.5366 2.6472 2.7977 2.8031 3.4017 3.4735 7.8001 7.8048 10.2921 10.3098 10.5324 10.5484 10.8707 10.9515 k = 0.2876 0.4981-0.0000 ( 11979 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.3924 -3.3922 -2.9285 -2.9285 1.2193 1.3262 1.3993 1.4096 2.0147 2.0172 2.4824 2.5872 2.8565 2.8647 3.4809 3.5525 7.8215 7.8266 10.2054 10.2255 10.4706 10.4884 10.7622 10.8363 k = 0.2810 0.4868-0.0000 ( 11997 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.4410 -3.4408 -2.9099 -2.9099 1.1811 1.2903 1.4292 1.4387 2.0723 2.0851 2.4315 2.5263 2.9227 2.9331 3.5622 3.6336 7.8455 7.8510 10.1184 10.1404 10.4060 10.4250 10.6522 10.7218 k = 0.2745 0.4755-0.0000 ( 12001 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.4913 -3.4911 -2.8941 -2.8940 1.1474 1.2597 1.4650 1.4735 2.1203 2.1552 2.3925 2.4665 2.9941 3.0062 3.6454 3.7168 7.8721 7.8777 10.0319 10.0555 10.3393 10.3592 10.5420 10.6084 k = 0.2680 0.4641-0.0000 ( 11995 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.5430 -3.5428 -2.8813 -2.8812 1.1189 1.2351 1.5067 1.5139 2.1436 2.2261 2.3815 2.4101 3.0697 3.0831 3.7305 3.8019 7.9009 7.9066 9.9467 9.9716 10.2713 10.2916 10.4324 10.4965 k = 0.2614 0.4528-0.0000 ( 12003 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.5960 -3.5958 -2.8716 -2.8716 1.0958 1.2168 1.5540 1.5596 2.1308 2.2873 2.3677 2.4101 3.1489 3.1633 3.8174 3.8887 7.9315 7.9373 9.8633 9.8892 10.2024 10.2228 10.3240 10.3863 k = 0.2549 0.4415-0.0000 ( 12003 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6499 -3.6498 -2.8653 -2.8652 1.0783 1.2051 1.6067 1.6103 2.0940 2.2778 2.4009 2.4670 3.2313 3.2466 3.9058 3.9773 7.9639 7.9695 9.7823 9.8092 10.1326 10.1532 10.2173 10.2781 k = 0.2484 0.4302-0.0000 ( 11999 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.7047 -3.7046 -2.8623 -2.8623 1.0664 1.2001 1.6646 1.6656 2.0482 2.2318 2.4757 2.5377 3.3165 3.3326 3.9957 4.0674 7.9974 8.0029 9.7042 9.7319 10.0617 10.0828 10.1133 10.1723 k = 0.2418 0.4189-0.0000 ( 12007 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.7601 -3.7599 -2.8628 -2.8628 1.0596 1.2013 1.7241 1.7275 2.0016 2.1851 2.5571 2.6158 3.4043 3.4211 4.0870 4.1590 8.0317 8.0370 9.6294 9.6580 9.9854 10.0111 10.0167 10.0699 k = 0.2353 0.4075-0.0000 ( 12011 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.8158 -3.8157 -2.8667 -2.8667 1.0576 1.2083 1.7823 1.7949 1.9609 2.1421 2.6417 2.6986 3.4944 3.5119 4.1795 4.2518 8.0663 8.0712 9.5587 9.5881 9.8946 9.9351 9.9370 9.9741 k = 0.2288 0.3962-0.0000 ( 12005 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.8718 -3.8717 -2.8740 -2.8739 1.0595 1.2201 1.8250 1.8663 1.9434 2.1047 2.7288 2.7850 3.5867 3.6048 4.2731 4.3458 8.1006 8.1050 9.4925 9.5229 9.7970 9.8485 9.8668 9.8917 k = 0.2222 0.3849-0.0000 ( 12001 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.9277 -3.9276 -2.8844 -2.8843 1.0643 1.2352 1.8239 1.9395 1.9791 2.0761 2.8182 2.8743 3.6810 3.6997 4.3676 4.4408 8.1337 8.1375 9.4317 9.4631 9.6996 9.7545 9.7994 9.8195 k = 0.2157 0.3736-0.0000 ( 12013 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.9835 -3.9834 -2.8979 -2.8978 1.0705 1.2512 1.8018 2.0013 2.0477 2.0706 2.9096 2.9663 3.7770 3.7964 4.4628 4.5366 8.1648 8.1679 9.3769 9.4095 9.6038 9.6598 9.7337 9.7514 k = 0.2092 0.3623-0.0000 ( 12013 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -4.0389 -4.0389 -2.9142 -2.9140 1.0768 1.2650 1.7834 2.0138 2.1274 2.1275 3.0031 3.0607 3.8747 3.8947 4.5587 4.6330 8.1927 8.1952 9.3291 9.3631 9.5102 9.5662 9.6696 9.6853 k = 0.2026 0.3509-0.0000 ( 12021 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6608 -40.6608 -4.0938 -4.0938 -2.9331 -2.9328 1.0815 1.2728 1.7773 2.0132 2.2116 2.2134 3.0987 3.1574 3.9738 3.9945 4.6549 4.7298 8.2164 8.2182 9.2886 9.3250 9.4194 9.4745 9.6069 9.6209 k = 0.1961 0.3396-0.0000 ( 12021 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6608 -40.6608 -4.1481 -4.1481 -2.9543 -2.9540 1.0832 1.2714 1.7879 2.0208 2.3027 2.3039 3.1961 3.2563 4.0742 4.0956 4.7513 4.8268 8.2347 8.2358 9.2545 9.2961 9.3336 9.3847 9.5459 9.5583 k = 0.1895 0.3283-0.0000 ( 12025 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6608 -40.6608 -4.2016 -4.2016 -2.9775 -2.9771 1.0806 1.2597 1.8168 2.0401 2.3981 2.3981 3.2955 3.3573 4.1757 4.1979 4.8478 4.9238 8.2464 8.2470 9.2130 9.2673 9.2770 9.2972 9.4866 9.4973 k = 0.1830 0.3170-0.0000 ( 12013 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6608 -40.6608 -4.2541 -4.2541 -3.0025 -3.0020 1.0733 1.2385 1.8630 2.0721 2.4956 2.4970 3.3968 3.4604 4.2780 4.3011 4.9440 5.0206 8.2510 8.2512 9.1411 9.2111 9.2440 9.2688 9.4291 9.4381 k = 0.1765 0.3057-0.0000 ( 12017 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6609 -40.6609 -4.3057 -4.3056 -3.0289 -3.0284 1.0611 1.2101 1.9240 2.1168 2.5962 2.5990 3.4999 3.5653 4.3811 4.4050 5.0398 5.1168 8.2481 8.2482 9.0603 9.1276 9.2418 9.2702 9.3737 9.3807 k = 0.1699 0.2943-0.0000 ( 12009 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6609 -40.6609 -4.3560 -4.3560 -3.0565 -3.0559 1.0443 1.1770 1.9974 2.1735 2.6995 2.7036 3.6048 3.6722 4.4846 4.5095 5.1349 5.2123 8.2382 8.2383 8.9795 9.0460 9.2501 9.2808 9.3212 9.3254 k = 0.1634 0.2830-0.0000 ( 11999 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6609 -40.6609 -4.4052 -4.4051 -3.0850 -3.0844 1.0238 1.1409 2.0810 2.2414 2.8051 2.8106 3.7114 3.7810 4.5883 4.6143 5.2291 5.3068 8.2220 8.2223 8.9000 8.9665 9.2541 9.2714 9.2834 9.2997 k = 0.1569 0.2717-0.0000 ( 11993 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6609 -40.6609 -4.4529 -4.4529 -3.1141 -3.1134 1.0001 1.1033 2.1731 2.3195 2.9129 2.9196 3.8197 3.8914 4.6920 4.7191 5.3221 5.3999 8.2006 8.2011 8.8223 8.8890 9.2133 9.2200 9.2983 9.3233 k = 0.1503 0.2604-0.0000 ( 11965 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6609 -40.6609 -4.4993 -4.4992 -3.1436 -3.1429 0.9743 1.0651 2.2727 2.4066 3.0225 3.0304 3.9296 4.0035 4.7954 4.8237 5.4137 5.4914 8.1752 8.1760 8.7464 8.8134 9.1663 9.1706 9.3246 9.3497 k = 0.1438 0.2491-0.0000 ( 11965 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6609 -40.6609 -4.5441 -4.5440 -3.1733 -3.1725 0.9469 1.0269 2.3788 2.5017 3.1336 3.1427 4.0410 4.1170 4.8982 4.9279 5.5037 5.5811 8.1469 8.1479 8.6723 8.7397 9.1204 9.1231 9.3512 9.3753 k = 0.1373 0.2377-0.0000 ( 11961 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6609 -40.6609 -4.5874 -4.5873 -3.2029 -3.2021 0.9185 0.9892 2.4905 2.6040 3.2458 3.2559 4.1538 4.2318 5.0001 5.0312 5.5918 5.6685 8.1168 8.1179 8.6001 8.6677 9.0763 9.0777 9.3735 9.3960 k = 0.1307 0.2264-0.0000 ( 11973 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6609 -40.6609 -4.6290 -4.6289 -3.2322 -3.2314 0.8898 0.9523 2.6073 2.7127 3.3589 3.3699 4.2680 4.3477 5.1007 5.1335 5.6780 5.7536 8.0855 8.0868 8.5297 8.5975 9.0341 9.0343 9.3870 9.4071 k = 0.1242 0.2151-0.0000 ( 11975 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6609 -40.6609 -4.6689 -4.6688 -3.2610 -3.2602 0.8611 0.9165 2.7287 2.8269 3.4725 3.4843 4.3832 4.4645 5.1999 5.2342 5.7619 5.8361 8.0539 8.0552 8.4610 8.5290 8.9929 8.9937 9.3875 9.4049 k = 0.1176 0.2038-0.0000 ( 11987 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6610 -40.6610 -4.7070 -4.7069 -3.2892 -3.2884 0.8327 0.8819 2.8540 2.9460 3.5862 3.5985 4.4994 4.5817 5.2972 5.3331 5.8435 5.9157 8.0225 8.0236 8.3942 8.4620 8.9536 8.9552 9.3724 9.3875 k = 0.1111 0.1925-0.0000 ( 11977 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6610 -40.6610 -4.7433 -4.7432 -3.3166 -3.3158 0.8050 0.8487 2.9829 3.0695 3.6997 3.7122 4.6162 4.6991 5.3924 5.4299 5.9227 5.9923 7.9917 7.9926 8.3291 8.3966 8.9162 8.9185 9.3413 9.3550 k = 0.1046 0.1811-0.0000 ( 11985 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6610 -40.6610 -4.7778 -4.7777 -3.3431 -3.3423 0.7782 0.8171 3.1148 3.1965 3.8125 3.8250 4.7332 4.8160 5.4852 5.5240 5.9994 6.0658 7.9618 7.9624 8.2658 8.3326 8.8808 8.8837 9.2948 9.3083 k = 0.0980 0.1698-0.0000 ( 11983 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6610 -40.6610 -4.8104 -4.8103 -3.3686 -3.3678 0.7524 0.7871 3.2492 3.3266 3.9242 3.9364 4.8500 4.9317 5.5755 5.6153 6.0734 6.1360 7.9331 7.9334 8.2043 8.2700 8.8474 8.8506 9.2338 9.2480 k = 0.0915 0.1585-0.0000 ( 11981 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6610 -40.6610 -4.8410 -4.8409 -3.3928 -3.3920 0.7278 0.7587 3.3855 3.4590 4.0343 4.0459 4.9660 5.0454 5.6633 5.7035 6.1448 6.2028 7.9056 7.9058 8.1446 8.2089 8.8159 8.8194 9.1584 9.1742 k = 0.0850 0.1472-0.0000 ( 11983 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6610 -40.6610 -4.8696 -4.8695 -3.4158 -3.4151 0.7046 0.7321 3.5231 3.5930 4.1425 4.1530 5.0803 5.1560 5.7487 5.7882 6.2135 6.2663 7.8793 7.8800 8.0869 8.1492 8.7863 8.7900 9.0692 9.0869 k = 0.0784 0.1358-0.0000 ( 11983 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6610 -40.6610 -4.8962 -4.8962 -3.4374 -3.4367 0.6829 0.7072 3.6611 3.7277 4.2482 4.2573 5.1920 5.2621 5.8319 5.8694 6.2794 6.3264 7.8546 7.8559 8.0313 8.0911 8.7586 8.7623 8.9672 8.9869 k = 0.0719 0.1245-0.0000 ( 11983 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6610 -40.6610 -4.9208 -4.9207 -3.4576 -3.4569 0.6626 0.6841 3.7988 3.8622 4.3510 4.3583 5.2998 5.3623 5.9133 5.9471 6.3424 6.3830 7.8314 7.8335 7.9780 8.0347 8.7329 8.7360 8.8547 8.8758 k = 0.0654 0.1132-0.0000 ( 11981 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6610 -4.9434 -4.9433 -3.4762 -3.4756 0.6440 0.6630 3.9350 3.9952 4.4504 4.4558 5.4022 5.4550 5.9931 6.0214 6.4024 6.4360 7.8098 7.8127 7.9274 7.9802 8.7066 8.7086 8.7392 8.7567 k = 0.0588 0.1019-0.0000 ( 12003 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -4.9638 -4.9638 -3.4932 -3.4926 0.6271 0.6436 4.0682 4.1251 4.5462 4.5494 5.4974 5.5386 6.0714 6.0925 6.4592 6.4853 7.7896 7.7935 7.8799 7.9282 8.6041 8.6303 8.6887 8.6942 k = 0.0523 0.0906-0.0000 ( 11999 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -4.9822 -4.9821 -3.5086 -3.5081 0.6119 0.6262 4.1967 4.2501 4.6380 4.6390 5.5835 5.6120 6.1476 6.1607 6.5125 6.5308 7.7708 7.7758 7.8359 7.8791 8.4789 8.5049 8.6688 8.6734 k = 0.0458 0.0792-0.0000 ( 11987 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -4.9984 -4.9983 -3.5223 -3.5218 0.5985 0.6108 4.3184 4.3676 4.7248 4.7256 5.6585 5.6744 6.2206 6.2261 6.5620 6.5722 7.7529 7.7591 7.7962 7.8337 8.3564 8.3818 8.6513 8.6554 k = 0.0392 0.0679-0.0000 ( 11995 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0125 -5.0124 -3.5342 -3.5338 0.5869 0.5972 4.4305 4.4747 4.8069 4.8089 5.7209 5.7258 6.2881 6.2886 6.6074 6.6093 7.7356 7.7427 7.7618 7.7931 8.2412 8.2654 8.6362 8.6398 k = 0.0327 0.0566-0.0000 ( 11997 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0244 -5.0244 -3.5444 -3.5440 0.5772 0.5856 4.5301 4.5682 4.8850 4.8875 5.7663 5.7698 6.3457 6.3495 6.6419 6.6477 7.7180 7.7234 7.7358 7.7584 8.1377 8.1599 8.6233 8.6264 k = 0.0261 0.0453-0.0000 ( 11997 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0342 -5.0342 -3.5527 -3.5524 0.5693 0.5760 4.6145 4.6454 4.9581 4.9601 5.7966 5.8051 6.3970 6.4013 6.6700 6.6819 7.6998 7.7012 7.7184 7.7307 8.0500 8.0693 8.6128 8.6154 k = 0.0196 0.0340-0.0000 ( 11973 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0418 -5.0418 -3.5592 -3.5590 0.5634 0.5683 4.6817 4.7047 5.0230 5.0241 5.8181 5.8280 6.4396 6.4426 6.6935 6.7087 7.6819 7.6821 7.7035 7.7094 7.9817 7.9971 8.6047 8.6066 k = 0.0131 0.0226-0.0000 ( 11983 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0473 -5.0473 -3.5638 -3.5637 0.5593 0.5626 4.7306 4.7457 5.0751 5.0755 5.8320 5.8405 6.4714 6.4726 6.7126 6.7266 7.6673 7.6675 7.6907 7.6934 7.9347 7.9453 8.5989 8.6003 k = 0.0065 0.0113-0.0000 ( 11981 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0505 -5.0505 -3.5666 -3.5665 0.5572 0.5588 4.7612 4.7687 5.1092 5.1092 5.8404 5.8452 6.4908 6.4909 6.7267 6.7352 7.6579 7.6579 7.6818 7.6829 7.9086 7.9140 8.5956 8.5963 k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0516 -5.0516 -3.5675 -3.5675 0.5570 0.5570 4.7738 4.7738 5.1210 5.1210 5.8447 5.8447 6.4972 6.4972 6.7348 6.7348 7.6546 7.6546 7.6789 7.6789 7.9020 7.9020 8.5948 8.5948 k = 0.0000 0.0000 0.0000 ( 11981 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0516 -5.0516 -3.5675 -3.5675 0.5570 0.5570 4.7738 4.7738 5.1210 5.1210 5.8447 5.8447 6.4972 6.4972 6.7348 6.7348 7.6546 7.6546 7.6789 7.6789 7.9020 7.9020 8.5948 8.5948 k = 0.0000 0.0000 0.0128 ( 11981 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0506 -5.0506 -3.5702 -3.5702 0.5623 0.5623 4.7749 4.7749 5.1221 5.1221 5.8408 5.8408 6.4949 6.4949 6.7170 6.7170 7.6562 7.6562 7.6803 7.6803 7.9030 7.9030 8.6100 8.6100 k = 0.0000 0.0000 0.0257 ( 11987 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0474 -5.0474 -3.5783 -3.5783 0.5779 0.5779 4.7779 4.7779 5.1253 5.1253 5.8288 5.8288 6.4881 6.4881 6.6661 6.6661 7.6612 7.6612 7.6843 7.6843 7.9060 7.9060 8.6532 8.6532 k = 0.0000 0.0000 0.0385 ( 11987 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6611 -40.6611 -5.0420 -5.0420 -3.5916 -3.5916 0.6038 0.6038 4.7831 4.7831 5.1307 5.1307 5.8078 5.8078 6.4768 6.4768 6.5885 6.5885 7.6695 7.6695 7.6910 7.6910 7.9109 7.9109 8.7172 8.7172 k = 0.0000 0.0000 0.0514 ( 12011 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6612 -40.6612 -5.0346 -5.0346 -3.6100 -3.6100 0.6398 0.6398 4.7902 4.7902 5.1382 5.1382 5.7764 5.7764 6.4614 6.4614 6.4924 6.4924 7.6810 7.6810 7.7004 7.7004 7.9178 7.9178 8.7927 8.7927 k = 0.0000 0.0000 0.0642 ( 11993 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6632 -40.6632 -40.6612 -40.6612 -5.0250 -5.0250 -3.6330 -3.6330 0.6856 0.6856 4.7994 4.7994 5.1478 5.1478 5.7319 5.7319 6.3867 6.3867 6.4418 6.4418 7.6956 7.6956 7.7123 7.7123 7.9267 7.9267 8.8695 8.8695 k = 0.0000 0.0000 0.0771 ( 11999 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6612 -40.6612 -5.0134 -5.0134 -3.6605 -3.6605 0.7407 0.7407 4.8106 4.8106 5.1596 5.1596 5.6712 5.6712 6.2801 6.2801 6.4185 6.4185 7.7133 7.7133 7.7269 7.7269 7.9376 7.9376 8.9379 8.9379 k = 0.0000 0.0000 0.0899 ( 11987 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6612 -40.6612 -4.9996 -4.9996 -3.6919 -3.6919 0.8049 0.8049 4.8237 4.8237 5.1734 5.1734 5.5904 5.5904 6.1801 6.1801 6.3917 6.3917 7.7339 7.7339 7.7441 7.7441 7.9504 7.9504 8.9902 8.9902 k = 0.0000 0.0000 0.1027 ( 12023 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6613 -40.6613 -4.9838 -4.9838 -3.7270 -3.7270 0.8776 0.8776 4.8389 4.8389 5.1893 5.1893 5.4877 5.4877 6.0917 6.0917 6.3618 6.3618 7.7573 7.7573 7.7639 7.7639 7.9651 7.9651 9.0222 9.0222 k = 0.0000 0.0000 0.1156 ( 12023 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6631 -40.6631 -40.6613 -40.6613 -4.9658 -4.9658 -3.7652 -3.7652 0.9585 0.9585 4.8559 4.8559 5.2072 5.2072 5.3643 5.3643 6.0162 6.0162 6.3290 6.3290 7.7836 7.7836 7.7863 7.7863 7.9819 7.9819 9.0344 9.0344 k = 0.0000 0.0000 0.1284 ( 12011 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6613 -40.6613 -4.9459 -4.9459 -3.8061 -3.8061 1.0471 1.0471 4.8749 4.8749 5.2239 5.2239 5.2271 5.2271 5.9516 5.9516 6.2936 6.2936 7.8113 7.8113 7.8125 7.8125 8.0006 8.0006 9.0296 9.0296 k = 0.0000 0.0000 0.1413 ( 11999 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6630 -40.6630 -40.6614 -40.6614 -4.9239 -4.9239 -3.8493 -3.8493 1.1429 1.1429 4.8958 4.8958 5.0713 5.0713 5.2490 5.2490 5.8947 5.8947 6.2561 6.2561 7.8389 7.8389 7.8441 7.8441 8.0212 8.0212 9.0117 9.0117 k = 0.0000 0.0000 0.1541 ( 11999 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6614 -40.6614 -4.8999 -4.8999 -3.8944 -3.8944 1.2455 1.2455 4.9102 4.9102 4.9184 4.9184 5.2729 5.2729 5.8427 5.8427 6.2166 6.2166 7.8691 7.8691 7.8782 7.8782 8.0437 8.0437 8.9843 8.9843 k = 0.0000 0.0000 0.1669 ( 12011 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6615 -40.6615 -4.8740 -4.8740 -3.9411 -3.9411 1.3546 1.3546 4.7436 4.7436 4.9429 4.9429 5.2986 5.2986 5.7939 5.7939 6.1755 6.1755 7.9019 7.9019 7.9149 7.9149 8.0680 8.0680 8.9499 8.9499 k = 0.0000 0.0000 0.1798 ( 12023 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6615 -40.6615 -4.8461 -4.8461 -3.9890 -3.9890 1.4696 1.4696 4.5735 4.5735 4.9691 4.9691 5.3262 5.3262 5.7470 5.7470 6.1331 6.1331 7.9373 7.9373 7.9541 7.9541 8.0942 8.0942 8.9108 8.9108 k = 0.0000 0.0000 0.1926 ( 12029 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6616 -40.6616 -4.8164 -4.8164 -4.0377 -4.0377 1.5904 1.5904 4.4014 4.4014 4.9970 4.9970 5.3556 5.3556 5.7012 5.7012 6.0897 6.0897 7.9753 7.9753 7.9958 7.9958 8.1222 8.1222 8.8683 8.8683 k = 0.0000 0.0000 0.2055 ( 12011 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6627 -40.6627 -40.6616 -40.6616 -4.7847 -4.7847 -4.0869 -4.0869 1.7165 1.7165 4.2284 4.2284 5.0266 5.0266 5.3867 5.3867 5.6561 5.6561 6.0454 6.0454 8.0158 8.0158 8.0399 8.0399 8.1521 8.1521 8.8237 8.8237 k = 0.0000 0.0000 0.2183 ( 12017 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6627 -40.6627 -40.6617 -40.6617 -4.7513 -4.7513 -4.1364 -4.1364 1.8475 1.8475 4.0553 4.0553 5.0577 5.0577 5.4195 5.4195 5.6116 5.6116 6.0006 6.0006 8.0588 8.0588 8.0864 8.0864 8.1837 8.1837 8.7777 8.7777 k = 0.0000 0.0000 0.2312 ( 12011 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6626 -40.6626 -40.6618 -40.6618 -4.7161 -4.7161 -4.1859 -4.1859 1.9833 1.9833 3.8827 3.8827 5.0903 5.0903 5.4539 5.4539 5.5674 5.5674 5.9555 5.9555 8.1043 8.1043 8.1354 8.1354 8.2169 8.2169 8.7309 8.7309 k = 0.0000 0.0000 0.2440 ( 12011 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6625 -40.6625 -40.6618 -40.6618 -4.6792 -4.6792 -4.2352 -4.2352 2.1234 2.1234 3.7111 3.7111 5.1243 5.1243 5.4899 5.4899 5.5236 5.5236 5.9103 5.9103 8.1522 8.1522 8.1867 8.1867 8.2518 8.2518 8.6840 8.6840 k = 0.0000 0.0000 0.2568 ( 12011 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6625 -40.6625 -40.6619 -40.6619 -4.6407 -4.6407 -4.2840 -4.2840 2.2677 2.2677 3.5410 3.5410 5.1597 5.1597 5.4803 5.4803 5.5272 5.5272 5.8652 5.8652 8.2025 8.2025 8.2404 8.2404 8.2881 8.2881 8.6374 8.6374 k = 0.0000 0.0000 0.2697 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6624 -40.6624 -40.6620 -40.6620 -4.6006 -4.6006 -4.3323 -4.3323 2.4159 2.4159 3.3726 3.3726 5.1963 5.1963 5.4375 5.4375 5.5659 5.5659 5.8203 5.8203 8.2549 8.2549 8.2965 8.2965 8.3257 8.3257 8.5915 8.5915 k = 0.0000 0.0000 0.2825 ( 12012 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6623 -40.6623 -40.6620 -40.6620 -4.5590 -4.5590 -4.3797 -4.3797 2.5677 2.5677 3.2063 3.2063 5.2341 5.2341 5.3952 5.3952 5.6059 5.6059 5.7759 5.7759 8.3092 8.3092 8.3549 8.3549 8.3638 8.3638 8.5469 8.5469 k = 0.0000 0.0000 0.2954 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6621 -40.6621 -4.5160 -4.5160 -4.4263 -4.4263 2.7229 2.7229 3.0425 3.0425 5.2730 5.2730 5.3537 5.3537 5.6470 5.6470 5.7321 5.7321 8.3637 8.3637 8.3995 8.3995 8.4156 8.4156 8.5052 8.5052 k = 0.0000 0.0000 0.3082 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4717 -4.4717 -4.4717 -4.4717 2.8812 2.8812 2.8812 2.8812 5.3129 5.3129 5.3129 5.3129 5.6891 5.6891 5.6891 5.6891 8.4085 8.4085 8.4085 8.4085 8.4768 8.4768 8.4768 8.4768 k = 0.0000 0.0000 0.3082 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4717 -4.4717 -4.4717 -4.4717 2.8812 2.8812 2.8812 2.8812 5.3129 5.3129 5.3129 5.3129 5.6891 5.6891 5.6891 5.6891 8.4085 8.4085 8.4085 8.4085 8.4768 8.4768 8.4768 8.4768 k = 0.0114 0.0066 0.3082 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4707 -4.4707 -4.4707 -4.4707 2.8795 2.8795 2.8834 2.8834 5.2994 5.2994 5.3108 5.3108 5.6802 5.6802 5.6803 5.6803 8.3920 8.3920 8.4265 8.4265 8.4480 8.4480 8.4743 8.4743 k = 0.0227 0.0131 0.3082 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4675 -4.4675 -4.4675 -4.4675 2.8783 2.8783 2.8862 2.8862 5.2699 5.2699 5.2932 5.2932 5.6540 5.6540 5.6550 5.6550 8.3774 8.3774 8.4179 8.4179 8.4591 8.4591 8.4886 8.4886 k = 0.0341 0.0197 0.3082 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4623 -4.4623 -4.4622 -4.4622 2.8774 2.8774 2.8894 2.8894 5.2241 5.2241 5.2599 5.2599 5.6130 5.6130 5.6161 5.6161 8.3636 8.3636 8.3978 8.3978 8.4947 8.4947 8.5181 8.5181 k = 0.0455 0.0262 0.3082 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4549 -4.4549 -4.4548 -4.4548 2.8767 2.8767 2.8929 2.8929 5.1621 5.1621 5.2107 5.2107 5.5608 5.5608 5.5671 5.5671 8.3491 8.3491 8.3782 8.3782 8.5413 8.5413 8.5609 8.5609 k = 0.0568 0.0328 0.3082 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4455 -4.4455 -4.4453 -4.4453 2.8761 2.8761 2.8968 2.8968 5.0845 5.0845 5.1457 5.1457 5.5015 5.5015 5.5114 5.5114 8.3332 8.3332 8.3581 8.3581 8.5986 8.5986 8.6158 8.6158 k = 0.0682 0.0394 0.3082 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4339 -4.4339 -4.4337 -4.4337 2.8752 2.8752 2.9006 2.9006 4.9929 4.9929 5.0657 5.0657 5.4382 5.4382 5.4515 5.4515 8.3152 8.3152 8.3370 8.3370 8.6659 8.6659 8.6814 8.6814 k = 0.0795 0.0459 0.3082 ( 11992 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4203 -4.4203 -4.4201 -4.4201 2.8737 2.8737 2.9041 2.9041 4.8894 4.8894 4.9726 4.9726 5.3732 5.3732 5.3891 5.3891 8.2953 8.2953 8.3144 8.3144 8.7424 8.7424 8.7569 8.7569 k = 0.0909 0.0525 0.3082 ( 11988 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.4047 -4.4047 -4.4044 -4.4044 2.8711 2.8711 2.9070 2.9070 4.7769 4.7769 4.8693 4.8693 5.3076 5.3076 5.3251 5.3251 8.2733 8.2733 8.2902 8.2902 8.8272 8.8272 8.8410 8.8410 k = 0.1023 0.0590 0.3082 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.3870 -4.3870 -4.3867 -4.3867 2.8669 2.8669 2.9087 2.9087 4.6582 4.6582 4.7588 4.7588 5.2416 5.2416 5.2599 5.2599 8.2495 8.2495 8.2646 8.2646 8.9193 8.9193 8.9327 8.9327 k = 0.1136 0.0656 0.3082 ( 12006 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.3673 -4.3673 -4.3670 -4.3670 2.8602 2.8602 2.9083 2.9083 4.5361 4.5361 4.6444 4.6444 5.1754 5.1754 5.1940 5.1940 8.2240 8.2240 8.2376 8.2376 9.0180 9.0180 9.0311 9.0311 k = 0.1250 0.0722 0.3082 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.3457 -4.3457 -4.3453 -4.3453 2.8502 2.8502 2.9050 2.9050 4.4133 4.4133 4.5290 4.5290 5.1090 5.1090 5.1276 5.1276 8.1972 8.1972 8.2095 8.2095 9.1222 9.1222 9.1354 9.1354 k = 0.1364 0.0787 0.3082 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.3221 -4.3221 -4.3217 -4.3217 2.8356 2.8356 2.8975 2.8975 4.2925 4.2925 4.4154 4.4154 5.0426 5.0426 5.0609 5.0609 8.1692 8.1692 8.1804 8.1804 9.2311 9.2311 9.2445 9.2445 k = 0.1477 0.0853 0.3082 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.2967 -4.2967 -4.2963 -4.2963 2.8152 2.8152 2.8841 2.8841 4.1765 4.1765 4.3063 4.3063 4.9763 4.9763 4.9943 4.9943 8.1404 8.1404 8.1505 8.1505 9.3438 9.3438 9.3576 9.3576 k = 0.1591 0.0919 0.3082 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.2694 -4.2694 -4.2689 -4.2689 2.7873 2.7873 2.8627 2.8627 4.0682 4.0682 4.2042 4.2042 4.9105 4.9105 4.9281 4.9281 8.1108 8.1108 8.1201 8.1201 9.4593 9.4593 9.4738 9.4738 k = 0.1705 0.0984 0.3082 ( 12006 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.2403 -4.2403 -4.2398 -4.2398 2.7503 2.7503 2.8312 2.8312 3.9707 3.9707 4.1116 4.1116 4.8452 4.8452 4.8625 4.8625 8.0809 8.0809 8.0894 8.0894 9.5765 9.5765 9.5921 9.5921 k = 0.1818 0.1050 0.3082 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.2095 -4.2095 -4.2090 -4.2090 2.7030 2.7030 2.7873 2.7873 3.8867 3.8867 4.0305 4.0305 4.7809 4.7809 4.7979 4.7979 8.0507 8.0507 8.0585 8.0585 9.6937 9.6937 9.7114 9.7114 k = 0.1932 0.1115 0.3082 ( 12008 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.1770 -4.1770 -4.1765 -4.1765 2.6443 2.6443 2.7294 2.7294 3.8183 3.8183 3.9622 3.9622 4.7176 4.7176 4.7343 4.7343 8.0206 8.0206 8.0278 8.0278 9.8076 9.8076 9.8296 9.8296 k = 0.2045 0.1181 0.3082 ( 12014 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -4.1430 -4.1430 -4.1424 -4.1424 2.5741 2.5741 2.6573 2.6573 3.7662 3.7662 3.9075 3.9075 4.6556 4.6556 4.6722 4.6722 7.9907 7.9907 7.9973 7.9973 9.9082 9.9082 9.9408 9.9408 k = 0.2159 0.1247 0.3082 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -4.1074 -4.1074 -4.1068 -4.1068 2.4931 2.4931 2.5720 2.5720 3.7297 3.7297 3.8660 3.8660 4.5953 4.5953 4.6116 4.6116 7.9611 7.9611 7.9673 7.9673 9.9564 9.9564 10.0111 10.0111 k = 0.2273 0.1312 0.3082 ( 11992 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -4.0703 -4.0703 -4.0698 -4.0698 2.4024 2.4024 2.4755 2.4755 3.7069 3.7069 3.8367 3.8367 4.5366 4.5366 4.5529 4.5529 7.9322 7.9322 7.9378 7.9378 9.9217 9.9217 9.9778 9.9778 k = 0.2386 0.1378 0.3082 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -4.0320 -4.0320 -4.0314 -4.0314 2.3039 2.3039 2.3704 2.3704 3.6956 3.6956 3.8180 3.8180 4.4800 4.4800 4.4962 4.4962 7.9039 7.9039 7.9091 7.9091 9.8459 9.8459 9.8977 9.8977 k = 0.2500 0.1443 0.3082 ( 12006 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -3.9924 -3.9924 -3.9919 -3.9919 2.1994 2.1994 2.2591 2.2591 3.6934 3.6934 3.8082 3.8082 4.4256 4.4256 4.4418 4.4418 7.8765 7.8765 7.8814 7.8814 9.7530 9.7530 9.8016 9.8016 k = 0.2614 0.1509 0.3082 ( 12016 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -3.9518 -3.9518 -3.9512 -3.9512 2.0905 2.0905 2.1438 2.1438 3.6982 3.6982 3.8057 3.8057 4.3736 4.3736 4.3899 4.3899 7.8501 7.8501 7.8546 7.8546 9.6513 9.6513 9.6975 9.6975 k = 0.2727 0.1575 0.3082 ( 12024 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -3.9102 -3.9102 -3.9096 -3.9096 1.9791 1.9791 2.0263 2.0263 3.7082 3.7082 3.8088 3.8088 4.3244 4.3244 4.3407 4.3407 7.8248 7.8248 7.8290 7.8290 9.5449 9.5449 9.5891 9.5891 k = 0.2841 0.1640 0.3082 ( 12018 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -3.8678 -3.8678 -3.8673 -3.8673 1.8664 1.8664 1.9081 1.9081 3.7218 3.7218 3.8160 3.8160 4.2784 4.2784 4.2946 4.2946 7.8007 7.8007 7.8047 7.8047 9.4365 9.4365 9.4788 9.4788 k = 0.2955 0.1706 0.3082 ( 12006 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.8248 -3.8248 -3.8243 -3.8243 1.7535 1.7535 1.7905 1.7905 3.7377 3.7377 3.8258 3.8258 4.2359 4.2359 4.2520 4.2520 7.7780 7.7780 7.7818 7.7818 9.3275 9.3275 9.3681 9.3681 k = 0.3068 0.1771 0.3082 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.7814 -3.7814 -3.7809 -3.7809 1.6416 1.6416 1.6742 1.6742 3.7546 3.7546 3.8368 3.8368 4.1978 4.1978 4.2134 4.2134 7.7568 7.7568 7.7604 7.7604 9.2193 9.2193 9.2582 9.2582 k = 0.3182 0.1837 0.3082 ( 11990 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.7378 -3.7378 -3.7373 -3.7373 1.5314 1.5314 1.5603 1.5603 3.7712 3.7712 3.8473 3.8473 4.1650 4.1650 4.1795 4.1795 7.7372 7.7372 7.7407 7.7407 9.1126 9.1126 9.1500 9.1500 k = 0.3295 0.1903 0.3082 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.6943 -3.6943 -3.6937 -3.6937 1.4238 1.4238 1.4492 1.4492 3.7861 3.7861 3.8555 3.8555 4.1387 4.1387 4.1512 4.1512 7.7193 7.7193 7.7226 7.7226 9.0083 9.0083 9.0441 9.0441 k = 0.3409 0.1968 0.3082 ( 11978 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.6510 -3.6510 -3.6505 -3.6505 1.3194 1.3194 1.3418 1.3418 3.7978 3.7978 3.8594 3.8594 4.1203 4.1203 4.1294 4.1294 7.7031 7.7031 7.7064 7.7064 8.9070 8.9070 8.9411 8.9411 k = 0.3523 0.2034 0.3082 ( 11990 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.6083 -3.6083 -3.6078 -3.6078 1.2188 1.2188 1.2386 1.2386 3.8049 3.8049 3.8578 3.8578 4.1107 4.1107 4.1152 4.1152 7.6888 7.6888 7.6921 7.6921 8.8091 8.8091 8.8416 8.8416 k = 0.3636 0.2099 0.3082 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.5665 -3.5665 -3.5661 -3.5661 1.1226 1.1226 1.1400 1.1400 3.8068 3.8068 3.8504 3.8504 4.1088 4.1088 4.1096 4.1096 7.6765 7.6765 7.6797 7.6797 8.7152 8.7152 8.7459 8.7459 k = 0.3750 0.2165 0.3082 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.5259 -3.5259 -3.5255 -3.5255 1.0314 1.0314 1.0467 1.0467 3.8034 3.8034 3.8383 3.8383 4.1099 4.1099 4.1157 4.1157 7.6662 7.6662 7.6694 7.6694 8.6257 8.6257 8.6547 8.6547 k = 0.3864 0.2231 0.3082 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.4870 -3.4870 -3.4866 -3.4866 0.9458 0.9458 0.9592 0.9592 3.7959 3.7959 3.8232 3.8232 4.1171 4.1171 4.1266 4.1266 7.6580 7.6580 7.6613 7.6613 8.5410 8.5410 8.5681 8.5681 k = 0.3977 0.2296 0.3082 ( 11990 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.4500 -3.4500 -3.4497 -3.4497 0.8663 0.8663 0.8779 0.8779 3.7855 3.7855 3.8068 3.8068 4.1286 4.1286 4.1405 4.1405 7.6519 7.6519 7.6553 7.6553 8.4615 8.4615 8.4867 8.4867 k = 0.4091 0.2362 0.3082 ( 11990 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.4154 -3.4154 -3.4151 -3.4151 0.7934 0.7934 0.8034 0.8034 3.7738 3.7738 3.7904 3.7904 4.1427 4.1427 4.1556 4.1556 7.6480 7.6480 7.6514 7.6514 8.3877 8.3877 8.4109 8.4109 k = 0.4205 0.2427 0.3082 ( 11970 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.3836 -3.3836 -3.3833 -3.3833 0.7277 0.7277 0.7361 0.7361 3.7618 3.7618 3.7748 3.7748 4.1579 4.1579 4.1708 4.1708 7.6461 7.6461 7.6496 7.6496 8.3201 8.3201 8.3412 8.3412 k = 0.4318 0.2493 0.3082 ( 11978 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.3549 -3.3549 -3.3547 -3.3547 0.6695 0.6695 0.6766 0.6766 3.7504 3.7504 3.7605 3.7605 4.1731 4.1731 4.1853 4.1853 7.6462 7.6462 7.6497 7.6497 8.2592 8.2592 8.2780 8.2780 k = 0.4432 0.2559 0.3082 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.3299 -3.3299 -3.3297 -3.3297 0.6195 0.6195 0.6252 0.6252 3.7401 3.7401 3.7479 3.7479 4.1874 4.1874 4.1983 4.1983 7.6479 7.6479 7.6514 7.6514 8.2056 8.2056 8.2219 8.2219 k = 0.4545 0.2624 0.3082 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.3088 -3.3088 -3.3087 -3.3087 0.5779 0.5779 0.5825 0.5825 3.7314 3.7314 3.7372 3.7372 4.2002 4.2002 4.2093 4.2093 7.6510 7.6510 7.6542 7.6542 8.1601 8.1601 8.1738 8.1738 k = 0.4659 0.2690 0.3082 ( 11990 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2921 -3.2921 -3.2919 -3.2919 0.5453 0.5453 0.5487 0.5487 3.7246 3.7246 3.7287 3.7287 4.2109 4.2109 4.2180 4.2180 7.6548 7.6548 7.6575 7.6575 8.1236 8.1236 8.1343 8.1343 k = 0.4773 0.2756 0.3082 ( 11990 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2799 -3.2799 -3.2798 -3.2798 0.5220 0.5220 0.5242 0.5242 3.7197 3.7197 3.7224 3.7224 4.2192 4.2192 4.2240 4.2240 7.6586 7.6586 7.6606 7.6606 8.0970 8.0970 8.1044 8.1044 k = 0.4886 0.2821 0.3082 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2724 -3.2724 -3.2724 -3.2724 0.5081 0.5081 0.5092 0.5092 3.7170 3.7170 3.7183 3.7183 4.2248 4.2248 4.2272 4.2272 7.6615 7.6615 7.6627 7.6627 8.0814 8.0814 8.0852 8.0852 k = 0.5000 0.2887 0.3082 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2699 -3.2699 -3.2699 -3.2699 0.5038 0.5038 0.5038 0.5038 3.7165 3.7165 3.7165 3.7165 4.2274 4.2274 4.2274 4.2274 7.6630 7.6630 7.6630 7.6630 8.0774 8.0774 8.0774 8.0774 k = 0.5000 0.2887 0.3082 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2699 -3.2699 -3.2699 -3.2699 0.5038 0.5038 0.5038 0.5038 3.7165 3.7165 3.7165 3.7165 4.2274 4.2274 4.2274 4.2274 7.6630 7.6630 7.6630 7.6630 8.0774 8.0774 8.0774 8.0774 k = 0.4936 0.2998 0.3082 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2694 -3.2694 -3.2693 -3.2693 0.5031 0.5031 0.5061 0.5061 3.6836 3.6836 3.7227 3.7227 4.2157 4.2157 4.2543 4.2543 7.6688 7.6688 7.6717 7.6717 8.0775 8.0775 8.0821 8.0821 k = 0.4872 0.3109 0.3082 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2676 -3.2676 -3.2675 -3.2675 0.5042 0.5042 0.5102 0.5102 3.6298 3.6298 3.7000 3.7000 4.2216 4.2216 4.2906 4.2906 7.6887 7.6887 7.6939 7.6939 8.0827 8.0827 8.0925 8.0925 k = 0.4808 0.3220 0.3082 ( 11974 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2646 -3.2646 -3.2645 -3.2645 0.5070 0.5070 0.5161 0.5161 3.5608 3.5608 3.6521 3.6521 4.2418 4.2418 4.3309 4.3309 7.7208 7.7208 7.7275 7.7275 8.0943 8.0943 8.1100 8.1100 k = 0.4744 0.3331 0.3082 ( 11976 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2605 -3.2605 -3.2604 -3.2604 0.5113 0.5113 0.5236 0.5236 3.4809 3.4809 3.5856 3.5856 4.2709 4.2709 4.3719 4.3719 7.7615 7.7615 7.7687 7.7687 8.1149 8.1149 8.1376 8.1376 k = 0.4679 0.3442 0.3082 ( 11984 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2552 -3.2552 -3.2551 -3.2551 0.5173 0.5173 0.5328 0.5328 3.3928 3.3928 3.5061 3.5061 4.3040 4.3040 4.4118 4.4118 7.8049 7.8049 7.8123 7.8123 8.1489 8.1489 8.1797 8.1797 k = 0.4615 0.3553 0.3082 ( 11988 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2488 -3.2488 -3.2487 -3.2487 0.5248 0.5248 0.5438 0.5438 3.2986 3.2986 3.4177 3.4177 4.3385 4.3385 4.4496 4.4496 7.8446 7.8446 7.8525 7.8525 8.2018 8.2018 8.2405 8.2405 k = 0.4551 0.3664 0.3082 ( 11996 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2415 -3.2415 -3.2413 -3.2413 0.5337 0.5337 0.5563 0.5563 3.2000 3.2000 3.3234 3.3234 4.3727 4.3727 4.4851 4.4851 7.8764 7.8764 7.8849 7.8849 8.2770 8.2770 8.3222 8.3222 k = 0.4487 0.3775 0.3082 ( 12006 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2331 -3.2331 -3.2330 -3.2330 0.5440 0.5440 0.5705 0.5705 3.0981 3.0981 3.2250 3.2250 4.4058 4.4058 4.5183 4.5183 7.8998 7.8998 7.9082 7.9082 8.3743 8.3743 8.4239 8.4239 k = 0.4423 0.3886 0.3082 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2239 -3.2239 -3.2237 -3.2237 0.5556 0.5556 0.5863 0.5863 2.9940 2.9940 3.1243 3.1243 4.4376 4.4376 4.5492 4.5492 7.9165 7.9165 7.9239 7.9239 8.4901 8.4901 8.5425 8.5425 k = 0.4359 0.3997 0.3082 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2138 -3.2138 -3.2136 -3.2136 0.5684 0.5684 0.6035 0.6035 2.8889 2.8889 3.0224 3.0224 4.4679 4.4679 4.5782 4.5782 7.9280 7.9280 7.9344 7.9344 8.6208 8.6208 8.6746 8.6746 k = 0.4295 0.4108 0.3082 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2030 -3.2030 -3.2028 -3.2028 0.5821 0.5821 0.6221 0.6221 2.7835 2.7835 2.9206 2.9206 4.4967 4.4967 4.6054 4.6054 7.9358 7.9358 7.9412 7.9412 8.7628 8.7628 8.8172 8.8172 k = 0.4231 0.4219 0.3082 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1916 -3.1916 -3.1915 -3.1915 0.5967 0.5967 0.6420 0.6420 2.6788 2.6788 2.8198 2.8198 4.5241 4.5241 4.6311 4.6311 7.9406 7.9406 7.9453 7.9453 8.9132 8.9132 8.9672 8.9672 k = 0.4167 0.4330 0.3082 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1798 -3.1798 -3.1796 -3.1796 0.6120 0.6120 0.6630 0.6630 2.5756 2.5756 2.7210 2.7210 4.5502 4.5502 4.6554 4.6554 7.9431 7.9431 7.9476 7.9476 9.0689 9.0689 9.1214 9.1214 k = 0.4103 0.4441 0.3082 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1676 -3.1676 -3.1674 -3.1674 0.6277 0.6277 0.6849 0.6849 2.4746 2.4746 2.6250 2.6250 4.5749 4.5749 4.6784 4.6784 7.9435 7.9435 7.9482 7.9482 9.2262 9.2262 9.2755 9.2755 k = 0.4038 0.4552 0.3082 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1551 -3.1551 -3.1550 -3.1550 0.6435 0.6435 0.7075 0.7075 2.3766 2.3766 2.5327 2.5327 4.5983 4.5983 4.7002 4.7002 7.9421 7.9421 7.9474 7.9474 9.3794 9.3794 9.4234 9.4234 k = 0.3974 0.4663 0.3082 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1427 -3.1427 -3.1425 -3.1425 0.6592 0.6592 0.7306 0.7306 2.2826 2.2826 2.4450 2.4450 4.6204 4.6204 4.7207 4.7207 7.9393 7.9393 7.9453 7.9453 9.5194 9.5194 9.5547 9.5547 k = 0.3910 0.4774 0.3082 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1304 -3.1304 -3.1302 -3.1302 0.6744 0.6744 0.7537 0.7537 2.1933 2.1933 2.3626 2.3626 4.6411 4.6411 4.7400 4.7400 7.9352 7.9352 7.9419 7.9419 9.6316 9.6316 9.6555 9.6555 k = 0.3846 0.4885 0.3082 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1184 -3.1184 -3.1183 -3.1183 0.6888 0.6888 0.7765 0.7765 2.1095 2.1095 2.2865 2.2865 4.6603 4.6603 4.7579 4.7579 7.9300 7.9300 7.9374 7.9374 9.7011 9.7011 9.7164 9.7164 k = 0.3782 0.4996 0.3082 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1070 -3.1070 -3.1068 -3.1068 0.7019 0.7019 0.7984 0.7984 2.0324 2.0324 2.2174 2.2174 4.6779 4.6779 4.7744 4.7744 7.9240 7.9240 7.9319 7.9319 9.7275 9.7275 9.7432 9.7432 k = 0.3718 0.5107 0.3082 ( 11964 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.0964 -3.0964 -3.0962 -3.0962 0.7135 0.7135 0.8190 0.8190 1.9628 1.9628 2.1561 2.1561 4.6938 4.6938 4.7893 4.7893 7.9174 7.9174 7.9258 7.9258 9.7280 9.7280 9.7477 9.7477 k = 0.3654 0.5218 0.3082 ( 11968 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.0867 -3.0867 -3.0865 -3.0865 0.7232 0.7232 0.8374 0.8374 1.9018 1.9018 2.1033 2.1033 4.7077 4.7077 4.8024 4.8024 7.9106 7.9106 7.9193 7.9193 9.7177 9.7177 9.7407 9.7407 k = 0.3590 0.5329 0.3082 ( 11976 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.0783 -3.0783 -3.0781 -3.0781 0.7308 0.7308 0.8531 0.8531 1.8506 1.8506 2.0597 2.0597 4.7195 4.7195 4.8136 4.8136 7.9040 7.9040 7.9128 7.9128 9.7045 9.7045 9.7298 9.7298 k = 0.3526 0.5440 0.3082 ( 11964 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6617 -40.6617 -40.6617 -40.6617 -3.0713 -3.0713 -3.0711 -3.0711 0.7362 0.7362 0.8654 0.8654 1.8100 1.8100 2.0257 2.0257 4.7290 4.7290 4.8226 4.8226 7.8981 7.8981 7.9068 7.9068 9.6921 9.6921 9.7188 9.7188 k = 0.3462 0.5551 0.3082 ( 11972 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6617 -40.6617 -3.0660 -3.0660 -3.0658 -3.0658 0.7396 0.7396 0.8740 0.8740 1.7808 1.7808 2.0015 2.0015 4.7360 4.7360 4.8293 4.8293 7.8932 7.8932 7.9018 7.9018 9.6824 9.6824 9.7101 9.7101 k = 0.3397 0.5662 0.3082 ( 11952 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6617 -40.6617 -40.6617 -40.6617 -3.0627 -3.0627 -3.0625 -3.0625 0.7412 0.7412 0.8788 0.8788 1.7635 1.7635 1.9872 1.9872 4.7404 4.7404 4.8334 4.8334 7.8899 7.8899 7.8983 7.8983 9.6764 9.6764 9.7046 9.7046 k = 0.3333 0.5774 0.3082 ( 11958 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6617 -40.6617 -40.6617 -40.6617 -3.0615 -3.0615 -3.0613 -3.0613 0.7416 0.7416 0.8802 0.8802 1.7578 1.7578 1.9825 1.9825 4.7418 4.7418 4.8348 4.8348 7.8887 7.8887 7.8971 7.8971 9.6744 9.6744 9.7027 9.7027 k = 0.3333 0.5774 0.3082 ( 11958 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6617 -40.6617 -40.6617 -40.6617 -3.0615 -3.0615 -3.0613 -3.0613 0.7416 0.7416 0.8802 0.8802 1.7578 1.7578 1.9825 1.9825 4.7418 4.7418 4.8348 4.8348 7.8887 7.8887 7.8971 7.8971 9.6744 9.6744 9.7027 9.7027 k = 0.3268 0.5660 0.3082 ( 11960 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6617 -40.6617 -40.6617 -40.6617 -3.0628 -3.0628 -3.0626 -3.0626 0.7414 0.7414 0.8791 0.8791 1.7634 1.7634 1.9872 1.9872 4.7403 4.7403 4.8333 4.8333 7.8901 7.8901 7.8986 7.8986 9.6765 9.6765 9.7046 9.7046 k = 0.3203 0.5547 0.3082 ( 11962 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6617 -40.6617 -40.6617 -40.6617 -3.0668 -3.0668 -3.0666 -3.0666 0.7417 0.7417 0.8766 0.8766 1.7796 1.7796 2.0008 2.0008 4.7354 4.7354 4.8287 4.8287 7.8947 7.8947 7.9035 7.9035 9.6825 9.6825 9.7102 9.7102 k = 0.3137 0.5434 0.3082 ( 11958 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6617 -40.6617 -40.6617 -40.6617 -3.0736 -3.0736 -3.0734 -3.0734 0.7433 0.7433 0.8742 0.8742 1.8051 1.8051 2.0226 2.0226 4.7273 4.7273 4.8208 4.8208 7.9028 7.9028 7.9124 7.9124 9.6920 9.6920 9.7192 9.7192 k = 0.3072 0.5321 0.3082 ( 11954 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6617 -40.6617 -40.6617 -40.6617 -3.0834 -3.0834 -3.0832 -3.0832 0.7471 0.7471 0.8732 0.8732 1.8388 1.8388 2.0518 2.0518 4.7158 4.7158 4.8097 4.8097 7.9150 7.9150 7.9257 7.9257 9.7046 9.7046 9.7310 9.7310 k = 0.3007 0.5207 0.3082 ( 11962 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.0963 -3.0963 -3.0961 -3.0961 0.7540 0.7540 0.8750 0.8750 1.8794 1.8794 2.0877 2.0877 4.7009 4.7009 4.7953 4.7953 7.9315 7.9315 7.9436 7.9436 9.7197 9.7197 9.7449 9.7449 k = 0.2941 0.5094 0.3082 ( 11970 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1124 -3.1124 -3.1122 -3.1122 0.7647 0.7647 0.8805 0.8805 1.9259 1.9259 2.1296 2.1296 4.6828 4.6828 4.7778 4.7778 7.9527 7.9527 7.9663 7.9663 9.7363 9.7363 9.7602 9.7602 k = 0.2876 0.4981 0.3082 ( 11980 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1316 -3.1316 -3.1314 -3.1314 0.7799 0.7799 0.8907 0.8907 1.9775 1.9775 2.1768 2.1768 4.6616 4.6616 4.7572 4.7572 7.9786 7.9786 7.9941 7.9941 9.7535 9.7535 9.7759 9.7759 k = 0.2810 0.4868 0.3082 ( 11972 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1539 -3.1539 -3.1537 -3.1537 0.8001 0.8001 0.9061 0.9061 2.0335 2.0335 2.2288 2.2288 4.6375 4.6375 4.7339 4.7339 8.0095 8.0095 8.0268 8.0268 9.7700 9.7700 9.7906 9.7906 k = 0.2745 0.4755 0.3082 ( 11984 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.1793 -3.1793 -3.1790 -3.1790 0.8256 0.8256 0.9271 0.9271 2.0933 2.0933 2.2851 2.2851 4.6107 4.6107 4.7079 4.7079 8.0454 8.0454 8.0646 8.0646 9.7844 9.7844 9.8029 9.8029 k = 0.2680 0.4641 0.3082 ( 11984 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2075 -3.2075 -3.2072 -3.2072 0.8566 0.8566 0.9542 0.9542 2.1564 2.1564 2.3453 2.3453 4.5814 4.5814 4.6796 4.6796 8.0860 8.0860 8.1071 8.1071 9.7948 9.7948 9.8110 9.8110 k = 0.2614 0.4528 0.3082 ( 11996 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2385 -3.2385 -3.2382 -3.2382 0.8934 0.8934 0.9873 0.9873 2.2225 2.2225 2.4089 2.4089 4.5501 4.5501 4.6492 4.6492 8.1313 8.1313 8.1543 8.1543 9.7991 9.7991 9.8126 9.8126 k = 0.2549 0.4415 0.3082 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2720 -3.2720 -3.2716 -3.2716 0.9359 0.9359 1.0266 1.0266 2.2912 2.2912 2.4756 2.4756 4.5169 4.5169 4.6173 4.6173 8.1810 8.1810 8.2059 8.2059 9.7954 9.7954 9.8059 9.8059 k = 0.2484 0.4302 0.3082 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.3078 -3.3078 -3.3074 -3.3074 0.9841 0.9841 1.0720 1.0720 2.3621 2.3621 2.5452 2.5452 4.4824 4.4824 4.5840 4.5840 8.2348 8.2348 8.2614 8.2614 9.7825 9.7825 9.7895 9.7895 k = 0.2418 0.4189 0.3082 ( 11988 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.3456 -3.3456 -3.3452 -3.3452 1.0379 1.0379 1.1234 1.1234 2.4350 2.4350 2.6173 2.6173 4.4469 4.4469 4.5499 4.5499 8.2922 8.2922 8.3204 8.3204 9.7593 9.7593 9.7637 9.7637 k = 0.2353 0.4075 0.3082 ( 11968 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.3853 -3.3853 -3.3848 -3.3848 1.0972 1.0972 1.1806 1.1806 2.5097 2.5097 2.6917 2.6917 4.4108 4.4108 4.5154 4.5154 8.3526 8.3526 8.3824 8.3824 9.7252 9.7252 9.7313 9.7313 k = 0.2288 0.3962 0.3082 ( 11980 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.4264 -3.4264 -3.4260 -3.4260 1.1617 1.1617 1.2433 1.2433 2.5858 2.5858 2.7680 2.7680 4.3745 4.3745 4.4809 4.4809 8.4155 8.4155 8.4465 8.4465 9.6826 9.6826 9.6936 9.6936 k = 0.2222 0.3849 0.3082 ( 11984 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.4689 -3.4689 -3.4684 -3.4684 1.2312 1.2312 1.3115 1.3115 2.6631 2.6631 2.8460 2.8460 4.3385 4.3385 4.4468 4.4468 8.4799 8.4799 8.5119 8.5119 9.6350 9.6350 9.6519 9.6519 k = 0.2157 0.3736 0.3082 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.5124 -3.5124 -3.5119 -3.5119 1.3054 1.3054 1.3846 1.3846 2.7412 2.7412 2.9254 2.9254 4.3033 4.3033 4.4138 4.4138 8.5448 8.5448 8.5774 8.5774 9.5849 9.5849 9.6083 9.6083 k = 0.2092 0.3623 0.3082 ( 11980 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.5566 -3.5566 -3.5561 -3.5561 1.3840 1.3840 1.4625 1.4625 2.8198 2.8198 3.0059 3.0059 4.2695 4.2695 4.3824 4.3824 8.6088 8.6088 8.6413 8.6413 9.5347 9.5347 9.5654 9.5654 k = 0.2026 0.3509 0.3082 ( 11988 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.6014 -3.6014 -3.6008 -3.6008 1.4666 1.4666 1.5448 1.5448 2.8986 2.8986 3.0870 3.0870 4.2377 4.2377 4.3531 4.3531 8.6699 8.6699 8.7015 8.7015 9.4863 9.4863 9.5256 9.5256 k = 0.1961 0.3396 0.3082 ( 11992 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.6465 -3.6465 -3.6459 -3.6459 1.5529 1.5529 1.6310 1.6310 2.9770 2.9770 3.1682 3.1682 4.2088 4.2088 4.3267 4.3267 8.7255 8.7255 8.7553 8.7553 9.4418 9.4418 9.4916 9.4916 k = 0.1895 0.3283 0.3082 ( 11984 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.6916 -3.6916 -3.6910 -3.6910 1.6424 1.6424 1.7208 1.7208 3.0546 3.0546 3.2490 3.2490 4.1836 4.1836 4.3040 4.3040 8.7726 8.7726 8.7994 8.7994 9.4033 9.4033 9.4657 9.4657 k = 0.1830 0.3170 0.3082 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.7367 -3.7367 -3.7361 -3.7361 1.7345 1.7345 1.8137 1.8137 3.1307 3.1307 3.3285 3.3285 4.1633 4.1633 4.2858 4.2858 8.8074 8.8074 8.8308 8.8308 9.3724 9.3724 9.4497 9.4497 k = 0.1765 0.3057 0.3082 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.7814 -3.7814 -3.7808 -3.7808 1.8288 1.8288 1.9091 1.9091 3.2046 3.2046 3.4056 3.4056 4.1493 4.1493 4.2732 4.2732 8.8267 8.8267 8.8475 8.8475 9.3500 9.3500 9.4431 9.4431 k = 0.1699 0.2943 0.3082 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.8256 -3.8256 -3.8250 -3.8250 1.9244 1.9244 2.0063 2.0063 3.2757 3.2757 3.4793 3.4793 4.1435 4.1435 4.2674 4.2674 8.8295 8.8295 8.8495 8.8495 9.3343 9.3343 9.4421 9.4421 k = 0.1634 0.2830 0.3082 ( 11992 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6619 -40.6619 -3.8692 -3.8692 -3.8686 -3.8686 2.0208 2.0208 2.1046 2.1046 3.3433 3.3433 3.5480 3.5480 4.1478 4.1478 4.2694 4.2694 8.8182 8.8182 8.8385 8.8385 9.3216 9.3216 9.4405 9.4405 k = 0.1569 0.2717 0.3082 ( 11996 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -3.9120 -3.9120 -3.9114 -3.9114 2.1168 2.1168 2.2030 2.2030 3.4067 3.4067 3.6105 3.6105 4.1642 4.1642 4.2805 4.2805 8.7964 8.7964 8.8173 8.8173 9.3069 9.3069 9.4324 9.4324 k = 0.1503 0.2604 0.3082 ( 11992 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -3.9538 -3.9538 -3.9532 -3.9532 2.2116 2.2116 2.3003 2.3003 3.4661 3.4661 3.6665 3.6665 4.1940 4.1940 4.3015 4.3015 8.7676 8.7676 8.7891 8.7891 9.2870 9.2870 9.4143 9.4143 k = 0.1438 0.2491 0.3082 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -3.9946 -3.9946 -3.9940 -3.9940 2.3037 2.3037 2.3952 2.3952 3.5220 3.5220 3.7168 3.7168 4.2372 4.2372 4.3328 4.3328 8.7347 8.7347 8.7566 8.7566 9.2603 9.2603 9.3860 9.3860 k = 0.1373 0.2377 0.3082 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -4.0343 -4.0343 -4.0337 -4.0337 2.3918 2.3918 2.4859 2.4859 3.5758 3.5758 3.7640 3.7640 4.2923 4.2923 4.3745 4.3745 8.6997 8.6997 8.7219 8.7219 9.2274 9.2274 9.3494 9.3494 k = 0.1307 0.2264 0.3082 ( 11996 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -4.0726 -4.0726 -4.0720 -4.0720 2.4745 2.4745 2.5706 2.5706 3.6300 3.6300 3.8114 3.8114 4.3567 4.3567 4.4258 4.4258 8.6637 8.6637 8.6864 8.6864 9.1894 9.1894 9.3069 9.3069 k = 0.1242 0.2151 0.3082 ( 12016 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -4.1095 -4.1095 -4.1090 -4.1090 2.5503 2.5503 2.6473 2.6473 3.6874 3.6874 3.8624 3.8624 4.4279 4.4279 4.4857 4.4857 8.6279 8.6279 8.6511 8.6511 9.1476 9.1476 9.2603 9.2603 k = 0.1176 0.2038 0.3082 ( 12012 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6620 -40.6620 -4.1450 -4.1450 -4.1445 -4.1445 2.6179 2.6179 2.7143 2.7143 3.7510 3.7510 3.9200 3.9200 4.5034 4.5034 4.5530 4.5530 8.5929 8.5929 8.6168 8.6168 9.1032 9.1032 9.2113 9.2113 k = 0.1111 0.1925 0.3082 ( 12016 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.1790 -4.1790 -4.1784 -4.1784 2.6765 2.6765 2.7703 2.7703 3.8231 3.8231 3.9858 3.9858 4.5815 4.5815 4.6260 4.6260 8.5592 8.5592 8.5838 8.5838 9.0572 9.0572 9.1608 9.1608 k = 0.1046 0.1811 0.3082 ( 12022 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.2113 -4.2113 -4.2108 -4.2108 2.7256 2.7256 2.8151 2.8151 3.9049 3.9049 4.0610 4.0610 4.6610 4.6610 4.7034 4.7034 8.5272 8.5272 8.5526 8.5526 9.0104 9.0104 9.1096 9.1096 k = 0.0980 0.1698 0.3082 ( 12014 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.2419 -4.2419 -4.2415 -4.2415 2.7656 2.7656 2.8492 2.8492 3.9965 3.9965 4.1455 4.1455 4.7412 4.7412 4.7833 4.7833 8.4972 8.4972 8.5234 8.5234 8.9632 8.9632 9.0582 9.0582 k = 0.0915 0.1585 0.3082 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.2708 -4.2708 -4.2704 -4.2704 2.7972 2.7972 2.8738 2.8738 4.0970 4.0970 4.2386 4.2386 4.8216 4.8216 4.8644 4.8644 8.4696 8.4696 8.4965 8.4965 8.9162 8.9162 9.0069 9.0069 k = 0.0850 0.1472 0.3082 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.2980 -4.2980 -4.2975 -4.2975 2.8214 2.8214 2.8906 2.8906 4.2049 4.2049 4.3389 4.3389 4.9019 4.9019 4.9455 4.9455 8.4444 8.4444 8.4722 8.4722 8.8696 8.8696 8.9561 8.9561 k = 0.0784 0.1358 0.3082 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.3232 -4.3232 -4.3228 -4.3228 2.8394 2.8394 2.9012 2.9012 4.3184 4.3184 4.4447 4.4447 4.9816 4.9816 5.0256 5.0256 8.4220 8.4220 8.4505 8.4505 8.8238 8.8238 8.9059 8.9059 k = 0.0719 0.1245 0.3082 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.3466 -4.3466 -4.3462 -4.3462 2.8523 2.8523 2.9070 2.9070 4.4354 4.4354 4.5542 4.5542 5.0604 5.0604 5.1041 5.1041 8.4025 8.4025 8.4316 8.4316 8.7789 8.7789 8.8565 8.8565 k = 0.0654 0.1132 0.3082 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.3681 -4.3681 -4.3678 -4.3678 2.8614 2.8614 2.9093 2.9093 4.5538 4.5538 4.6650 4.6650 5.1379 5.1379 5.1802 5.1802 8.3861 8.3861 8.4157 8.4157 8.7353 8.7353 8.8081 8.8081 k = 0.0588 0.1019 0.3082 ( 11992 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.3876 -4.3876 -4.3873 -4.3873 2.8675 2.8675 2.9091 2.9091 4.6717 4.6717 4.7748 4.7748 5.2138 5.2138 5.2537 5.2537 8.3729 8.3729 8.4030 8.4030 8.6931 8.6931 8.7608 8.7608 k = 0.0523 0.0906 0.3082 ( 11996 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6621 -40.6621 -4.4052 -4.4052 -4.4049 -4.4049 2.8714 2.8714 2.9071 2.9071 4.7864 4.7864 4.8809 4.8809 5.2880 5.2880 5.3242 5.3242 8.3631 8.3631 8.3936 8.3936 8.6526 8.6526 8.7149 8.7149 k = 0.0458 0.0792 0.3082 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4207 -4.4207 -4.4204 -4.4204 2.8739 2.8739 2.9041 2.9041 4.8957 4.8957 4.9805 4.9805 5.3603 5.3603 5.3914 5.3914 8.3568 8.3568 8.3877 8.3877 8.6138 8.6138 8.6704 8.6704 k = 0.0392 0.0679 0.3082 ( 12000 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4342 -4.4342 -4.4340 -4.4340 2.8753 2.8753 2.9005 2.9005 4.9967 4.9967 5.0705 5.0705 5.4305 5.4305 5.4551 5.4551 8.3541 8.3541 8.3856 8.3856 8.5771 8.5771 8.6277 8.6277 k = 0.0327 0.0566 0.3082 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4457 -4.4457 -4.4455 -4.4455 2.8761 2.8761 2.8967 2.8967 5.0868 5.0868 5.1483 5.1483 5.4974 5.4974 5.5149 5.5149 8.3549 8.3549 8.3875 8.3875 8.5427 8.5427 8.5871 8.5871 k = 0.0261 0.0453 0.3082 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4550 -4.4550 -4.4549 -4.4549 2.8768 2.8768 2.8929 2.8929 5.1633 5.1633 5.2120 5.2120 5.5591 5.5591 5.5697 5.5697 8.3593 8.3593 8.3937 8.3937 8.5107 8.5107 8.5492 8.5492 k = 0.0196 0.0340 0.3082 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4623 -4.4623 -4.4622 -4.4622 2.8774 2.8774 2.8893 2.8893 5.2248 5.2248 5.2605 5.2605 5.6125 5.6125 5.6175 5.6175 8.3671 8.3671 8.4046 8.4046 8.4813 8.4813 8.5153 8.5153 k = 0.0131 0.0226 0.3082 ( 11998 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4676 -4.4676 -4.4675 -4.4675 2.8783 2.8783 2.8861 2.8861 5.2701 5.2701 5.2934 5.2934 5.6539 5.6539 5.6556 5.6556 8.3781 8.3781 8.4203 8.4203 8.4551 8.4551 8.4887 8.4887 k = 0.0065 0.0113 0.3082 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4707 -4.4707 -4.4707 -4.4707 2.8795 2.8795 2.8834 2.8834 5.2994 5.2994 5.3109 5.3109 5.6802 5.6802 5.6804 5.6804 8.3921 8.3921 8.4265 8.4265 8.4479 8.4479 8.4745 8.4745 k = 0.0000 0.0000 0.3082 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6622 -40.6622 -4.4717 -4.4717 -4.4717 -4.4717 2.8812 2.8812 2.8812 2.8812 5.3129 5.3129 5.3129 5.3129 5.6891 5.6891 5.6891 5.6891 8.4085 8.4085 8.4085 8.4085 8.4768 8.4768 8.4768 8.4768 k = 0.5000 0.2887 0.3082 ( 12004 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6618 -40.6618 -3.2699 -3.2699 -3.2699 -3.2699 0.5038 0.5038 0.5038 0.5038 3.7165 3.7165 3.7165 3.7165 4.2274 4.2274 4.2274 4.2274 7.6630 7.6630 7.6630 7.6630 8.0774 8.0774 8.0774 8.0774 k = 0.5000 0.2887 0.2954 ( 12002 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6617 -40.6617 -3.2943 -3.2943 -3.2455 -3.2455 0.4841 0.4841 0.5267 0.5267 3.6625 3.6625 3.7697 3.7697 4.1427 4.1427 4.3058 4.3058 7.6463 7.6463 7.6666 7.6666 8.0357 8.0357 8.1475 8.1475 k = 0.5000 0.2887 0.2825 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6617 -40.6617 -3.3186 -3.3186 -3.2212 -3.2212 0.4678 0.4678 0.5527 0.5527 3.6084 3.6084 3.8194 3.8194 4.0561 4.0561 4.3753 4.3753 7.6213 7.6213 7.6557 7.6557 8.0251 8.0251 8.2397 8.2397 k = 0.5000 0.2887 0.2697 ( 11964 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6616 -40.6616 -3.3425 -3.3425 -3.1971 -3.1971 0.4550 0.4550 0.5815 0.5815 3.5542 3.5542 3.8503 3.8503 3.9844 3.9844 4.4344 4.4344 7.5921 7.5921 7.6362 7.6362 8.0410 8.0410 8.3486 8.3486 k = 0.5000 0.2887 0.2568 ( 11978 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6615 -40.6615 -3.3662 -3.3662 -3.1734 -3.1734 0.4458 0.4458 0.6130 0.6130 3.4994 3.4994 3.8109 3.8109 3.9811 3.9811 4.4818 4.4818 7.5612 7.5612 7.6171 7.6171 8.0755 8.0755 8.4704 8.4704 k = 0.5000 0.2887 0.2440 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6615 -40.6615 -3.3893 -3.3893 -3.1501 -3.1501 0.4403 0.4403 0.6470 0.6470 3.4428 3.4428 3.7250 3.7250 4.0244 4.0244 4.5168 4.5168 7.5300 7.5300 7.6049 7.6049 8.1228 8.1228 8.6027 8.6027 k = 0.5000 0.2887 0.2312 ( 11972 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6614 -40.6614 -3.4119 -3.4119 -3.1274 -3.1274 0.4387 0.4387 0.6832 0.6832 3.3823 3.3823 3.6333 3.6333 4.0763 4.0763 4.5394 4.5394 7.4993 7.4993 7.6030 7.6030 8.1795 8.1795 8.7436 8.7436 k = 0.5000 0.2887 0.2183 ( 11984 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6623 -40.6623 -40.6613 -40.6613 -3.4338 -3.4338 -3.1054 -3.1054 0.4408 0.4408 0.7213 0.7213 3.3147 3.3147 3.5468 3.5468 4.1291 4.1291 4.5505 4.5505 7.4696 7.4696 7.6127 7.6127 8.2441 8.2441 8.8918 8.8918 k = 0.5000 0.2887 0.2055 ( 11988 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6623 -40.6623 -40.6613 -40.6613 -3.4549 -3.4549 -3.0841 -3.0841 0.4467 0.4467 0.7611 0.7611 3.2369 3.2369 3.4710 3.4710 4.1795 4.1795 4.5523 4.5523 7.4411 7.4411 7.6334 7.6334 8.3160 8.3160 9.0460 9.0460 k = 0.5000 0.2887 0.1926 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6624 -40.6624 -40.6612 -40.6612 -3.4751 -3.4751 -3.0638 -3.0638 0.4564 0.4564 0.8022 0.8022 3.1486 3.1486 3.4078 3.4078 4.2244 4.2244 4.5486 4.5486 7.4140 7.4140 7.6640 7.6640 8.3950 8.3950 9.2054 9.2054 k = 0.5000 0.2887 0.1798 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6625 -40.6625 -40.6611 -40.6611 -3.4944 -3.4944 -3.0444 -3.0444 0.4698 0.4698 0.8444 0.8444 3.0523 3.0523 3.3554 3.3554 4.2587 4.2587 4.5453 4.5453 7.3884 7.3884 7.7023 7.7023 8.4812 8.4812 9.3689 9.3689 k = 0.5000 0.2887 0.1669 ( 11990 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6625 -40.6625 -40.6611 -40.6611 -3.5127 -3.5127 -3.0261 -3.0261 0.4869 0.4869 0.8872 0.8872 2.9517 2.9517 3.3110 3.3110 4.2757 4.2757 4.5504 4.5504 7.3645 7.3645 7.7463 7.7463 8.5746 8.5746 9.5340 9.5340 k = 0.5000 0.2887 0.1541 ( 11990 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6626 -40.6626 -40.6610 -40.6610 -3.5299 -3.5299 -3.0090 -3.0090 0.5073 0.5073 0.9302 0.9302 2.8497 2.8497 3.2727 3.2727 4.2714 4.2714 4.5696 4.5696 7.3422 7.3422 7.7938 7.7938 8.6751 8.6751 9.5486 9.5486 k = 0.5000 0.2887 0.1413 ( 11986 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6626 -40.6626 -40.6610 -40.6610 -3.5460 -3.5460 -2.9930 -2.9930 0.5309 0.5309 0.9730 0.9730 2.7481 2.7481 3.2390 3.2390 4.2482 4.2482 4.6016 4.6016 7.3216 7.3216 7.8428 7.8428 8.7822 8.7822 9.4371 9.4371 k = 0.5000 0.2887 0.1284 ( 11994 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6627 -40.6627 -40.6610 -40.6610 -3.5608 -3.5608 -2.9784 -2.9784 0.5574 0.5574 1.0150 1.0150 2.6487 2.6487 3.2092 3.2092 4.2127 4.2127 4.6413 4.6413 7.3027 7.3027 7.8917 7.8917 8.8950 8.8950 9.3316 9.3316 k = 0.5000 0.2887 0.1156 ( 11992 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6627 -40.6627 -40.6609 -40.6609 -3.5744 -3.5744 -2.9650 -2.9650 0.5862 0.5862 1.0557 1.0557 2.5526 2.5526 3.1828 3.1828 4.1706 4.1706 4.6840 4.6840 7.2856 7.2856 7.9389 7.9389 9.0109 9.0109 9.2357 9.2357 k = 0.5000 0.2887 0.1027 ( 11996 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6627 -40.6627 -40.6609 -40.6609 -3.5867 -3.5867 -2.9529 -2.9529 0.6168 0.6168 1.0945 1.0945 2.4609 2.4609 3.1596 3.1596 4.1258 4.1258 4.7270 4.7270 7.2702 7.2702 7.9835 7.9835 9.0988 9.0988 9.1802 9.1802 k = 0.5000 0.2887 0.0899 ( 12014 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6609 -40.6609 -3.5977 -3.5977 -2.9423 -2.9423 0.6486 0.6486 1.1308 1.1308 2.3747 2.3747 3.1393 3.1393 4.0811 4.0811 4.7682 4.7682 7.2567 7.2567 8.0245 8.0245 9.0462 9.0462 9.2769 9.2769 k = 0.5000 0.2887 0.0771 ( 12018 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6608 -40.6608 -3.6072 -3.6072 -2.9330 -2.9330 0.6805 0.6805 1.1639 1.1639 2.2954 2.2954 3.1219 3.1219 4.0385 4.0385 4.8063 4.8063 7.2449 7.2449 8.0614 8.0614 8.9760 8.9760 9.4021 9.4021 k = 0.5000 0.2887 0.0642 ( 12022 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6608 -40.6608 -3.6154 -3.6154 -2.9251 -2.9251 0.7114 0.7114 1.1932 1.1932 2.2241 2.2241 3.1074 3.1074 3.9997 3.9997 4.8403 4.8403 7.2349 7.2349 8.0935 8.0935 8.9135 8.9135 9.5292 9.5292 k = 0.5000 0.2887 0.0514 ( 12016 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6608 -40.6608 -3.6221 -3.6221 -2.9187 -2.9187 0.7400 0.7400 1.2181 1.2181 2.1626 2.1626 3.0955 3.0955 3.9660 3.9660 4.8693 4.8693 7.2268 7.2268 8.1203 8.1203 8.8610 8.8610 9.6545 9.6545 k = 0.5000 0.2887 0.0385 ( 12028 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.6273 -3.6273 -2.9137 -2.9137 0.7647 0.7647 1.2379 1.2379 2.1122 2.1122 3.0863 3.0863 3.9386 3.9386 4.8926 4.8926 7.2204 7.2204 8.1416 8.1416 8.8193 8.8193 9.7744 9.7744 k = 0.5000 0.2887 0.0257 ( 12040 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.6310 -3.6310 -2.9101 -2.9101 0.7839 0.7839 1.2524 1.2524 2.0748 2.0748 3.0798 3.0798 3.9184 3.9184 4.9097 4.9097 7.2158 7.2158 8.1571 8.1571 8.7891 8.7891 9.8834 9.8834 k = 0.5000 0.2887 0.0128 ( 12042 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6608 -40.6608 -3.6333 -3.6333 -2.9079 -2.9079 0.7961 0.7961 1.2612 1.2612 2.0516 2.0516 3.0759 3.0759 3.9060 3.9060 4.9202 4.9202 7.2131 7.2131 8.1664 8.1664 8.7708 8.7708 9.9694 9.9694 k = 0.5000 0.2887-0.0000 ( 12042 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6629 -40.6629 -40.6607 -40.6607 -3.6340 -3.6340 -2.9072 -2.9072 0.8003 0.8003 1.2642 1.2642 2.0438 2.0438 3.0746 3.0746 3.9018 3.9018 4.9237 4.9237 7.2122 7.2122 8.1696 8.1696 8.7647 8.7647 10.0053 10.0053 k = 0.3333 0.5774-0.0000 ( 11973 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1161 -3.1158 -3.1123 -3.1123 1.3423 1.3423 1.4567 1.5720 1.7101 1.7101 2.5582 2.5582 2.8945 3.0262 3.0262 3.0720 7.7388 7.7388 10.7046 10.7079 10.7079 10.7131 11.2545 11.4974 k = 0.3333 0.5774 0.0128 ( 11952 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1158 -3.1156 -3.1121 -3.1121 1.3431 1.3431 1.4516 1.5654 1.7036 1.7036 2.5571 2.5571 2.9040 3.0351 3.0351 3.0800 7.7429 7.7429 10.6934 10.6958 10.6958 10.7005 11.2363 11.4744 k = 0.3333 0.5774 0.0257 ( 11946 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1152 -3.1149 -3.1115 -3.1115 1.3455 1.3455 1.4365 1.5461 1.6844 1.6844 2.5536 2.5536 2.9320 3.0614 3.0614 3.1036 7.7551 7.7551 10.6580 10.6580 10.6582 10.6601 11.1917 11.4176 k = 0.3333 0.5774 0.0385 ( 11946 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1141 -3.1138 -3.1104 -3.1104 1.3493 1.3493 1.4124 1.5157 1.6545 1.6545 2.5471 2.5471 2.9766 3.1040 3.1040 3.1418 7.7755 7.7755 10.5869 10.5914 10.5914 10.5954 11.1417 11.3508 k = 0.3333 0.5774 0.0514 ( 11964 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1125 -3.1123 -3.1090 -3.1090 1.3543 1.3543 1.3807 1.4764 1.6164 1.6164 2.5373 2.5373 3.0358 3.1611 3.1611 3.1932 7.8038 7.8038 10.4795 10.4945 10.4945 10.5025 11.1020 11.2920 k = 0.3333 0.5774 0.0642 ( 11964 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6628 -40.6628 -40.6607 -40.6607 -3.1106 -3.1104 -3.1072 -3.1072 1.3430 1.3601 1.3601 1.4305 1.5729 1.5729 2.5239 2.5239 3.1071 3.2305 3.2305 3.2562 7.8400 7.8400 10.3438 10.3701 10.3701 10.3812 11.0769 11.2485 k = 0.3333 0.5774 0.0771 ( 11964 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6627 -40.6627 -40.6608 -40.6608 -3.1083 -3.1081 -3.1051 -3.1051 1.3008 1.3653 1.3653 1.3802 1.5274 1.5274 2.5069 2.5069 3.1884 3.3101 3.3101 3.3290 7.8838 7.8838 10.1887 10.2245 10.2245 10.2372 11.0640 11.2202 k = 0.3333 0.5774 0.0899 ( 11955 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6627 -40.6627 -40.6608 -40.6608 -3.1057 -3.1055 -3.1026 -3.1026 1.2556 1.3272 1.3664 1.3664 1.4852 1.4852 2.4867 2.4867 3.2776 3.3981 3.3981 3.4101 7.9350 7.9350 10.0217 10.0646 10.0646 10.0778 11.0596 11.2038 k = 0.3333 0.5774 0.1027 ( 11958 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6627 -40.6627 -40.6608 -40.6608 -3.1028 -3.1026 -3.0999 -3.0999 1.2087 1.2729 1.3545 1.3545 1.4568 1.4568 2.4633 2.4633 3.3733 3.4927 3.4927 3.4980 7.9934 7.9934 9.8483 9.8959 9.8959 9.9090 11.0611 11.1960 k = 0.3333 0.5774 0.1156 ( 11952 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6626 -40.6626 -40.6609 -40.6609 -3.0997 -3.0995 -3.0970 -3.0970 1.1611 1.2185 1.3224 1.3224 1.4502 1.4502 2.4372 2.4372 3.4739 3.5913 3.5925 3.5925 8.0588 8.0588 9.6720 9.7225 9.7225 9.7352 11.0668 11.1943 k = 0.3333 0.5774 0.1284 ( 11964 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6626 -40.6626 -40.6609 -40.6609 -3.0964 -3.0962 -3.0939 -3.0939 1.1137 1.1650 1.2787 1.2787 1.4580 1.4580 2.4087 2.4087 3.5783 3.6888 3.6963 3.6963 8.1309 8.1309 9.4953 9.5475 9.5475 9.5595 11.0756 11.1950 k = 0.3333 0.5774 0.1413 ( 11964 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6626 -40.6626 -40.6609 -40.6609 -3.0929 -3.0927 -3.0906 -3.0906 1.0673 1.1129 1.2316 1.2316 1.4723 1.4723 2.3780 2.3780 3.6855 3.7894 3.8029 3.8029 8.2094 8.2094 9.3201 9.3729 9.3729 9.3844 11.0868 11.1988 k = 0.3333 0.5774 0.1541 ( 11970 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6625 -40.6625 -40.6610 -40.6610 -3.0894 -3.0892 -3.0873 -3.0873 1.0225 1.0630 1.1848 1.1848 1.4902 1.4902 2.3455 2.3455 3.7943 3.8920 3.9113 3.9113 8.2939 8.2939 9.1479 9.2006 9.2006 9.2115 11.0999 11.2050 k = 0.3333 0.5774 0.1669 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6625 -40.6625 -40.6610 -40.6610 -3.0858 -3.0856 -3.0840 -3.0840 0.9799 1.0157 1.1397 1.1397 1.5105 1.5105 2.3116 2.3116 3.9038 3.9954 4.0204 4.0204 8.3843 8.3843 8.9802 9.0321 9.0321 9.0423 11.1143 11.2131 k = 0.3333 0.5774 0.1798 ( 11970 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6624 -40.6624 -40.6611 -40.6611 -3.0823 -3.0821 -3.0807 -3.0807 0.9399 0.9714 1.0972 1.0972 1.5328 1.5328 2.2765 2.2765 4.0129 4.0984 4.1290 4.1290 8.4801 8.4801 8.8182 8.8689 8.8689 8.8784 11.1298 11.1320 k = 0.3333 0.5774 0.1926 ( 11964 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6623 -40.6623 -40.6611 -40.6611 -3.0789 -3.0787 -3.0775 -3.0775 0.9029 0.9304 1.0577 1.0577 1.5567 1.5567 2.2406 2.2406 4.1204 4.1998 4.2360 4.2360 8.5803 8.5803 8.6634 8.7131 8.7131 8.7210 10.9915 10.9915 k = 0.3333 0.5774 0.2055 ( 11982 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6623 -40.6623 -40.6612 -40.6612 -3.0756 -3.0755 -3.0744 -3.0744 0.8691 0.8929 1.0216 1.0216 1.5819 1.5819 2.2043 2.2043 4.2250 4.2980 4.3400 4.3400 8.5172 8.5607 8.5607 8.5716 8.6902 8.6902 10.8471 10.8471 k = 0.3333 0.5774 0.2183 ( 11985 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6613 -40.6613 -3.0726 -3.0725 -3.0716 -3.0716 0.8389 0.8593 0.9892 0.9892 1.6081 1.6081 2.1678 2.1678 4.3252 4.3915 4.4394 4.4394 8.3813 8.4227 8.4227 8.4319 8.8001 8.8001 10.7008 10.7008 k = 0.3333 0.5774 0.2312 ( 11967 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6622 -40.6622 -40.6613 -40.6613 -3.0698 -3.0697 -3.0690 -3.0690 0.8125 0.8296 0.9608 0.9608 1.6351 1.6351 2.1317 2.1317 4.4194 4.4783 4.5324 4.5324 8.2575 8.2954 8.2954 8.3035 8.9154 8.9154 10.5536 10.5536 k = 0.3333 0.5774 0.2440 ( 11955 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6621 -40.6621 -40.6614 -40.6614 -3.0674 -3.0673 -3.0668 -3.0668 0.7901 0.8041 0.9365 0.9365 1.6624 1.6624 2.0966 2.0966 4.5055 4.5564 4.6169 4.6169 8.1480 8.1817 8.1817 8.1884 9.0351 9.0351 10.4064 10.4064 k = 0.3333 0.5774 0.2568 ( 11967 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6615 -40.6615 -3.0653 -3.0653 -3.0649 -3.0649 0.7717 0.7827 0.9163 0.9163 1.6893 1.6893 2.0631 2.0631 4.5815 4.6237 4.6908 4.6908 8.0549 8.0838 8.0838 8.0889 9.1588 9.1588 10.2598 10.2598 k = 0.3333 0.5774 0.2697 ( 11967 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6620 -40.6620 -40.6615 -40.6615 -3.0637 -3.0637 -3.0633 -3.0633 0.7576 0.7658 0.9006 0.9006 1.7146 1.7146 2.0326 2.0326 4.6451 4.6778 4.7516 4.7516 7.9805 8.0043 8.0043 8.0071 9.2862 9.2862 10.1143 10.1143 k = 0.3333 0.5774 0.2825 ( 11976 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6619 -40.6619 -40.6616 -40.6616 -3.0625 -3.0625 -3.0622 -3.0622 0.7478 0.7532 0.8893 0.8893 1.7365 1.7365 2.0069 2.0069 4.6943 4.7166 4.7971 4.7971 7.9269 7.9452 7.9455 7.9455 9.4170 9.4170 9.9705 9.9705 k = 0.3333 0.5774 0.2954 ( 11967 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6618 -40.6618 -40.6617 -40.6617 -3.0618 -3.0618 -3.0615 -3.0615 0.7424 0.7451 0.8825 0.8825 1.7520 1.7520 1.9891 1.9891 4.7270 4.7383 4.8253 4.8253 7.8960 7.9053 7.9093 7.9093 9.5508 9.5508 9.8289 9.8289 k = 0.3333 0.5774 0.3082 ( 11958 PWs) bands (ev): -94.8144 -94.8144 -94.8144 -94.8144 -40.6617 -40.6617 -40.6617 -40.6617 -3.0615 -3.0615 -3.0613 -3.0613 0.7416 0.7416 0.8802 0.8802 1.7578 1.7578 1.9825 1.9825 4.7418 4.7418 4.8348 4.8348 7.8887 7.8887 7.8971 7.8971 9.6744 9.6744 9.7027 9.7027 Writing output data file LiBeSb.save init_run : 3.32s CPU 10.93s WALL ( 1 calls) electrons : 633.06s CPU 641.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.78s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 633.02s CPU 641.21s WALL ( 1 calls) v_of_rho : 0.28s CPU 0.74s WALL ( 1 calls) v_h : 0.07s CPU 0.08s WALL ( 1 calls) v_xc : 0.21s CPU 0.59s WALL ( 1 calls) newd : 0.54s CPU 0.81s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.21s WALL ( 323 calls) cegterg : 572.18s CPU 575.97s WALL ( 689 calls) Called by sum_band: Called by *egterg: h_psi : 414.90s CPU 422.81s WALL ( 11657 calls) s_psi : 26.90s CPU 27.17s WALL ( 11657 calls) g_psi : 1.30s CPU 1.33s WALL ( 10645 calls) cdiaghg : 76.90s CPU 75.00s WALL ( 10968 calls) cegterg:over : 41.20s CPU 37.91s WALL ( 10645 calls) cegterg:upda : 13.76s CPU 17.50s WALL ( 10645 calls) cegterg:last : 12.28s CPU 13.26s WALL ( 2139 calls) Called by h_psi: h_psi:vloc : 351.83s CPU 357.61s WALL ( 11657 calls) h_psi:vnl : 62.40s CPU 63.92s WALL ( 11657 calls) add_vuspsi : 19.97s CPU 24.05s WALL ( 11657 calls) General routines calbec : 42.37s CPU 39.77s WALL ( 11657 calls) fft : 0.64s CPU 1.46s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 324.43s CPU 327.08s WALL ( 845292 calls) interpolate : 0.28s CPU 0.31s WALL ( 4 calls) davcio : 0.06s CPU 2.38s WALL ( 646 calls) Parallel routines fft_scatter : 196.86s CPU 195.90s WALL ( 845315 calls) PWSCF : 11m37.40s CPU 14m13.49s WALL This run was terminated on: 0:50:28 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=