Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:18:13 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./MgI2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 27 8 2449 1162 181 Max 46 28 10 2458 1186 186 Sum 1639 1003 295 88275 42165 6581 bravais-lattice index = 14 lattice parameter (alat) = 7.8235 a.u. unit-cell volume = 689.1540 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.823466 celldm(2)= 1.000000 celldm(3)= 1.661836 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 1.661836 ) 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 0.601744 ) PseudoPot. # 1 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) I 7.00 126.90450 I( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 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 = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 320 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0031250 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0031250 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0031250 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0031250 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0031250 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0031250 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0031250 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0031250 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0031250 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0031250 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0031250 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0031250 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0031250 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0031250 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0031250 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0031250 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0031250 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0031250 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0031250 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0031250 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0031250 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031250 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0031250 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0031250 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0031250 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0031250 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0031250 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0031250 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0031250 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0031250 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0031250 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0031250 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0031250 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0031250 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0031250 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0031250 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0031250 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0031250 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0031250 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0031250 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0031250 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0031250 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0031250 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031250 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031250 k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0031250 k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0031250 k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0031250 k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0031250 k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0031250 k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0031250 k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0031250 k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0031250 k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0031250 k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0031250 k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0031250 k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0031250 k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0031250 k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0031250 k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0031250 k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0031250 k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0031250 k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0031250 k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0031250 k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0031250 k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0031250 k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0031250 k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0031250 k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0031250 k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0031250 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031250 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031250 k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0031250 k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0031250 k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0031250 k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0031250 k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0031250 k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0031250 k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0031250 k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0031250 k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0031250 k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0031250 k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0031250 k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0031250 k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0031250 k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0031250 k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0031250 k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0031250 k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0031250 k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0031250 k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0031250 k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0031250 k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0031250 k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0031250 k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0031250 k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0031250 k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0031250 k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0031250 k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0031250 k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0031250 k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0031250 k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0031250 k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0031250 k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0031250 k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0031250 k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0031250 k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0031250 k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0031250 k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0031250 k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0031250 k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0031250 k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0031250 k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0031250 k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0031250 k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0031250 k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0031250 k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0031250 k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0031250 k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0031250 k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0031250 k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0031250 k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0031250 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 126) = ( 0.0000000 0.0000000 0.0130814), wk = 0.0031250 k( 127) = ( 0.0000000 0.0000000 0.0261628), wk = 0.0031250 k( 128) = ( 0.0000000 0.0000000 0.0392442), wk = 0.0031250 k( 129) = ( 0.0000000 0.0000000 0.0523256), wk = 0.0031250 k( 130) = ( 0.0000000 0.0000000 0.0654070), wk = 0.0031250 k( 131) = ( 0.0000000 0.0000000 0.0784884), wk = 0.0031250 k( 132) = ( 0.0000000 0.0000000 0.0915698), wk = 0.0031250 k( 133) = ( 0.0000000 0.0000000 0.1046512), wk = 0.0031250 k( 134) = ( 0.0000000 0.0000000 0.1177326), wk = 0.0031250 k( 135) = ( 0.0000000 0.0000000 0.1308140), wk = 0.0031250 k( 136) = ( 0.0000000 0.0000000 0.1438953), wk = 0.0031250 k( 137) = ( 0.0000000 0.0000000 0.1569767), wk = 0.0031250 k( 138) = ( 0.0000000 0.0000000 0.1700581), wk = 0.0031250 k( 139) = ( 0.0000000 0.0000000 0.1831395), wk = 0.0031250 k( 140) = ( 0.0000000 0.0000000 0.1962209), wk = 0.0031250 k( 141) = ( 0.0000000 0.0000000 0.2093023), wk = 0.0031250 k( 142) = ( 0.0000000 0.0000000 0.2223837), wk = 0.0031250 k( 143) = ( 0.0000000 0.0000000 0.2354651), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.2485465), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.2616279), wk = 0.0031250 k( 146) = ( 0.0000000 0.0000000 0.2747093), wk = 0.0031250 k( 147) = ( 0.0000000 0.0000000 0.2877907), wk = 0.0031250 k( 148) = ( 0.0000000 0.0000000 0.3008721), wk = 0.0031250 k( 149) = ( 0.0000000 0.0000000 0.3008721), wk = 0.0031250 k( 150) = ( 0.0113636 0.0065608 0.3008721), wk = 0.0031250 k( 151) = ( 0.0227273 0.0131216 0.3008721), wk = 0.0031250 k( 152) = ( 0.0340909 0.0196824 0.3008721), wk = 0.0031250 k( 153) = ( 0.0454546 0.0262432 0.3008721), wk = 0.0031250 k( 154) = ( 0.0568182 0.0328040 0.3008721), wk = 0.0031250 k( 155) = ( 0.0681818 0.0393648 0.3008721), wk = 0.0031250 k( 156) = ( 0.0795455 0.0459256 0.3008721), wk = 0.0031250 k( 157) = ( 0.0909091 0.0524864 0.3008721), wk = 0.0031250 k( 158) = ( 0.1022727 0.0590472 0.3008721), wk = 0.0031250 k( 159) = ( 0.1136364 0.0656080 0.3008721), wk = 0.0031250 k( 160) = ( 0.1250000 0.0721688 0.3008721), wk = 0.0031250 k( 161) = ( 0.1363636 0.0787296 0.3008721), wk = 0.0031250 k( 162) = ( 0.1477273 0.0852904 0.3008721), wk = 0.0031250 k( 163) = ( 0.1590909 0.0918512 0.3008721), wk = 0.0031250 k( 164) = ( 0.1704546 0.0984120 0.3008721), wk = 0.0031250 k( 165) = ( 0.1818182 0.1049728 0.3008721), wk = 0.0031250 k( 166) = ( 0.1931818 0.1115336 0.3008721), wk = 0.0031250 k( 167) = ( 0.2045454 0.1180944 0.3008721), wk = 0.0031250 k( 168) = ( 0.2159091 0.1246552 0.3008721), wk = 0.0031250 k( 169) = ( 0.2272727 0.1312160 0.3008721), wk = 0.0031250 k( 170) = ( 0.2386364 0.1377768 0.3008721), wk = 0.0031250 k( 171) = ( 0.2500000 0.1443376 0.3008721), wk = 0.0031250 k( 172) = ( 0.2613636 0.1508984 0.3008721), wk = 0.0031250 k( 173) = ( 0.2727273 0.1574592 0.3008721), wk = 0.0031250 k( 174) = ( 0.2840909 0.1640200 0.3008721), wk = 0.0031250 k( 175) = ( 0.2954545 0.1705808 0.3008721), wk = 0.0031250 k( 176) = ( 0.3068182 0.1771416 0.3008721), wk = 0.0031250 k( 177) = ( 0.3181818 0.1837024 0.3008721), wk = 0.0031250 k( 178) = ( 0.3295455 0.1902632 0.3008721), wk = 0.0031250 k( 179) = ( 0.3409091 0.1968240 0.3008721), wk = 0.0031250 k( 180) = ( 0.3522727 0.2033848 0.3008721), wk = 0.0031250 k( 181) = ( 0.3636364 0.2099456 0.3008721), wk = 0.0031250 k( 182) = ( 0.3750000 0.2165064 0.3008721), wk = 0.0031250 k( 183) = ( 0.3863636 0.2230672 0.3008721), wk = 0.0031250 k( 184) = ( 0.3977273 0.2296279 0.3008721), wk = 0.0031250 k( 185) = ( 0.4090909 0.2361887 0.3008721), wk = 0.0031250 k( 186) = ( 0.4204545 0.2427495 0.3008721), wk = 0.0031250 k( 187) = ( 0.4318182 0.2493103 0.3008721), wk = 0.0031250 k( 188) = ( 0.4431818 0.2558711 0.3008721), wk = 0.0031250 k( 189) = ( 0.4545455 0.2624319 0.3008721), wk = 0.0031250 k( 190) = ( 0.4659091 0.2689927 0.3008721), wk = 0.0031250 k( 191) = ( 0.4772727 0.2755535 0.3008721), wk = 0.0031250 k( 192) = ( 0.4886364 0.2821143 0.3008721), wk = 0.0031250 k( 193) = ( 0.5000000 0.2886751 0.3008721), wk = 0.0031250 k( 194) = ( 0.5000000 0.2886751 0.3008721), wk = 0.0031250 k( 195) = ( 0.4935897 0.2997780 0.3008721), wk = 0.0031250 k( 196) = ( 0.4871795 0.3108809 0.3008721), wk = 0.0031250 k( 197) = ( 0.4807692 0.3219838 0.3008721), wk = 0.0031250 k( 198) = ( 0.4743590 0.3330867 0.3008721), wk = 0.0031250 k( 199) = ( 0.4679487 0.3441896 0.3008721), wk = 0.0031250 k( 200) = ( 0.4615385 0.3552925 0.3008721), wk = 0.0031250 k( 201) = ( 0.4551282 0.3663954 0.3008721), wk = 0.0031250 k( 202) = ( 0.4487179 0.3774983 0.3008721), wk = 0.0031250 k( 203) = ( 0.4423077 0.3886011 0.3008721), wk = 0.0031250 k( 204) = ( 0.4358974 0.3997040 0.3008721), wk = 0.0031250 k( 205) = ( 0.4294872 0.4108069 0.3008721), wk = 0.0031250 k( 206) = ( 0.4230769 0.4219098 0.3008721), wk = 0.0031250 k( 207) = ( 0.4166667 0.4330127 0.3008721), wk = 0.0031250 k( 208) = ( 0.4102564 0.4441156 0.3008721), wk = 0.0031250 k( 209) = ( 0.4038462 0.4552185 0.3008721), wk = 0.0031250 k( 210) = ( 0.3974359 0.4663214 0.3008721), wk = 0.0031250 k( 211) = ( 0.3910256 0.4774243 0.3008721), wk = 0.0031250 k( 212) = ( 0.3846154 0.4885271 0.3008721), wk = 0.0031250 k( 213) = ( 0.3782051 0.4996300 0.3008721), wk = 0.0031250 k( 214) = ( 0.3717949 0.5107329 0.3008721), wk = 0.0031250 k( 215) = ( 0.3653846 0.5218358 0.3008721), wk = 0.0031250 k( 216) = ( 0.3589744 0.5329387 0.3008721), wk = 0.0031250 k( 217) = ( 0.3525641 0.5440416 0.3008721), wk = 0.0031250 k( 218) = ( 0.3461538 0.5551445 0.3008721), wk = 0.0031250 k( 219) = ( 0.3397436 0.5662474 0.3008721), wk = 0.0031250 k( 220) = ( 0.3333333 0.5773503 0.3008721), wk = 0.0031250 k( 221) = ( 0.3333333 0.5773503 0.3008721), wk = 0.0031250 k( 222) = ( 0.3267974 0.5660297 0.3008721), wk = 0.0031250 k( 223) = ( 0.3202614 0.5547091 0.3008721), wk = 0.0031250 k( 224) = ( 0.3137255 0.5433885 0.3008721), wk = 0.0031250 k( 225) = ( 0.3071895 0.5320679 0.3008721), wk = 0.0031250 k( 226) = ( 0.3006536 0.5207473 0.3008721), wk = 0.0031250 k( 227) = ( 0.2941177 0.5094267 0.3008721), wk = 0.0031250 k( 228) = ( 0.2875817 0.4981061 0.3008721), wk = 0.0031250 k( 229) = ( 0.2810457 0.4867855 0.3008721), wk = 0.0031250 k( 230) = ( 0.2745098 0.4754649 0.3008721), wk = 0.0031250 k( 231) = ( 0.2679739 0.4641443 0.3008721), wk = 0.0031250 k( 232) = ( 0.2614379 0.4528237 0.3008721), wk = 0.0031250 k( 233) = ( 0.2549020 0.4415031 0.3008721), wk = 0.0031250 k( 234) = ( 0.2483660 0.4301825 0.3008721), wk = 0.0031250 k( 235) = ( 0.2418301 0.4188620 0.3008721), wk = 0.0031250 k( 236) = ( 0.2352941 0.4075414 0.3008721), wk = 0.0031250 k( 237) = ( 0.2287582 0.3962208 0.3008721), wk = 0.0031250 k( 238) = ( 0.2222222 0.3849002 0.3008721), wk = 0.0031250 k( 239) = ( 0.2156863 0.3735796 0.3008721), wk = 0.0031250 k( 240) = ( 0.2091503 0.3622590 0.3008721), wk = 0.0031250 k( 241) = ( 0.2026144 0.3509384 0.3008721), wk = 0.0031250 k( 242) = ( 0.1960784 0.3396178 0.3008721), wk = 0.0031250 k( 243) = ( 0.1895425 0.3282972 0.3008721), wk = 0.0031250 k( 244) = ( 0.1830065 0.3169766 0.3008721), wk = 0.0031250 k( 245) = ( 0.1764706 0.3056560 0.3008721), wk = 0.0031250 k( 246) = ( 0.1699346 0.2943354 0.3008721), wk = 0.0031250 k( 247) = ( 0.1633987 0.2830148 0.3008721), wk = 0.0031250 k( 248) = ( 0.1568627 0.2716943 0.3008721), wk = 0.0031250 k( 249) = ( 0.1503268 0.2603737 0.3008721), wk = 0.0031250 k( 250) = ( 0.1437908 0.2490531 0.3008721), wk = 0.0031250 k( 251) = ( 0.1372549 0.2377325 0.3008721), wk = 0.0031250 k( 252) = ( 0.1307190 0.2264119 0.3008721), wk = 0.0031250 k( 253) = ( 0.1241830 0.2150913 0.3008721), wk = 0.0031250 k( 254) = ( 0.1176471 0.2037707 0.3008721), wk = 0.0031250 k( 255) = ( 0.1111111 0.1924501 0.3008721), wk = 0.0031250 k( 256) = ( 0.1045752 0.1811295 0.3008721), wk = 0.0031250 k( 257) = ( 0.0980392 0.1698089 0.3008721), wk = 0.0031250 k( 258) = ( 0.0915033 0.1584883 0.3008721), wk = 0.0031250 k( 259) = ( 0.0849673 0.1471677 0.3008721), wk = 0.0031250 k( 260) = ( 0.0784314 0.1358471 0.3008721), wk = 0.0031250 k( 261) = ( 0.0718954 0.1245265 0.3008721), wk = 0.0031250 k( 262) = ( 0.0653595 0.1132059 0.3008721), wk = 0.0031250 k( 263) = ( 0.0588235 0.1018853 0.3008721), wk = 0.0031250 k( 264) = ( 0.0522876 0.0905647 0.3008721), wk = 0.0031250 k( 265) = ( 0.0457516 0.0792441 0.3008721), wk = 0.0031250 k( 266) = ( 0.0392157 0.0679236 0.3008721), wk = 0.0031250 k( 267) = ( 0.0326797 0.0566030 0.3008721), wk = 0.0031250 k( 268) = ( 0.0261438 0.0452824 0.3008721), wk = 0.0031250 k( 269) = ( 0.0196078 0.0339618 0.3008721), wk = 0.0031250 k( 270) = ( 0.0130719 0.0226412 0.3008721), wk = 0.0031250 k( 271) = ( 0.0065359 0.0113206 0.3008721), wk = 0.0031250 k( 272) = ( 0.0000000 0.0000000 0.3008721), wk = 0.0031250 k( 273) = ( 0.5000000 0.2886751 0.3008721), wk = 0.0031250 k( 274) = ( 0.5000000 0.2886751 0.2877907), wk = 0.0031250 k( 275) = ( 0.5000000 0.2886751 0.2747093), wk = 0.0031250 k( 276) = ( 0.5000000 0.2886751 0.2616279), wk = 0.0031250 k( 277) = ( 0.5000000 0.2886751 0.2485465), wk = 0.0031250 k( 278) = ( 0.5000000 0.2886751 0.2354651), wk = 0.0031250 k( 279) = ( 0.5000000 0.2886751 0.2223837), wk = 0.0031250 k( 280) = ( 0.5000000 0.2886751 0.2093023), wk = 0.0031250 k( 281) = ( 0.5000000 0.2886751 0.1962209), wk = 0.0031250 k( 282) = ( 0.5000000 0.2886751 0.1831395), wk = 0.0031250 k( 283) = ( 0.5000000 0.2886751 0.1700581), wk = 0.0031250 k( 284) = ( 0.5000000 0.2886751 0.1569767), wk = 0.0031250 k( 285) = ( 0.5000000 0.2886751 0.1438953), wk = 0.0031250 k( 286) = ( 0.5000000 0.2886751 0.1308140), wk = 0.0031250 k( 287) = ( 0.5000000 0.2886751 0.1177326), wk = 0.0031250 k( 288) = ( 0.5000000 0.2886751 0.1046512), wk = 0.0031250 k( 289) = ( 0.5000000 0.2886751 0.0915698), wk = 0.0031250 k( 290) = ( 0.5000000 0.2886751 0.0784884), wk = 0.0031250 k( 291) = ( 0.5000000 0.2886751 0.0654070), wk = 0.0031250 k( 292) = ( 0.5000000 0.2886751 0.0523256), wk = 0.0031250 k( 293) = ( 0.5000000 0.2886751 0.0392442), wk = 0.0031250 k( 294) = ( 0.5000000 0.2886751 0.0261628), wk = 0.0031250 k( 295) = ( 0.5000000 0.2886751 0.0130814), wk = 0.0031250 k( 296) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031250 k( 297) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031250 k( 298) = ( 0.3333333 0.5773503 0.0130814), wk = 0.0031250 k( 299) = ( 0.3333333 0.5773503 0.0261628), wk = 0.0031250 k( 300) = ( 0.3333333 0.5773503 0.0392442), wk = 0.0031250 k( 301) = ( 0.3333333 0.5773503 0.0523256), wk = 0.0031250 k( 302) = ( 0.3333333 0.5773503 0.0654070), wk = 0.0031250 k( 303) = ( 0.3333333 0.5773503 0.0784884), wk = 0.0031250 k( 304) = ( 0.3333333 0.5773503 0.0915698), wk = 0.0031250 k( 305) = ( 0.3333333 0.5773503 0.1046512), wk = 0.0031250 k( 306) = ( 0.3333333 0.5773503 0.1177326), wk = 0.0031250 k( 307) = ( 0.3333333 0.5773503 0.1308140), wk = 0.0031250 k( 308) = ( 0.3333333 0.5773503 0.1438953), wk = 0.0031250 k( 309) = ( 0.3333333 0.5773503 0.1569767), wk = 0.0031250 k( 310) = ( 0.3333333 0.5773503 0.1700581), wk = 0.0031250 k( 311) = ( 0.3333333 0.5773503 0.1831395), wk = 0.0031250 k( 312) = ( 0.3333333 0.5773503 0.1962209), wk = 0.0031250 k( 313) = ( 0.3333333 0.5773503 0.2093023), wk = 0.0031250 k( 314) = ( 0.3333333 0.5773503 0.2223837), wk = 0.0031250 k( 315) = ( 0.3333333 0.5773503 0.2354651), wk = 0.0031250 k( 316) = ( 0.3333333 0.5773503 0.2485465), wk = 0.0031250 k( 317) = ( 0.3333333 0.5773503 0.2616279), wk = 0.0031250 k( 318) = ( 0.3333333 0.5773503 0.2747093), wk = 0.0031250 k( 319) = ( 0.3333333 0.5773503 0.2877907), wk = 0.0031250 k( 320) = ( 0.3333333 0.5773503 0.3008721), wk = 0.0031250 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0031250 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0031250 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0031250 k( 5) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0031250 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0031250 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0031250 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0031250 k( 9) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0031250 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0031250 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0031250 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0031250 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0031250 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0031250 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0031250 k( 16) = ( 0.1704546 0.0000000 -0.0000000), wk = 0.0031250 k( 17) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0031250 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0031250 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0031250 k( 20) = ( 0.2159091 -0.0000000 0.0000000), wk = 0.0031250 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0031250 k( 22) = ( 0.2386364 -0.0000000 0.0000000), wk = 0.0031250 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0031250 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0031250 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0031250 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0031250 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0031250 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0031250 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0031250 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0031250 k( 31) = ( 0.3409091 -0.0000000 0.0000000), wk = 0.0031250 k( 32) = ( 0.3522727 -0.0000000 0.0000000), wk = 0.0031250 k( 33) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0031250 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0031250 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0031250 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0031250 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0031250 k( 38) = ( 0.4204545 -0.0000000 0.0000000), wk = 0.0031250 k( 39) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0031250 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0031250 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0031250 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0031250 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0031250 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0031250 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031250 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031250 k( 47) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0031250 k( 48) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0031250 k( 49) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0031250 k( 50) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0031250 k( 51) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0031250 k( 52) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0031250 k( 53) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0031250 k( 54) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0031250 k( 55) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0031250 k( 56) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0031250 k( 57) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0031250 k( 58) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0031250 k( 59) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0031250 k( 60) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0031250 k( 61) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0031250 k( 62) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0031250 k( 63) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0031250 k( 64) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0031250 k( 65) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0031250 k( 66) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0031250 k( 67) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0031250 k( 68) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0031250 k( 69) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0031250 k( 70) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0031250 k( 71) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0031250 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031250 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031250 k( 74) = ( 0.3267974 0.3267974 -0.0000000), wk = 0.0031250 k( 75) = ( 0.3202614 0.3202614 0.0000000), wk = 0.0031250 k( 76) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0031250 k( 77) = ( 0.3071895 0.3071895 0.0000000), wk = 0.0031250 k( 78) = ( 0.3006536 0.3006536 0.0000000), wk = 0.0031250 k( 79) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0031250 k( 80) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0031250 k( 81) = ( 0.2810457 0.2810457 -0.0000000), wk = 0.0031250 k( 82) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0031250 k( 83) = ( 0.2679739 0.2679739 -0.0000000), wk = 0.0031250 k( 84) = ( 0.2614379 0.2614379 0.0000000), wk = 0.0031250 k( 85) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0031250 k( 86) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0031250 k( 87) = ( 0.2418301 0.2418301 -0.0000000), wk = 0.0031250 k( 88) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0031250 k( 89) = ( 0.2287582 0.2287582 0.0000000), wk = 0.0031250 k( 90) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0031250 k( 91) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0031250 k( 92) = ( 0.2091503 0.2091503 0.0000000), wk = 0.0031250 k( 93) = ( 0.2026144 0.2026144 0.0000000), wk = 0.0031250 k( 94) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0031250 k( 95) = ( 0.1895425 0.1895425 0.0000000), wk = 0.0031250 k( 96) = ( 0.1830065 0.1830065 -0.0000000), wk = 0.0031250 k( 97) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0031250 k( 98) = ( 0.1699346 0.1699346 -0.0000000), wk = 0.0031250 k( 99) = ( 0.1633987 0.1633987 -0.0000000), wk = 0.0031250 k( 100) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0031250 k( 101) = ( 0.1503268 0.1503268 -0.0000000), wk = 0.0031250 k( 102) = ( 0.1437908 0.1437908 0.0000000), wk = 0.0031250 k( 103) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0031250 k( 104) = ( 0.1307190 0.1307190 -0.0000000), wk = 0.0031250 k( 105) = ( 0.1241830 0.1241830 0.0000000), wk = 0.0031250 k( 106) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0031250 k( 107) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0031250 k( 108) = ( 0.1045752 0.1045752 -0.0000000), wk = 0.0031250 k( 109) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0031250 k( 110) = ( 0.0915033 0.0915033 -0.0000000), wk = 0.0031250 k( 111) = ( 0.0849673 0.0849673 -0.0000000), wk = 0.0031250 k( 112) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0031250 k( 113) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0031250 k( 114) = ( 0.0653595 0.0653595 0.0000000), wk = 0.0031250 k( 115) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0031250 k( 116) = ( 0.0522876 0.0522876 -0.0000000), wk = 0.0031250 k( 117) = ( 0.0457516 0.0457516 -0.0000000), wk = 0.0031250 k( 118) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0031250 k( 119) = ( 0.0326797 0.0326797 0.0000000), wk = 0.0031250 k( 120) = ( 0.0261438 0.0261438 -0.0000000), wk = 0.0031250 k( 121) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0031250 k( 122) = ( 0.0130719 0.0130719 0.0000000), wk = 0.0031250 k( 123) = ( 0.0065359 0.0065359 0.0000000), wk = 0.0031250 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 126) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0031250 k( 127) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0031250 k( 128) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0031250 k( 129) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0031250 k( 130) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0031250 k( 131) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0031250 k( 132) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0031250 k( 133) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0031250 k( 134) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0031250 k( 135) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0031250 k( 136) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0031250 k( 137) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0031250 k( 138) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0031250 k( 139) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0031250 k( 140) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0031250 k( 141) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0031250 k( 142) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0031250 k( 143) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0031250 k( 146) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0031250 k( 147) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0031250 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 150) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0031250 k( 151) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0031250 k( 152) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0031250 k( 153) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0031250 k( 154) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0031250 k( 155) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0031250 k( 156) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0031250 k( 157) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0031250 k( 158) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0031250 k( 159) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0031250 k( 160) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0031250 k( 161) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0031250 k( 162) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0031250 k( 163) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0031250 k( 164) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0031250 k( 165) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0031250 k( 166) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0031250 k( 167) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0031250 k( 168) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0031250 k( 169) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0031250 k( 170) = ( 0.2386364 -0.0000000 0.5000000), wk = 0.0031250 k( 171) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0031250 k( 172) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0031250 k( 173) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0031250 k( 174) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0031250 k( 175) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0031250 k( 176) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0031250 k( 177) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0031250 k( 178) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0031250 k( 179) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0031250 k( 180) = ( 0.3522727 -0.0000000 0.5000000), wk = 0.0031250 k( 181) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0031250 k( 182) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0031250 k( 183) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0031250 k( 184) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0031250 k( 185) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0031250 k( 186) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0031250 k( 187) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0031250 k( 188) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0031250 k( 189) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0031250 k( 190) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0031250 k( 191) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0031250 k( 192) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0031250 k( 193) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 194) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 195) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0031250 k( 196) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0031250 k( 197) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0031250 k( 198) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0031250 k( 199) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0031250 k( 200) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0031250 k( 201) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0031250 k( 202) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0031250 k( 203) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0031250 k( 204) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0031250 k( 205) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0031250 k( 206) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0031250 k( 207) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0031250 k( 208) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0031250 k( 209) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0031250 k( 210) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0031250 k( 211) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0031250 k( 212) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0031250 k( 213) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0031250 k( 214) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0031250 k( 215) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0031250 k( 216) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0031250 k( 217) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0031250 k( 218) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0031250 k( 219) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0031250 k( 220) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031250 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031250 k( 222) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0031250 k( 223) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0031250 k( 224) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0031250 k( 225) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0031250 k( 226) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0031250 k( 227) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0031250 k( 228) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0031250 k( 229) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0031250 k( 230) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0031250 k( 231) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0031250 k( 232) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0031250 k( 233) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0031250 k( 234) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0031250 k( 235) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0031250 k( 236) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0031250 k( 237) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0031250 k( 238) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0031250 k( 239) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0031250 k( 240) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0031250 k( 241) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0031250 k( 242) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0031250 k( 243) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0031250 k( 244) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0031250 k( 245) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0031250 k( 246) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0031250 k( 247) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0031250 k( 248) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0031250 k( 249) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0031250 k( 250) = ( 0.1437908 0.1437908 0.5000000), wk = 0.0031250 k( 251) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0031250 k( 252) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0031250 k( 253) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0031250 k( 254) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0031250 k( 255) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0031250 k( 256) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0031250 k( 257) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0031250 k( 258) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0031250 k( 259) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0031250 k( 260) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0031250 k( 261) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0031250 k( 262) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0031250 k( 263) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0031250 k( 264) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0031250 k( 265) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0031250 k( 266) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0031250 k( 267) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0031250 k( 268) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0031250 k( 269) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0031250 k( 270) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0031250 k( 271) = ( 0.0065359 0.0065359 0.5000000), wk = 0.0031250 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 273) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 274) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0031250 k( 275) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0031250 k( 276) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0031250 k( 277) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0031250 k( 278) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0031250 k( 279) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0031250 k( 280) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0031250 k( 281) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0031250 k( 282) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0031250 k( 283) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0031250 k( 284) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0031250 k( 285) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0031250 k( 286) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0031250 k( 287) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0031250 k( 288) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0031250 k( 289) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0031250 k( 290) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0031250 k( 291) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0031250 k( 292) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0031250 k( 293) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0031250 k( 294) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0031250 k( 295) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0031250 k( 296) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031250 k( 297) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031250 k( 298) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0031250 k( 299) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0031250 k( 300) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0031250 k( 301) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0031250 k( 302) = ( 0.3333333 0.3333333 0.1086956), wk = 0.0031250 k( 303) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0031250 k( 304) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0031250 k( 305) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0031250 k( 306) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0031250 k( 307) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0031250 k( 308) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0031250 k( 309) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0031250 k( 310) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0031250 k( 311) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0031250 k( 312) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0031250 k( 313) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0031250 k( 314) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0031250 k( 315) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0031250 k( 316) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0031250 k( 317) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0031250 k( 318) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0031250 k( 319) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0031250 k( 320) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031250 Dense grid: 88275 G-vectors FFT dimensions: ( 50, 50, 81) Smooth grid: 42165 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 300, 32) NL pseudopotentials 0.19 Mb ( 150, 82) Each V/rho on FFT grid 0.11 Mb ( 7500) Each G-vector array 0.02 Mb ( 2451) G-vector shells 0.01 Mb ( 1228) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 300, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.08 Mb ( 82, 2, 32) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./MgI2.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.3 secs Computing kpt #: 8 total cpu time spent up to now is 3.5 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.4 secs Computing kpt #: 13 total cpu time spent up to now is 4.6 secs Computing kpt #: 14 total cpu time spent up to now is 4.9 secs Computing kpt #: 15 total cpu time spent up to now is 5.2 secs Computing kpt #: 16 total cpu time spent up to now is 5.5 secs Computing kpt #: 17 total cpu time spent up to now is 5.8 secs Computing kpt #: 18 total cpu time spent up to now is 6.1 secs Computing kpt #: 19 total cpu time spent up to now is 6.4 secs Computing kpt #: 20 total cpu time spent up to now is 6.6 secs Computing kpt #: 21 total cpu time spent up to now is 6.9 secs Computing kpt #: 22 total cpu time spent up to now is 7.2 secs Computing kpt #: 23 total cpu time spent up to now is 7.5 secs Computing kpt #: 24 total cpu time spent up to now is 7.7 secs Computing kpt #: 25 total cpu time spent up to now is 8.0 secs Computing kpt #: 26 total cpu time spent up to now is 8.3 secs Computing kpt #: 27 total cpu time spent up to now is 8.5 secs Computing kpt #: 28 total cpu time spent up to now is 8.7 secs Computing kpt #: 29 total cpu time spent up to now is 8.9 secs Computing kpt #: 30 total cpu time spent up to now is 9.2 secs Computing kpt #: 31 total cpu time spent up to now is 9.4 secs Computing kpt #: 32 total cpu time spent up to now is 9.6 secs Computing kpt #: 33 total cpu time spent up to now is 9.8 secs Computing kpt #: 34 total cpu time spent up to now is 10.0 secs Computing kpt #: 35 total cpu time spent up to now is 10.2 secs Computing kpt #: 36 total cpu time spent up to now is 10.4 secs Computing kpt #: 37 total cpu time spent up to now is 10.6 secs Computing kpt #: 38 total cpu time spent up to now is 10.8 secs Computing kpt #: 39 total cpu time spent up to now is 11.0 secs Computing kpt #: 40 total cpu time spent up to now is 11.2 secs Computing kpt #: 41 total cpu time spent up to now is 11.5 secs Computing kpt #: 42 total cpu time spent up to now is 11.7 secs Computing kpt #: 43 total cpu time spent up to now is 11.9 secs Computing kpt #: 44 total cpu time spent up to now is 12.1 secs Computing kpt #: 45 total cpu time spent up to now is 12.3 secs Computing kpt #: 46 total cpu time spent up to now is 12.5 secs Computing kpt #: 47 total cpu time spent up to now is 12.7 secs Computing kpt #: 48 total cpu time spent up to now is 12.9 secs Computing kpt #: 49 total cpu time spent up to now is 13.1 secs Computing kpt #: 50 total cpu time spent up to now is 13.3 secs Computing kpt #: 51 total cpu time spent up to now is 13.5 secs Computing kpt #: 52 total cpu time spent up to now is 13.7 secs Computing kpt #: 53 total cpu time spent up to now is 13.9 secs Computing kpt #: 54 total cpu time spent up to now is 14.1 secs Computing kpt #: 55 total cpu time spent up to now is 14.4 secs Computing kpt #: 56 total cpu time spent up to now is 14.7 secs Computing kpt #: 57 total cpu time spent up to now is 14.9 secs Computing kpt #: 58 total cpu time spent up to now is 15.1 secs Computing kpt #: 59 total cpu time spent up to now is 15.4 secs Computing kpt #: 60 total cpu time spent up to now is 15.6 secs Computing kpt #: 61 total cpu time spent up to now is 15.8 secs Computing kpt #: 62 total cpu time spent up to now is 16.0 secs Computing kpt #: 63 total cpu time spent up to now is 16.2 secs Computing kpt #: 64 total cpu time spent up to now is 16.5 secs Computing kpt #: 65 total cpu time spent up to now is 16.8 secs Computing kpt #: 66 total cpu time spent up to now is 17.0 secs Computing kpt #: 67 total cpu time spent up to now is 17.3 secs Computing kpt #: 68 total cpu time spent up to now is 17.6 secs Computing kpt #: 69 total cpu time spent up to now is 17.8 secs Computing kpt #: 70 total cpu time spent up to now is 18.1 secs Computing kpt #: 71 total cpu time spent up to now is 18.4 secs Computing kpt #: 72 total cpu time spent up to now is 18.6 secs Computing kpt #: 73 total cpu time spent up to now is 18.8 secs Computing kpt #: 74 total cpu time spent up to now is 19.1 secs Computing kpt #: 75 total cpu time spent up to now is 19.4 secs Computing kpt #: 76 total cpu time spent up to now is 19.6 secs Computing kpt #: 77 total cpu time spent up to now is 19.9 secs Computing kpt #: 78 total cpu time spent up to now is 20.2 secs Computing kpt #: 79 total cpu time spent up to now is 20.5 secs Computing kpt #: 80 total cpu time spent up to now is 20.7 secs Computing kpt #: 81 total cpu time spent up to now is 21.0 secs Computing kpt #: 82 total cpu time spent up to now is 21.3 secs Computing kpt #: 83 total cpu time spent up to now is 21.6 secs Computing kpt #: 84 total cpu time spent up to now is 21.9 secs Computing kpt #: 85 total cpu time spent up to now is 22.1 secs Computing kpt #: 86 total cpu time spent up to now is 22.4 secs Computing kpt #: 87 total cpu time spent up to now is 22.7 secs Computing kpt #: 88 total cpu time spent up to now is 23.0 secs Computing kpt #: 89 total cpu time spent up to now is 23.3 secs Computing kpt #: 90 total cpu time spent up to now is 23.5 secs Computing kpt #: 91 total cpu time spent up to now is 23.8 secs Computing kpt #: 92 total cpu time spent up to now is 24.1 secs Computing kpt #: 93 total cpu time spent up to now is 24.4 secs Computing kpt #: 94 total cpu time spent up to now is 24.6 secs Computing kpt #: 95 total cpu time spent up to now is 24.9 secs Computing kpt #: 96 total cpu time spent up to now is 25.2 secs Computing kpt #: 97 total cpu time spent up to now is 25.5 secs Computing kpt #: 98 total cpu time spent up to now is 25.7 secs Computing kpt #: 99 total cpu time spent up to now is 26.0 secs Computing kpt #: 100 total cpu time spent up to now is 26.3 secs Computing kpt #: 101 total cpu time spent up to now is 26.5 secs Computing kpt #: 102 total cpu time spent up to now is 26.8 secs Computing kpt #: 103 total cpu time spent up to now is 27.0 secs Computing kpt #: 104 total cpu time spent up to now is 27.2 secs Computing kpt #: 105 total cpu time spent up to now is 27.5 secs Computing kpt #: 106 total cpu time spent up to now is 27.8 secs Computing kpt #: 107 total cpu time spent up to now is 28.0 secs Computing kpt #: 108 total cpu time spent up to now is 28.3 secs Computing kpt #: 109 total cpu time spent up to now is 28.5 secs Computing kpt #: 110 total cpu time spent up to now is 28.8 secs Computing kpt #: 111 total cpu time spent up to now is 29.0 secs Computing kpt #: 112 total cpu time spent up to now is 29.3 secs Computing kpt #: 113 total cpu time spent up to now is 29.5 secs Computing kpt #: 114 total cpu time spent up to now is 29.7 secs Computing kpt #: 115 total cpu time spent up to now is 29.9 secs Computing kpt #: 116 total cpu time spent up to now is 30.1 secs Computing kpt #: 117 total cpu time spent up to now is 30.4 secs Computing kpt #: 118 total cpu time spent up to now is 30.6 secs Computing kpt #: 119 total cpu time spent up to now is 30.8 secs Computing kpt #: 120 total cpu time spent up to now is 31.0 secs Computing kpt #: 121 total cpu time spent up to now is 31.3 secs Computing kpt #: 122 total cpu time spent up to now is 31.5 secs Computing kpt #: 123 total cpu time spent up to now is 31.8 secs Computing kpt #: 124 total cpu time spent up to now is 32.0 secs Computing kpt #: 125 total cpu time spent up to now is 32.2 secs Computing kpt #: 126 total cpu time spent up to now is 32.5 secs Computing kpt #: 127 total cpu time spent up to now is 32.7 secs Computing kpt #: 128 total cpu time spent up to now is 32.9 secs Computing kpt #: 129 total cpu time spent up to now is 33.2 secs Computing kpt #: 130 total cpu time spent up to now is 33.4 secs Computing kpt #: 131 total cpu time spent up to now is 33.6 secs Computing kpt #: 132 total cpu time spent up to now is 33.8 secs Computing kpt #: 133 total cpu time spent up to now is 34.1 secs Computing kpt #: 134 total cpu time spent up to now is 34.3 secs Computing kpt #: 135 total cpu time spent up to now is 34.5 secs Computing kpt #: 136 total cpu time spent up to now is 34.7 secs Computing kpt #: 137 total cpu time spent up to now is 34.9 secs Computing kpt #: 138 total cpu time spent up to now is 35.3 secs Computing kpt #: 139 total cpu time spent up to now is 35.5 secs Computing kpt #: 140 total cpu time spent up to now is 35.7 secs Computing kpt #: 141 total cpu time spent up to now is 35.9 secs Computing kpt #: 142 total cpu time spent up to now is 36.1 secs Computing kpt #: 143 total cpu time spent up to now is 36.4 secs Computing kpt #: 144 total cpu time spent up to now is 36.6 secs Computing kpt #: 145 total cpu time spent up to now is 36.8 secs Computing kpt #: 146 total cpu time spent up to now is 37.0 secs Computing kpt #: 147 total cpu time spent up to now is 37.2 secs Computing kpt #: 148 total cpu time spent up to now is 37.4 secs Computing kpt #: 149 total cpu time spent up to now is 37.6 secs Computing kpt #: 150 total cpu time spent up to now is 37.8 secs Computing kpt #: 151 total cpu time spent up to now is 38.0 secs Computing kpt #: 152 total cpu time spent up to now is 38.2 secs Computing kpt #: 153 total cpu time spent up to now is 38.5 secs Computing kpt #: 154 total cpu time spent up to now is 38.7 secs Computing kpt #: 155 total cpu time spent up to now is 38.9 secs Computing kpt #: 156 total cpu time spent up to now is 39.1 secs Computing kpt #: 157 total cpu time spent up to now is 39.3 secs Computing kpt #: 158 total cpu time spent up to now is 39.5 secs Computing kpt #: 159 total cpu time spent up to now is 39.8 secs Computing kpt #: 160 total cpu time spent up to now is 40.0 secs Computing kpt #: 161 total cpu time spent up to now is 40.3 secs Computing kpt #: 162 total cpu time spent up to now is 40.6 secs Computing kpt #: 163 total cpu time spent up to now is 40.8 secs Computing kpt #: 164 total cpu time spent up to now is 41.1 secs Computing kpt #: 165 total cpu time spent up to now is 41.4 secs Computing kpt #: 166 total cpu time spent up to now is 41.7 secs Computing kpt #: 167 total cpu time spent up to now is 42.0 secs Computing kpt #: 168 total cpu time spent up to now is 42.3 secs Computing kpt #: 169 total cpu time spent up to now is 42.5 secs Computing kpt #: 170 total cpu time spent up to now is 42.8 secs Computing kpt #: 171 total cpu time spent up to now is 43.1 secs Computing kpt #: 172 total cpu time spent up to now is 43.3 secs Computing kpt #: 173 total cpu time spent up to now is 43.6 secs Computing kpt #: 174 total cpu time spent up to now is 43.8 secs Computing kpt #: 175 total cpu time spent up to now is 44.1 secs Computing kpt #: 176 total cpu time spent up to now is 44.3 secs Computing kpt #: 177 total cpu time spent up to now is 44.5 secs Computing kpt #: 178 total cpu time spent up to now is 44.7 secs Computing kpt #: 179 total cpu time spent up to now is 44.9 secs Computing kpt #: 180 total cpu time spent up to now is 45.1 secs Computing kpt #: 181 total cpu time spent up to now is 45.3 secs Computing kpt #: 182 total cpu time spent up to now is 45.5 secs Computing kpt #: 183 total cpu time spent up to now is 45.7 secs Computing kpt #: 184 total cpu time spent up to now is 45.9 secs Computing kpt #: 185 total cpu time spent up to now is 46.1 secs Computing kpt #: 186 total cpu time spent up to now is 46.3 secs Computing kpt #: 187 total cpu time spent up to now is 46.5 secs Computing kpt #: 188 total cpu time spent up to now is 46.7 secs Computing kpt #: 189 total cpu time spent up to now is 46.9 secs Computing kpt #: 190 total cpu time spent up to now is 47.1 secs Computing kpt #: 191 total cpu time spent up to now is 47.3 secs Computing kpt #: 192 total cpu time spent up to now is 47.5 secs Computing kpt #: 193 total cpu time spent up to now is 47.7 secs Computing kpt #: 194 total cpu time spent up to now is 47.9 secs Computing kpt #: 195 total cpu time spent up to now is 48.2 secs Computing kpt #: 196 total cpu time spent up to now is 48.4 secs Computing kpt #: 197 total cpu time spent up to now is 48.6 secs Computing kpt #: 198 total cpu time spent up to now is 48.7 secs Computing kpt #: 199 total cpu time spent up to now is 48.9 secs Computing kpt #: 200 total cpu time spent up to now is 49.1 secs Computing kpt #: 201 total cpu time spent up to now is 49.3 secs Computing kpt #: 202 total cpu time spent up to now is 49.5 secs Computing kpt #: 203 total cpu time spent up to now is 49.7 secs Computing kpt #: 204 total cpu time spent up to now is 49.9 secs Computing kpt #: 205 total cpu time spent up to now is 50.1 secs Computing kpt #: 206 total cpu time spent up to now is 50.3 secs Computing kpt #: 207 total cpu time spent up to now is 50.5 secs Computing kpt #: 208 total cpu time spent up to now is 50.7 secs Computing kpt #: 209 total cpu time spent up to now is 51.0 secs Computing kpt #: 210 total cpu time spent up to now is 51.2 secs Computing kpt #: 211 total cpu time spent up to now is 51.5 secs Computing kpt #: 212 total cpu time spent up to now is 51.8 secs Computing kpt #: 213 total cpu time spent up to now is 52.0 secs Computing kpt #: 214 total cpu time spent up to now is 52.3 secs Computing kpt #: 215 total cpu time spent up to now is 52.5 secs Computing kpt #: 216 total cpu time spent up to now is 52.7 secs Computing kpt #: 217 total cpu time spent up to now is 52.9 secs Computing kpt #: 218 total cpu time spent up to now is 53.1 secs Computing kpt #: 219 total cpu time spent up to now is 53.3 secs Computing kpt #: 220 total cpu time spent up to now is 53.5 secs Computing kpt #: 221 total cpu time spent up to now is 53.7 secs Computing kpt #: 222 total cpu time spent up to now is 53.9 secs Computing kpt #: 223 total cpu time spent up to now is 54.1 secs Computing kpt #: 224 total cpu time spent up to now is 54.3 secs Computing kpt #: 225 total cpu time spent up to now is 54.5 secs Computing kpt #: 226 total cpu time spent up to now is 54.7 secs Computing kpt #: 227 total cpu time spent up to now is 54.9 secs Computing kpt #: 228 total cpu time spent up to now is 55.1 secs Computing kpt #: 229 total cpu time spent up to now is 55.4 secs Computing kpt #: 230 total cpu time spent up to now is 55.7 secs Computing kpt #: 231 total cpu time spent up to now is 56.0 secs Computing kpt #: 232 total cpu time spent up to now is 56.3 secs Computing kpt #: 233 total cpu time spent up to now is 56.5 secs Computing kpt #: 234 total cpu time spent up to now is 56.8 secs Computing kpt #: 235 total cpu time spent up to now is 57.0 secs Computing kpt #: 236 total cpu time spent up to now is 57.3 secs Computing kpt #: 237 total cpu time spent up to now is 57.5 secs Computing kpt #: 238 total cpu time spent up to now is 57.8 secs Computing kpt #: 239 total cpu time spent up to now is 58.1 secs Computing kpt #: 240 total cpu time spent up to now is 58.3 secs Computing kpt #: 241 total cpu time spent up to now is 58.6 secs Computing kpt #: 242 total cpu time spent up to now is 58.8 secs Computing kpt #: 243 total cpu time spent up to now is 59.1 secs Computing kpt #: 244 total cpu time spent up to now is 59.4 secs Computing kpt #: 245 total cpu time spent up to now is 59.6 secs Computing kpt #: 246 total cpu time spent up to now is 59.9 secs Computing kpt #: 247 total cpu time spent up to now is 60.1 secs Computing kpt #: 248 total cpu time spent up to now is 60.4 secs Computing kpt #: 249 total cpu time spent up to now is 60.6 secs Computing kpt #: 250 total cpu time spent up to now is 60.9 secs Computing kpt #: 251 total cpu time spent up to now is 61.1 secs Computing kpt #: 252 total cpu time spent up to now is 61.3 secs Computing kpt #: 253 total cpu time spent up to now is 61.5 secs Computing kpt #: 254 total cpu time spent up to now is 61.8 secs Computing kpt #: 255 total cpu time spent up to now is 62.0 secs Computing kpt #: 256 total cpu time spent up to now is 62.2 secs Computing kpt #: 257 total cpu time spent up to now is 62.4 secs Computing kpt #: 258 total cpu time spent up to now is 62.7 secs Computing kpt #: 259 total cpu time spent up to now is 62.9 secs Computing kpt #: 260 total cpu time spent up to now is 63.1 secs Computing kpt #: 261 total cpu time spent up to now is 63.3 secs Computing kpt #: 262 total cpu time spent up to now is 63.5 secs Computing kpt #: 263 total cpu time spent up to now is 63.8 secs Computing kpt #: 264 total cpu time spent up to now is 64.0 secs Computing kpt #: 265 total cpu time spent up to now is 64.2 secs Computing kpt #: 266 total cpu time spent up to now is 64.4 secs Computing kpt #: 267 total cpu time spent up to now is 64.6 secs Computing kpt #: 268 total cpu time spent up to now is 64.8 secs Computing kpt #: 269 total cpu time spent up to now is 65.1 secs Computing kpt #: 270 total cpu time spent up to now is 65.3 secs Computing kpt #: 271 total cpu time spent up to now is 65.5 secs Computing kpt #: 272 total cpu time spent up to now is 65.7 secs Computing kpt #: 273 total cpu time spent up to now is 65.9 secs Computing kpt #: 274 total cpu time spent up to now is 66.1 secs Computing kpt #: 275 total cpu time spent up to now is 66.3 secs Computing kpt #: 276 total cpu time spent up to now is 66.5 secs Computing kpt #: 277 total cpu time spent up to now is 66.7 secs Computing kpt #: 278 total cpu time spent up to now is 66.9 secs Computing kpt #: 279 total cpu time spent up to now is 67.1 secs Computing kpt #: 280 total cpu time spent up to now is 67.3 secs Computing kpt #: 281 total cpu time spent up to now is 67.5 secs Computing kpt #: 282 total cpu time spent up to now is 67.7 secs Computing kpt #: 283 total cpu time spent up to now is 67.9 secs Computing kpt #: 284 total cpu time spent up to now is 68.2 secs Computing kpt #: 285 total cpu time spent up to now is 68.4 secs Computing kpt #: 286 total cpu time spent up to now is 68.6 secs Computing kpt #: 287 total cpu time spent up to now is 68.9 secs Computing kpt #: 288 total cpu time spent up to now is 69.2 secs Computing kpt #: 289 total cpu time spent up to now is 69.4 secs Computing kpt #: 290 total cpu time spent up to now is 69.7 secs Computing kpt #: 291 total cpu time spent up to now is 69.9 secs Computing kpt #: 292 total cpu time spent up to now is 70.1 secs Computing kpt #: 293 total cpu time spent up to now is 70.4 secs Computing kpt #: 294 total cpu time spent up to now is 70.6 secs Computing kpt #: 295 total cpu time spent up to now is 70.8 secs Computing kpt #: 296 total cpu time spent up to now is 71.0 secs Computing kpt #: 297 total cpu time spent up to now is 71.2 secs Computing kpt #: 298 total cpu time spent up to now is 71.5 secs Computing kpt #: 299 total cpu time spent up to now is 71.7 secs Computing kpt #: 300 total cpu time spent up to now is 71.9 secs Computing kpt #: 301 total cpu time spent up to now is 72.1 secs Computing kpt #: 302 total cpu time spent up to now is 72.4 secs Computing kpt #: 303 total cpu time spent up to now is 72.6 secs Computing kpt #: 304 total cpu time spent up to now is 72.8 secs Computing kpt #: 305 total cpu time spent up to now is 73.0 secs Computing kpt #: 306 total cpu time spent up to now is 73.2 secs Computing kpt #: 307 total cpu time spent up to now is 73.5 secs Computing kpt #: 308 total cpu time spent up to now is 73.7 secs Computing kpt #: 309 total cpu time spent up to now is 73.9 secs Computing kpt #: 310 total cpu time spent up to now is 74.1 secs Computing kpt #: 311 total cpu time spent up to now is 74.4 secs Computing kpt #: 312 total cpu time spent up to now is 74.6 secs Computing kpt #: 313 total cpu time spent up to now is 74.9 secs Computing kpt #: 314 total cpu time spent up to now is 75.1 secs Computing kpt #: 315 total cpu time spent up to now is 75.4 secs Computing kpt #: 316 total cpu time spent up to now is 75.6 secs Computing kpt #: 317 total cpu time spent up to now is 75.8 secs Computing kpt #: 318 total cpu time spent up to now is 76.0 secs Computing kpt #: 319 total cpu time spent up to now is 76.2 secs Computing kpt #: 320 total cpu time spent up to now is 76.4 secs ethr = 4.17E-08, avg # of iterations = 19.9 total cpu time spent up to now is 76.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5299 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7311 -8.7311 -8.0492 -8.0492 -0.3676 -0.3676 2.4819 2.4819 2.5554 2.5554 3.2585 3.2585 3.6279 3.6279 3.6410 3.6410 6.9273 6.9273 8.1452 8.1452 10.1112 10.1112 10.1393 10.1393 k = 0.0114 0.0066-0.0000 ( 5299 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7304 -8.7304 -8.0488 -8.0488 -0.3666 -0.3666 2.4793 2.4793 2.5526 2.5526 3.2549 3.2549 3.6261 3.6261 3.6373 3.6373 6.9340 6.9340 8.1513 8.1513 10.1046 10.1046 10.1357 10.1357 k = 0.0227 0.0131-0.0000 ( 5299 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7284 -8.7284 -8.0477 -8.0477 -0.3637 -0.3637 2.4714 2.4714 2.5442 2.5442 3.2446 3.2446 3.6156 3.6156 3.6315 3.6315 6.9541 6.9541 8.1697 8.1697 10.0756 10.0756 10.1367 10.1367 k = 0.0341 0.0197-0.0000 ( 5291 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7249 -8.7249 -8.0457 -8.0457 -0.3589 -0.3589 2.4580 2.4580 2.5304 2.5304 3.2279 3.2279 3.5923 3.5923 3.6283 3.6283 6.9867 6.9867 8.1998 8.1998 10.0258 10.0258 10.1456 10.1456 k = 0.0455 0.0262-0.0000 ( 5295 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7201 -8.7201 -8.0431 -8.0431 -0.3521 -0.3521 2.4387 2.4387 2.5112 2.5112 3.2056 3.2056 3.5596 3.5596 3.6252 3.6252 7.0310 7.0310 8.2410 8.2410 9.9633 9.9633 10.1596 10.1596 k = 0.0568 0.0328-0.0000 ( 5299 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.7139 -8.7139 -8.0397 -8.0397 -0.3435 -0.3435 2.4125 2.4125 2.4873 2.4873 3.1787 3.1787 3.5195 3.5195 3.6213 3.6213 7.0855 7.0855 8.2922 8.2922 9.8930 9.8930 10.1776 10.1776 k = 0.0682 0.0394-0.0000 ( 5291 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7064 -8.7064 -8.0355 -8.0355 -0.3330 -0.3330 2.3787 2.3787 2.4593 2.4593 3.1480 3.1480 3.4735 3.4735 3.6164 3.6164 7.1488 7.1488 8.3522 8.3522 9.8186 9.8186 10.1991 10.1991 k = 0.0795 0.0459-0.0000 ( 5305 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6976 -8.6976 -8.0307 -8.0307 -0.3207 -0.3207 2.3365 2.3365 2.4278 2.4278 3.1145 3.1145 3.4231 3.4231 3.6105 3.6105 7.2191 7.2191 8.4192 8.4192 9.7428 9.7428 10.2235 10.2235 k = 0.0909 0.0525-0.0000 ( 5297 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.6874 -8.6874 -8.0252 -8.0252 -0.3065 -0.3065 2.2855 2.2855 2.3933 2.3933 3.0789 3.0789 3.3701 3.3701 3.6035 3.6035 7.2948 7.2948 8.4909 8.4909 9.6686 9.6686 10.2504 10.2504 k = 0.1023 0.0590-0.0000 ( 5291 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6760 -8.6760 -8.0191 -8.0191 -0.2907 -0.2907 2.2260 2.2260 2.3557 2.3557 3.0414 3.0414 3.3159 3.3159 3.5953 3.5953 7.3740 7.3740 8.5642 8.5642 9.5991 9.5991 10.2791 10.2791 k = 0.1136 0.0656-0.0000 ( 5287 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6634 -8.6634 -8.0124 -8.0124 -0.2731 -0.2731 2.1586 2.1586 2.3150 2.3150 3.0022 3.0022 3.2620 3.2620 3.5859 3.5859 7.4551 7.4551 8.6351 8.6351 9.5384 9.5384 10.3088 10.3088 k = 0.1250 0.0722-0.0000 ( 5291 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6495 -8.6495 -8.0051 -8.0051 -0.2540 -0.2540 2.0842 2.0842 2.2711 2.2711 2.9612 2.9612 3.2100 3.2100 3.5753 3.5753 7.5360 7.5360 8.6975 8.6975 9.4919 9.4919 10.3387 10.3387 k = 0.1364 0.0787-0.0000 ( 5293 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6345 -8.6345 -7.9972 -7.9972 -0.2333 -0.2333 2.0038 2.0038 2.2239 2.2239 2.9182 2.9182 3.1608 3.1608 3.5636 3.5636 7.6149 7.6149 8.7444 8.7444 9.4664 9.4664 10.3677 10.3677 k = 0.1477 0.0853-0.0000 ( 5293 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6184 -8.6184 -7.9889 -7.9889 -0.2112 -0.2112 1.9184 1.9184 2.1735 2.1735 2.8732 2.8732 3.1153 3.1153 3.5506 3.5506 7.6894 7.6894 8.7698 8.7698 9.4673 9.4673 10.3951 10.3951 k = 0.1591 0.0919-0.0000 ( 5295 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6012 -8.6012 -7.9802 -7.9802 -0.1878 -0.1878 1.8292 1.8292 2.1199 2.1199 2.8265 2.8265 3.0736 3.0736 3.5365 3.5365 7.7573 7.7573 8.7725 8.7725 9.4944 9.4944 10.4194 10.4194 k = 0.1705 0.0984-0.0000 ( 5299 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6388 -38.6388 -38.6362 -38.6362 -8.5830 -8.5830 -7.9711 -7.9711 -0.1633 -0.1633 1.7370 1.7370 2.0634 2.0634 2.7787 2.7787 3.0354 3.0354 3.5213 3.5213 7.8157 7.8157 8.7584 8.7584 9.5408 9.5408 10.4368 10.4368 k = 0.1818 0.1050-0.0000 ( 5309 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6388 -38.6388 -38.6362 -38.6362 -8.5638 -8.5638 -7.9617 -7.9617 -0.1378 -0.1378 1.6428 1.6428 2.0043 2.0043 2.7304 2.7304 3.0002 3.0002 3.5049 3.5049 7.8617 7.8617 8.7361 8.7361 9.5949 9.5949 10.4050 10.4050 k = 0.1932 0.1115-0.0000 ( 5305 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6388 -38.6388 -38.6362 -38.6362 -8.5437 -8.5437 -7.9520 -7.9520 -0.1115 -0.1115 1.5475 1.5475 1.9431 1.9431 2.6824 2.6824 2.9674 2.9674 3.4874 3.4874 7.8924 7.8924 8.7138 8.7138 9.6442 9.6442 10.3524 10.3524 k = 0.2045 0.1181-0.0000 ( 5305 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6388 -38.6388 -38.6362 -38.6362 -8.5227 -8.5227 -7.9422 -7.9422 -0.0847 -0.0847 1.4520 1.4520 1.8803 1.8803 2.6353 2.6353 2.9364 2.9364 3.4689 3.4689 7.9056 7.9056 8.6969 8.6969 9.6765 9.6765 10.3179 10.3179 k = 0.2159 0.1247-0.0000 ( 5301 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.5010 -8.5010 -7.9322 -7.9322 -0.0576 -0.0576 1.3569 1.3569 1.8164 1.8164 2.5894 2.5894 2.9066 2.9066 3.4494 3.4494 7.9007 7.9007 8.6882 8.6882 9.6832 9.6832 10.3071 10.3071 k = 0.2273 0.1312-0.0000 ( 5307 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.4786 -8.4786 -7.9222 -7.9222 -0.0308 -0.0308 1.2632 1.2632 1.7521 1.7521 2.5451 2.5451 2.8776 2.8776 3.4290 3.4290 7.8793 7.8793 8.6873 8.6873 9.6629 9.6629 10.3180 10.3180 k = 0.2386 0.1378-0.0000 ( 5301 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.4555 -8.4555 -7.9122 -7.9122 -0.0046 -0.0046 1.1715 1.1715 1.6880 1.6880 2.5025 2.5025 2.8492 2.8492 3.4077 3.4077 7.8443 7.8443 8.6922 8.6922 9.6213 9.6213 10.3417 10.3417 k = 0.2500 0.1443-0.0000 ( 5297 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.4319 -8.4319 -7.9022 -7.9022 0.0204 0.0204 1.0827 1.0827 1.6249 1.6249 2.4617 2.4617 2.8209 2.8209 3.3857 3.3857 7.7991 7.7991 8.7001 8.7001 9.5664 9.5664 10.3675 10.3675 k = 0.2614 0.1509-0.0000 ( 5295 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.4079 -8.4079 -7.8925 -7.8925 0.0433 0.0433 0.9976 0.9976 1.5634 1.5634 2.4228 2.4228 2.7926 2.7926 3.3630 3.3630 7.7471 7.7471 8.7085 8.7085 9.5039 9.5039 10.3859 10.3859 k = 0.2727 0.1575-0.0000 ( 5271 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.3835 -8.3835 -7.8830 -7.8830 0.0632 0.0632 0.9171 0.9171 1.5043 1.5043 2.3858 2.3858 2.7641 2.7641 3.3397 3.3397 7.6906 7.6906 8.7154 8.7154 9.4381 9.4381 10.3917 10.3917 k = 0.2841 0.1640-0.0000 ( 5286 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6390 -38.6390 -38.6362 -38.6362 -8.3588 -8.3588 -7.8739 -7.8739 0.0790 0.0790 0.8423 0.8423 1.4484 1.4484 2.3507 2.3507 2.7354 2.7354 3.3159 3.3159 7.6319 7.6319 8.7198 8.7198 9.3714 9.3714 10.3868 10.3868 k = 0.2955 0.1706-0.0000 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6390 -38.6390 -38.6362 -38.6362 -8.3339 -8.3339 -7.8651 -7.8651 0.0892 0.0892 0.7743 0.7743 1.3965 1.3965 2.3176 2.3176 2.7061 2.7061 3.2919 3.2919 7.5723 7.5723 8.7211 8.7211 9.3052 9.3052 10.3756 10.3756 k = 0.3068 0.1771-0.0000 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6390 -38.6390 -38.6362 -38.6362 -8.3090 -8.3090 -7.8569 -7.8569 0.0926 0.0926 0.7142 0.7142 1.3495 1.3495 2.2863 2.2863 2.6763 2.6763 3.2678 3.2678 7.5131 7.5131 8.7194 8.7194 9.2408 9.2408 10.3607 10.3607 k = 0.3182 0.1837-0.0000 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.2842 -8.2842 -7.8491 -7.8491 0.0877 0.0877 0.6628 0.6628 1.3083 1.3083 2.2571 2.2571 2.6459 2.6459 3.2437 3.2437 7.4549 7.4549 8.7147 8.7147 9.1786 9.1786 10.3440 10.3440 k = 0.3295 0.1903-0.0000 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.2595 -8.2595 -7.8420 -7.8420 0.0741 0.0741 0.6202 0.6202 1.2736 1.2736 2.2298 2.2298 2.6147 2.6147 3.2198 3.2198 7.3985 7.3985 8.7075 8.7075 9.1193 9.1193 10.3263 10.3263 k = 0.3409 0.1968-0.0000 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.2351 -8.2351 -7.8356 -7.8356 0.0521 0.0521 0.5856 0.5856 1.2462 1.2462 2.2045 2.2045 2.5829 2.5829 3.1964 3.1964 7.3443 7.3443 8.6982 8.6982 9.0632 9.0632 10.3082 10.3082 k = 0.3523 0.2034-0.0000 ( 5274 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.2111 -8.2111 -7.8299 -7.8299 0.0231 0.0231 0.5573 0.5573 1.2266 1.2266 2.1812 2.1812 2.5502 2.5502 3.1736 3.1736 7.2928 7.2928 8.6874 8.6874 9.0105 9.0105 10.2902 10.2902 k = 0.3636 0.2099-0.0000 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.1877 -8.1877 -7.8250 -7.8250 -0.0108 -0.0108 0.5334 0.5334 1.2150 1.2150 2.1601 2.1601 2.5168 2.5168 3.1517 3.1517 7.2443 7.2443 8.6756 8.6756 8.9614 8.9614 10.2727 10.2727 k = 0.3750 0.2165-0.0000 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.1649 -8.1649 -7.8209 -7.8209 -0.0475 -0.0475 0.5121 0.5121 1.2109 1.2109 2.1412 2.1412 2.4828 2.4828 3.1309 3.1309 7.1989 7.1989 8.6633 8.6633 8.9160 8.9160 10.2559 10.2559 k = 0.3864 0.2231-0.0000 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.1431 -8.1431 -7.8176 -7.8176 -0.0852 -0.0852 0.4922 0.4922 1.2138 1.2138 2.1246 2.1246 2.4482 2.4482 3.1113 3.1113 7.1570 7.1570 8.6507 8.6507 8.8744 8.8744 10.2400 10.2400 k = 0.3977 0.2296-0.0000 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.1222 -8.1222 -7.8152 -7.8152 -0.1222 -0.1222 0.4731 0.4731 1.2225 1.2225 2.1104 2.1104 2.4133 2.4133 3.0930 3.0930 7.1187 7.1187 8.6384 8.6384 8.8367 8.8367 10.2252 10.2252 k = 0.4091 0.2362-0.0000 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.1026 -8.1026 -7.8135 -7.8135 -0.1575 -0.1575 0.4547 0.4547 1.2358 1.2358 2.0987 2.0987 2.3783 2.3783 3.0764 3.0764 7.0841 7.0841 8.6266 8.6266 8.8029 8.8029 10.2116 10.2116 k = 0.4205 0.2427-0.0000 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0844 -8.0844 -7.8126 -7.8126 -0.1900 -0.1900 0.4372 0.4372 1.2522 1.2522 2.0897 2.0897 2.3436 2.3436 3.0614 3.0614 7.0534 7.0534 8.6157 8.6157 8.7731 8.7731 10.1994 10.1994 k = 0.4318 0.2493-0.0000 ( 5258 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.0678 -8.0678 -7.8123 -7.8123 -0.2192 -0.2192 0.4211 0.4211 1.2703 1.2703 2.0836 2.0836 2.3096 2.3096 3.0483 3.0483 7.0266 7.0266 8.6058 8.6058 8.7472 8.7472 10.1887 10.1887 k = 0.4432 0.2559-0.0000 ( 5248 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.0531 -8.0531 -7.8125 -7.8125 -0.2446 -0.2446 0.4067 0.4067 1.2888 1.2888 2.0804 2.0804 2.2768 2.2768 3.0370 3.0370 7.0038 7.0038 8.5971 8.5971 8.7252 8.7252 10.1795 10.1795 k = 0.4545 0.2624-0.0000 ( 5242 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.0405 -8.0405 -7.8131 -7.8131 -0.2658 -0.2658 0.3943 0.3943 1.3061 1.3061 2.0803 2.0803 2.2460 2.2460 3.0277 3.0277 6.9851 6.9851 8.5898 8.5898 8.7073 8.7073 10.1719 10.1719 k = 0.4659 0.2690-0.0000 ( 5252 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0303 -8.0303 -7.8139 -7.8139 -0.2825 -0.2825 0.3844 0.3844 1.3211 1.3211 2.0831 2.0831 2.2180 2.2180 3.0205 3.0205 6.9705 6.9705 8.5840 8.5840 8.6933 8.6933 10.1659 10.1659 k = 0.4773 0.2756-0.0000 ( 5246 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0228 -8.0228 -7.8146 -7.8146 -0.2946 -0.2946 0.3771 0.3771 1.3327 1.3327 2.0882 2.0882 2.1942 2.1942 3.0152 3.0152 6.9601 6.9601 8.5798 8.5798 8.6834 8.6834 10.1616 10.1616 k = 0.4886 0.2821-0.0000 ( 5246 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0181 -8.0181 -7.8152 -7.8152 -0.3019 -0.3019 0.3727 0.3727 1.3401 1.3401 2.0939 2.0939 2.1771 2.1771 3.0121 3.0121 6.9538 6.9538 8.5773 8.5773 8.6774 8.6774 10.1590 10.1590 k = 0.5000 0.2887-0.0000 ( 5250 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0166 -8.0166 -7.8154 -7.8154 -0.3044 -0.3044 0.3712 0.3712 1.3426 1.3426 2.0967 2.0967 2.1705 2.1705 3.0110 3.0110 6.9517 6.9517 8.5764 8.5764 8.6754 8.6754 10.1581 10.1581 k = 0.5000 0.2887-0.0000 ( 5250 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0166 -8.0166 -7.8154 -7.8154 -0.3044 -0.3044 0.3712 0.3712 1.3426 1.3426 2.0967 2.0967 2.1705 2.1705 3.0110 3.0110 6.9517 6.9517 8.5764 8.5764 8.6754 8.6754 10.1581 10.1581 k = 0.4936 0.2998-0.0000 ( 5246 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0162 -8.0162 -7.8153 -7.8153 -0.3036 -0.3036 0.3720 0.3720 1.3432 1.3432 2.0914 2.0914 2.1711 2.1711 3.0071 3.0071 6.9554 6.9554 8.5835 8.5835 8.6771 8.6771 10.1584 10.1584 k = 0.4872 0.3109-0.0000 ( 5242 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0152 -8.0152 -7.8151 -7.8151 -0.3014 -0.3014 0.3744 0.3744 1.3448 1.3448 2.0764 2.0764 2.1721 2.1721 2.9953 2.9953 6.9664 6.9664 8.6043 8.6043 8.6826 8.6826 10.1592 10.1592 k = 0.4808 0.3220-0.0000 ( 5244 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0135 -8.0135 -7.8148 -7.8148 -0.2977 -0.2977 0.3783 0.3783 1.3476 1.3476 2.0534 2.0534 2.1721 2.1721 2.9759 2.9759 6.9838 6.9838 8.6378 8.6378 8.6932 8.6932 10.1607 10.1607 k = 0.4744 0.3331-0.0000 ( 5240 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0111 -8.0111 -7.8143 -7.8143 -0.2926 -0.2926 0.3837 0.3837 1.3513 1.3513 2.0239 2.0239 2.1703 2.1703 2.9496 2.9496 7.0066 7.0066 8.6788 8.6788 8.7145 8.7145 10.1629 10.1629 k = 0.4679 0.3442-0.0000 ( 5246 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0080 -8.0080 -7.8138 -7.8138 -0.2861 -0.2861 0.3907 0.3907 1.3559 1.3559 1.9887 1.9887 2.1661 2.1661 2.9170 2.9170 7.0331 7.0331 8.7123 8.7123 8.7621 8.7621 10.1661 10.1661 k = 0.4615 0.3553-0.0000 ( 5244 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0043 -8.0043 -7.8132 -7.8132 -0.2782 -0.2782 0.3991 0.3991 1.3610 1.3610 1.9490 1.9490 2.1594 2.1594 2.8789 2.8789 7.0615 7.0615 8.7427 8.7427 8.8322 8.8322 10.1704 10.1704 k = 0.4551 0.3664-0.0000 ( 5232 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.0000 -8.0000 -7.8125 -7.8125 -0.2691 -0.2691 0.4089 0.4089 1.3665 1.3665 1.9056 1.9056 2.1500 2.1500 2.8363 2.8363 7.0899 7.0899 8.7798 8.7798 8.9156 8.9156 10.1761 10.1761 k = 0.4487 0.3775-0.0000 ( 5238 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9950 -7.9950 -7.8118 -7.8118 -0.2587 -0.2587 0.4201 0.4201 1.3719 1.3719 1.8597 1.8597 2.1380 2.1380 2.7903 2.7903 7.1163 7.1163 8.8270 8.8270 9.0094 9.0094 10.1832 10.1832 k = 0.4423 0.3886-0.0000 ( 5240 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9895 -7.9895 -7.8111 -7.8111 -0.2473 -0.2473 0.4324 0.4324 1.3765 1.3765 1.8128 1.8128 2.1231 2.1231 2.7419 2.7419 7.1388 7.1388 8.8862 8.8862 9.1121 9.1121 10.1920 10.1920 k = 0.4359 0.3997-0.0000 ( 5248 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9835 -7.9835 -7.8105 -7.8105 -0.2349 -0.2349 0.4459 0.4459 1.3794 1.3794 1.7663 1.7663 2.1052 2.1052 2.6923 2.6923 7.1562 7.1562 8.9582 8.9582 9.2222 9.2222 10.2027 10.2027 k = 0.4295 0.4108-0.0000 ( 5248 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9769 -7.9769 -7.8100 -7.8100 -0.2217 -0.2217 0.4604 0.4604 1.3793 1.3793 1.7223 1.7223 2.0844 2.0844 2.6425 2.6425 7.1677 7.1677 9.0438 9.0438 9.3382 9.3382 10.2153 10.2153 k = 0.4231 0.4219-0.0000 ( 5258 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9699 -7.9699 -7.8096 -7.8096 -0.2078 -0.2078 0.4757 0.4757 1.3747 1.3747 1.6828 1.6828 2.0608 2.0608 2.5936 2.5936 7.1731 7.1731 9.1427 9.1427 9.4585 9.4585 10.2300 10.2300 k = 0.4167 0.4330-0.0000 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9624 -7.9624 -7.8094 -7.8094 -0.1934 -0.1934 0.4917 0.4917 1.3639 1.3639 1.6497 1.6497 2.0350 2.0350 2.5462 2.5462 7.1726 7.1726 9.2543 9.2543 9.5813 9.5813 10.2471 10.2471 k = 0.4103 0.4441-0.0000 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9546 -7.9546 -7.8095 -7.8095 -0.1787 -0.1787 0.5081 0.5081 1.3462 1.3462 1.6240 1.6240 2.0079 2.0079 2.5010 2.5010 7.1670 7.1670 9.3773 9.3773 9.7044 9.7044 10.2666 10.2666 k = 0.4038 0.4552-0.0000 ( 5252 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9464 -7.9464 -7.8099 -7.8099 -0.1640 -0.1640 0.5247 0.5247 1.3221 1.3221 1.6047 1.6047 1.9810 1.9810 2.4583 2.4583 7.1571 7.1571 9.5101 9.5101 9.8253 9.8253 10.2892 10.2892 k = 0.3974 0.4663-0.0000 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9380 -7.9380 -7.8106 -7.8106 -0.1495 -0.1495 0.5411 0.5411 1.2940 1.2940 1.5890 1.5890 1.9564 1.9564 2.4179 2.4179 7.1439 7.1439 9.6506 9.6506 9.9410 9.9410 10.3154 10.3154 k = 0.3910 0.4774-0.0000 ( 5260 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9293 -7.9293 -7.8117 -7.8117 -0.1356 -0.1356 0.5570 0.5570 1.2646 1.2646 1.5737 1.5737 1.9364 1.9364 2.3797 2.3797 7.1285 7.1285 9.7961 9.7961 10.0482 10.0482 10.3468 10.3468 k = 0.3846 0.4885-0.0000 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9204 -7.9204 -7.8133 -7.8133 -0.1225 -0.1225 0.5722 0.5722 1.2362 1.2362 1.5558 1.5558 1.9232 1.9232 2.3433 2.3433 7.1118 7.1118 9.9419 9.9419 10.1433 10.1433 10.3857 10.3857 k = 0.3782 0.4996-0.0000 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9115 -7.9115 -7.8155 -7.8155 -0.1105 -0.1105 0.5861 0.5861 1.2107 1.2107 1.5340 1.5340 1.9181 1.9181 2.3083 2.3083 7.0949 7.0949 10.0796 10.0796 10.2261 10.2261 10.4356 10.4356 k = 0.3718 0.5107-0.0000 ( 5250 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9024 -7.9024 -7.8182 -7.8182 -0.1000 -0.1000 0.5986 0.5986 1.1893 1.1893 1.5085 1.5085 1.9213 1.9213 2.2743 2.2743 7.0785 7.0785 10.1915 10.1915 10.3032 10.3032 10.5019 10.5019 k = 0.3654 0.5218-0.0000 ( 5250 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8934 -7.8934 -7.8216 -7.8216 -0.0911 -0.0911 0.6095 0.6095 1.1726 1.1726 1.4808 1.4808 1.9319 1.9319 2.2409 2.2409 7.0632 7.0632 10.2621 10.2621 10.3773 10.3773 10.5929 10.5929 k = 0.3590 0.5329-0.0000 ( 5248 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8844 -7.8844 -7.8258 -7.8258 -0.0841 -0.0841 0.6184 0.6184 1.1606 1.1606 1.4533 1.4533 1.9485 1.9485 2.2082 2.2082 7.0498 7.0498 10.3040 10.3040 10.4327 10.4327 10.7070 10.7070 k = 0.3526 0.5440-0.0000 ( 5252 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8755 -7.8755 -7.8306 -7.8306 -0.0789 -0.0789 0.6255 0.6255 1.1528 1.1528 1.4285 1.4285 1.9696 1.9696 2.1760 2.1760 7.0388 7.0388 10.3314 10.3314 10.4673 10.4673 10.8260 10.8260 k = 0.3462 0.5551-0.0000 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8669 -7.8669 -7.8363 -7.8363 -0.0755 -0.0755 0.6307 0.6307 1.1483 1.1483 1.4087 1.4087 1.9933 1.9933 2.1452 2.1452 7.0305 7.0305 10.3496 10.3496 10.4874 10.4874 10.9284 10.9284 k = 0.3397 0.5662-0.0000 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8585 -7.8585 -7.8429 -7.8429 -0.0737 -0.0737 0.6338 0.6338 1.1461 1.1461 1.3960 1.3960 2.0163 2.0163 2.1183 2.1183 7.0253 7.0253 10.3603 10.3603 10.4976 10.4976 10.9950 10.9950 k = 0.3333 0.5774-0.0000 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8504 -7.8504 -7.8503 -7.8503 -0.0732 -0.0732 0.6349 0.6349 1.1454 1.1454 1.3916 1.3916 2.0282 2.0282 2.1052 2.1052 7.0236 7.0236 10.3638 10.3638 10.5007 10.5007 11.0162 11.0162 k = 0.3333 0.5774-0.0000 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8504 -7.8504 -7.8503 -7.8503 -0.0732 -0.0732 0.6349 0.6349 1.1454 1.1454 1.3916 1.3916 2.0282 2.0282 2.1052 2.1052 7.0236 7.0236 10.3638 10.3638 10.5007 10.5007 11.0162 11.0162 k = 0.3268 0.5660-0.0000 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8589 -7.8589 -7.8425 -7.8425 -0.0736 -0.0736 0.6337 0.6337 1.1462 1.1462 1.3961 1.3961 2.0152 2.0152 2.1194 2.1194 7.0255 7.0255 10.3603 10.3603 10.4978 10.4978 10.9997 10.9997 k = 0.3203 0.5547-0.0000 ( 5260 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8685 -7.8685 -7.8350 -7.8350 -0.0743 -0.0743 0.6302 0.6302 1.1492 1.1492 1.4087 1.4087 1.9884 1.9884 2.1499 2.1499 7.0313 7.0313 10.3502 10.3502 10.4889 10.4889 10.9614 10.9614 k = 0.3137 0.5434-0.0000 ( 5260 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8792 -7.8792 -7.8281 -7.8281 -0.0749 -0.0749 0.6244 0.6244 1.1550 1.1550 1.4281 1.4281 1.9586 1.9586 2.1863 2.1863 7.0410 7.0410 10.3343 10.3343 10.4738 10.4738 10.9138 10.9138 k = 0.3072 0.5321-0.0000 ( 5252 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8909 -7.8909 -7.8218 -7.8218 -0.0748 -0.0748 0.6166 0.6166 1.1642 1.1642 1.4526 1.4526 1.9292 1.9292 2.2255 2.2255 7.0548 7.0548 10.3136 10.3136 10.4518 10.4518 10.8634 10.8634 k = 0.3007 0.5207-0.0000 ( 5250 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9036 -7.9036 -7.8160 -7.8160 -0.0734 -0.0734 0.6074 0.6074 1.1765 1.1765 1.4806 1.4806 1.9022 1.9022 2.2666 2.2666 7.0725 7.0725 10.2890 10.2890 10.4230 10.4230 10.8133 10.8133 k = 0.2941 0.5094-0.0000 ( 5244 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9175 -7.9175 -7.8110 -7.8110 -0.0705 -0.0705 0.5974 0.5974 1.1912 1.1912 1.5106 1.5106 1.8792 1.8792 2.3090 2.3090 7.0942 7.0942 10.2611 10.2611 10.3884 10.3884 10.7642 10.7642 k = 0.2876 0.4981-0.0000 ( 5258 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9324 -7.9324 -7.8066 -7.8066 -0.0656 -0.0656 0.5875 0.5875 1.2070 1.2070 1.5410 1.5410 1.8624 1.8624 2.3525 2.3525 7.1197 7.1197 10.2302 10.2302 10.3496 10.3496 10.7158 10.7158 k = 0.2810 0.4868-0.0000 ( 5260 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9484 -7.9484 -7.8030 -7.8030 -0.0585 -0.0585 0.5784 0.5784 1.2222 1.2222 1.5706 1.5706 1.8540 1.8540 2.3968 2.3968 7.1489 7.1489 10.1966 10.1966 10.3091 10.3091 10.6671 10.6671 k = 0.2745 0.4755-0.0000 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9654 -7.9654 -7.8002 -7.8002 -0.0490 -0.0490 0.5706 0.5706 1.2349 1.2349 1.5986 1.5986 1.8560 1.8560 2.4418 2.4418 7.1816 7.1816 10.1601 10.1601 10.2691 10.2691 10.6173 10.6173 k = 0.2680 0.4641-0.0000 ( 5266 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9835 -7.9835 -7.7982 -7.7982 -0.0370 -0.0370 0.5647 0.5647 1.2432 1.2432 1.6254 1.6254 1.8692 1.8692 2.4873 2.4873 7.2177 7.2177 10.1210 10.1210 10.2315 10.2315 10.5660 10.5660 k = 0.2614 0.4528-0.0000 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -8.0025 -8.0025 -7.7970 -7.7970 -0.0226 -0.0226 0.5612 0.5612 1.2459 1.2459 1.6527 1.6527 1.8929 1.8929 2.5332 2.5332 7.2567 7.2567 10.0796 10.0796 10.1973 10.1973 10.5134 10.5134 k = 0.2549 0.4415-0.0000 ( 5266 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -8.0224 -8.0224 -7.7967 -7.7967 -0.0059 -0.0059 0.5604 0.5604 1.2429 1.2429 1.6826 1.6826 1.9251 1.9251 2.5792 2.5792 7.2986 7.2986 10.0368 10.0368 10.1667 10.1667 10.4597 10.4597 k = 0.2484 0.4302-0.0000 ( 5266 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0432 -8.0432 -7.7973 -7.7973 0.0128 0.0128 0.5626 0.5626 1.2348 1.2348 1.7163 1.7163 1.9634 1.9634 2.6254 2.6254 7.3431 7.3431 9.9934 9.9934 10.1398 10.1398 10.4057 10.4057 k = 0.2418 0.4189-0.0000 ( 5270 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0648 -8.0648 -7.7986 -7.7986 0.0330 0.0330 0.5681 0.5681 1.2234 1.2234 1.7542 1.7542 2.0061 2.0061 2.6715 2.6715 7.3897 7.3897 9.9498 9.9498 10.1163 10.1163 10.3526 10.3526 k = 0.2353 0.4075-0.0000 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0872 -8.0872 -7.8009 -7.8009 0.0542 0.0542 0.5772 0.5772 1.2104 1.2104 1.7959 1.7959 2.0517 2.0517 2.7175 2.7175 7.4383 7.4383 9.9060 9.9060 10.0960 10.0961 10.3016 10.3016 k = 0.2288 0.3962-0.0000 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.1102 -8.1102 -7.8039 -7.8039 0.0754 0.0754 0.5902 0.5902 1.1978 1.1978 1.8409 1.8409 2.0993 2.0993 2.7632 2.7632 7.4884 7.4884 9.8614 9.8614 10.0790 10.0790 10.2545 10.2545 k = 0.2222 0.3849-0.0000 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.1338 -8.1338 -7.8078 -7.8078 0.0957 0.0957 0.6075 0.6075 1.1874 1.1874 1.8884 1.8884 2.1482 2.1482 2.8085 2.8085 7.5397 7.5397 9.8150 9.8150 10.0653 10.0653 10.2132 10.2132 k = 0.2157 0.3736-0.0000 ( 5269 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.1580 -8.1580 -7.8125 -7.8125 0.1140 0.1140 0.6296 0.6296 1.1805 1.1805 1.9378 1.9378 2.1979 2.1979 2.8534 2.8534 7.5918 7.5918 9.7657 9.7657 10.0550 10.0550 10.1795 10.1795 k = 0.2092 0.3623-0.0000 ( 5269 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.1826 -8.1826 -7.8179 -7.8179 0.1291 0.1291 0.6569 0.6569 1.1785 1.1785 1.9885 1.9885 2.2481 2.2481 2.8976 2.8976 7.6443 7.6443 9.7128 9.7128 10.0486 10.0486 10.1549 10.1549 k = 0.2026 0.3509-0.0000 ( 5275 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.2075 -8.2075 -7.8240 -7.8240 0.1399 0.1399 0.6899 0.6899 1.1824 1.1824 2.0401 2.0401 2.2984 2.2984 2.9412 2.9412 7.6969 7.6969 9.6560 9.6560 10.0464 10.0464 10.1398 10.1398 k = 0.1961 0.3396-0.0000 ( 5271 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.2327 -8.2327 -7.8307 -7.8307 0.1455 0.1455 0.7290 0.7290 1.1929 1.1929 2.0921 2.0921 2.3487 2.3487 2.9841 2.9841 7.7490 7.7490 9.5955 9.5955 10.0491 10.0491 10.1339 10.1339 k = 0.1895 0.3283-0.0000 ( 5279 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.2581 -8.2581 -7.8381 -7.8381 0.1456 0.1456 0.7743 0.7743 1.2104 1.2104 2.1444 2.1444 2.3986 2.3986 3.0260 3.0260 7.8003 7.8003 9.5322 9.5322 10.0566 10.0566 10.1365 10.1365 k = 0.1830 0.3170-0.0000 ( 5287 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.2836 -8.2836 -7.8461 -7.8461 0.1401 0.1401 0.8256 0.8256 1.2349 1.2349 2.1964 2.1964 2.4481 2.4481 3.0670 3.0670 7.8501 7.8501 9.4672 9.4672 10.0683 10.0683 10.1267 10.1267 k = 0.1765 0.3057-0.0000 ( 5291 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.3090 -8.3090 -7.8545 -7.8545 0.1296 0.1296 0.8827 0.8827 1.2664 1.2664 2.2482 2.2482 2.4971 2.4971 3.1070 3.1070 7.8978 7.8978 9.4017 9.4017 10.0608 10.0608 10.0916 10.0916 k = 0.1699 0.2943-0.0000 ( 5291 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.3344 -8.3344 -7.8634 -7.8634 0.1145 0.1145 0.9450 0.9450 1.3043 1.3043 2.2993 2.2993 2.5454 2.5454 3.1459 3.1459 7.9428 7.9428 9.3369 9.3369 9.9976 9.9976 10.1086 10.1086 k = 0.1634 0.2830-0.0000 ( 5293 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6390 -38.6390 -38.6362 -38.6362 -8.3596 -8.3596 -7.8727 -7.8727 0.0957 0.0957 1.0121 1.0121 1.3483 1.3483 2.3497 2.3497 2.5930 2.5930 3.1837 3.1837 7.9839 7.9839 9.2742 9.2742 9.9275 9.9275 10.1313 10.1313 k = 0.1569 0.2717-0.0000 ( 5285 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.3845 -8.3845 -7.8823 -7.8823 0.0739 0.0739 1.0834 1.0834 1.3978 1.3978 2.3992 2.3992 2.6398 2.6398 3.2202 3.2202 8.0199 8.0199 9.2154 9.2154 9.8542 9.8542 10.1568 10.1568 k = 0.1503 0.2604-0.0000 ( 5281 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.4091 -8.4091 -7.8921 -7.8921 0.0499 0.0499 1.1582 1.1582 1.4522 1.4522 2.4478 2.4478 2.6859 2.6859 3.2554 3.2554 8.0491 8.0491 9.1624 9.1624 9.7785 9.7785 10.1847 10.1847 k = 0.1438 0.2491-0.0000 ( 5285 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.4333 -8.4333 -7.9021 -7.9021 0.0241 0.0241 1.2360 1.2360 1.5109 1.5109 2.4953 2.4953 2.7313 2.7313 3.2892 3.2892 8.0697 8.0697 9.1175 9.1175 9.7009 9.7009 10.2147 10.2147 k = 0.1373 0.2377-0.0000 ( 5281 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.4569 -8.4569 -7.9122 -7.9122 -0.0027 -0.0027 1.3162 1.3162 1.5732 1.5732 2.5417 2.5417 2.7760 2.7760 3.3217 3.3217 8.0793 8.0793 9.0832 9.0832 9.6216 9.6216 10.2461 10.2461 k = 0.1307 0.2264-0.0000 ( 5289 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.4799 -8.4799 -7.9224 -7.9224 -0.0302 -0.0302 1.3984 1.3984 1.6385 1.6385 2.5871 2.5871 2.8202 2.8202 3.3527 3.3527 8.0759 8.0759 9.0619 9.0619 9.5407 9.5407 10.2780 10.2780 k = 0.1242 0.2151-0.0000 ( 5289 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6388 -38.6388 -38.6362 -38.6362 -8.5023 -8.5023 -7.9325 -7.9325 -0.0578 -0.0578 1.4818 1.4818 1.7061 1.7061 2.6315 2.6315 2.8639 2.8639 3.3821 3.3821 8.0583 8.0583 9.0549 9.0549 9.4584 9.4584 10.3090 10.3090 k = 0.1176 0.2038-0.0000 ( 5293 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6388 -38.6388 -38.6362 -38.6362 -8.5240 -8.5240 -7.9425 -7.9425 -0.0853 -0.0853 1.5659 1.5659 1.7754 1.7754 2.6750 2.6750 2.9074 2.9074 3.4101 3.4101 8.0263 8.0263 9.0627 9.0627 9.3747 9.3747 10.3373 10.3373 k = 0.1111 0.1925-0.0000 ( 5301 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6388 -38.6388 -38.6362 -38.6362 -8.5449 -8.5449 -7.9524 -7.9524 -0.1124 -0.1124 1.6501 1.6501 1.8455 1.8455 2.7177 2.7177 2.9509 2.9509 3.4364 3.4364 7.9808 7.9808 9.0836 9.0836 9.2905 9.2905 10.3607 10.3607 k = 0.1046 0.1811-0.0000 ( 5297 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6388 -38.6388 -38.6362 -38.6362 -8.5649 -8.5649 -7.9621 -7.9621 -0.1389 -0.1389 1.7338 1.7338 1.9157 1.9157 2.7596 2.7596 2.9946 2.9946 3.4611 3.4611 7.9239 7.9239 9.1121 9.1121 9.2097 9.2097 10.3770 10.3770 k = 0.0980 0.1698-0.0000 ( 5289 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.5840 -8.5840 -7.9715 -7.9715 -0.1644 -0.1644 1.8162 1.8162 1.9850 1.9850 2.8010 2.8010 3.0389 3.0389 3.4842 3.4842 7.8577 7.8577 9.0953 9.0953 9.1836 9.1836 10.3847 10.3847 k = 0.0915 0.1585-0.0000 ( 5289 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6021 -8.6021 -7.9806 -7.9806 -0.1889 -0.1889 1.8967 1.8967 2.0528 2.0528 2.8420 2.8420 3.0840 3.0840 3.5055 3.5055 7.7844 7.7844 9.0142 9.0142 9.2296 9.2296 10.3834 10.3834 k = 0.0850 0.1472-0.0000 ( 5293 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6192 -8.6192 -7.9893 -7.9893 -0.2122 -0.2122 1.9746 1.9746 2.1180 2.1180 2.8826 2.8826 3.1302 3.1302 3.5252 3.5252 7.7059 7.7059 8.9256 8.9256 9.2894 9.2894 10.3734 10.3734 k = 0.0784 0.1358-0.0000 ( 5293 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6352 -8.6352 -7.9976 -7.9976 -0.2342 -0.2342 2.0490 2.0490 2.1799 2.1799 2.9228 2.9228 3.1778 3.1778 3.5431 3.5431 7.6241 7.6241 8.8361 8.8361 9.3563 9.3563 10.3561 10.3561 k = 0.0719 0.1245-0.0000 ( 5295 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6501 -8.6501 -8.0054 -8.0054 -0.2548 -0.2548 2.1191 2.1191 2.2379 2.2379 2.9628 2.9628 3.2268 3.2268 3.5593 3.5593 7.5405 7.5405 8.7470 8.7470 9.4280 9.4280 10.3333 10.3333 k = 0.0654 0.1132-0.0000 ( 5295 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6639 -8.6639 -8.0126 -8.0126 -0.2738 -0.2738 2.1842 2.1842 2.2915 2.2915 3.0022 3.0022 3.2770 3.2770 3.5737 3.5737 7.4565 7.4565 8.6597 8.6597 9.5033 9.5033 10.3070 10.3070 k = 0.0588 0.1019-0.0000 ( 5297 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6764 -8.6764 -8.0193 -8.0193 -0.2912 -0.2912 2.2437 2.2437 2.3403 2.3403 3.0409 3.0409 3.3281 3.3281 3.5864 3.5864 7.3738 7.3738 8.5752 8.5752 9.5810 9.5810 10.2789 10.2789 k = 0.0523 0.0906-0.0000 ( 5299 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6878 -8.6878 -8.0254 -8.0254 -0.3070 -0.3070 2.2967 2.2967 2.3842 2.3842 3.0785 3.0785 3.3793 3.3793 3.5973 3.5973 7.2937 7.2937 8.4949 8.4949 9.6602 9.6602 10.2508 10.2508 k = 0.0458 0.0792-0.0000 ( 5307 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.6978 -8.6978 -8.0309 -8.0309 -0.3210 -0.3210 2.3428 2.3428 2.4233 2.4233 3.1144 3.1144 3.4295 3.4295 3.6065 3.6065 7.2177 7.2177 8.4200 8.4200 9.7395 9.7395 10.2239 10.2239 k = 0.0392 0.0679-0.0000 ( 5295 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.7066 -8.7066 -8.0356 -8.0356 -0.3333 -0.3333 2.3819 2.3819 2.4576 2.4576 3.1482 3.1482 3.4775 3.4775 3.6140 3.6140 7.1475 7.1475 8.3518 8.3518 9.8179 9.8179 10.1993 10.1993 k = 0.0327 0.0566-0.0000 ( 5295 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7140 -8.7140 -8.0397 -8.0397 -0.3437 -0.3437 2.4139 2.4139 2.4870 2.4870 3.1790 3.1790 3.5219 3.5219 3.6200 3.6200 7.0845 7.0845 8.2915 8.2915 9.8934 9.8934 10.1776 10.1776 k = 0.0261 0.0453-0.0000 ( 5291 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7202 -8.7202 -8.0431 -8.0431 -0.3523 -0.3523 2.4392 2.4392 2.5113 2.5113 3.2059 3.2059 3.5608 3.5608 3.6246 3.6246 7.0303 7.0303 8.2404 8.2404 9.9640 9.9640 10.1595 10.1595 k = 0.0196 0.0340-0.0000 ( 5295 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7250 -8.7250 -8.0458 -8.0458 -0.3590 -0.3590 2.4583 2.4583 2.5305 2.5305 3.2281 3.2281 3.5928 3.5928 3.6281 3.6281 6.9863 6.9863 8.1994 8.1994 10.0264 10.0264 10.1455 10.1455 k = 0.0131 0.0226-0.0000 ( 5295 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7284 -8.7284 -8.0477 -8.0477 -0.3637 -0.3637 2.4715 2.4715 2.5443 2.5443 3.2447 3.2447 3.6158 3.6158 3.6315 3.6315 6.9539 6.9539 8.1695 8.1695 10.0759 10.0759 10.1367 10.1367 k = 0.0065 0.0113-0.0000 ( 5299 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7304 -8.7304 -8.0488 -8.0488 -0.3666 -0.3666 2.4793 2.4793 2.5527 2.5527 3.2550 3.2550 3.6261 3.6261 3.6373 3.6373 6.9340 6.9340 8.1513 8.1513 10.1047 10.1047 10.1357 10.1357 k = 0.0000 0.0000 0.0000 ( 5299 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7311 -8.7311 -8.0492 -8.0492 -0.3676 -0.3676 2.4819 2.4819 2.5554 2.5554 3.2585 3.2585 3.6279 3.6279 3.6410 3.6410 6.9273 6.9273 8.1452 8.1452 10.1112 10.1112 10.1393 10.1393 k = 0.0000 0.0000 0.0000 ( 5299 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7311 -8.7311 -8.0492 -8.0492 -0.3676 -0.3676 2.4819 2.4819 2.5554 2.5554 3.2585 3.2585 3.6279 3.6279 3.6410 3.6410 6.9273 6.9273 8.1452 8.1452 10.1112 10.1112 10.1393 10.1393 k = 0.0000 0.0000 0.0131 ( 5299 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7305 -8.7305 -8.0500 -8.0500 -0.3649 -0.3649 2.4798 2.4798 2.5559 2.5559 3.2588 3.2588 3.6228 3.6228 3.6406 3.6406 6.9332 6.9332 8.1456 8.1456 10.1100 10.1100 10.1380 10.1380 k = 0.0000 0.0000 0.0262 ( 5305 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7288 -8.7288 -8.0525 -8.0525 -0.3570 -0.3570 2.4734 2.4734 2.5571 2.5571 3.2600 3.2600 3.6076 3.6076 3.6394 3.6394 6.9507 6.9507 8.1471 8.1471 10.1067 10.1067 10.1344 10.1344 k = 0.0000 0.0000 0.0392 ( 5293 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6361 -38.6361 -8.7259 -8.7259 -8.0565 -8.0565 -0.3438 -0.3438 2.4628 2.4628 2.5592 2.5592 3.2619 3.2619 3.5832 3.5832 3.6374 3.6374 6.9793 6.9793 8.1495 8.1495 10.1012 10.1012 10.1284 10.1284 k = 0.0000 0.0000 0.0523 ( 5299 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7219 -8.7219 -8.0621 -8.0621 -0.3253 -0.3253 2.4476 2.4476 2.5620 2.5620 3.2646 3.2646 3.5504 3.5504 3.6346 3.6346 7.0179 7.0179 8.1527 8.1527 10.0938 10.0938 10.1203 10.1203 k = 0.0000 0.0000 0.0654 ( 5300 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7167 -8.7167 -8.0692 -8.0692 -0.3018 -0.3018 2.4277 2.4277 2.5656 2.5656 3.2680 3.2680 3.5107 3.5107 3.6310 3.6310 7.0654 7.0654 8.1567 8.1567 10.0846 10.0846 10.1103 10.1103 k = 0.0000 0.0000 0.0785 ( 5294 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7105 -8.7105 -8.0778 -8.0778 -0.2733 -0.2733 2.4027 2.4027 2.5699 2.5699 3.2722 3.2722 3.4657 3.4657 3.6267 3.6267 7.1205 7.1205 8.1615 8.1615 10.0740 10.0740 10.0988 10.0988 k = 0.0000 0.0000 0.0916 ( 5294 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.7032 -8.7032 -8.0877 -8.0877 -0.2400 -0.2400 2.3722 2.3722 2.5750 2.5750 3.2770 3.2770 3.4171 3.4171 3.6217 3.6217 7.1816 7.1816 8.1669 8.1669 10.0622 10.0622 10.0860 10.0860 k = 0.0000 0.0000 0.1047 ( 5294 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.6949 -8.6949 -8.0989 -8.0989 -0.2020 -0.2020 2.3360 2.3360 2.5808 2.5808 3.2825 3.2825 3.3664 3.3664 3.6160 3.6160 7.2474 7.2474 8.1729 8.1729 10.0495 10.0495 10.0722 10.0722 k = 0.0000 0.0000 0.1177 ( 5312 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.6856 -8.6856 -8.1113 -8.1113 -0.1596 -0.1596 2.2938 2.2938 2.5872 2.5872 3.2886 3.2886 3.3153 3.3153 3.6096 3.6096 7.3164 7.3164 8.1792 8.1792 10.0362 10.0362 10.0578 10.0578 k = 0.0000 0.0000 0.1308 ( 5324 PWs) bands (ev): -71.9857 -71.9857 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.6755 -8.6755 -8.1247 -8.1247 -0.1131 -0.1131 2.2455 2.2455 2.5942 2.5942 3.2651 3.2651 3.2953 3.2953 3.6027 3.6027 7.3871 7.3871 8.1857 8.1857 10.0227 10.0227 10.0430 10.0430 k = 0.0000 0.0000 0.1439 ( 5330 PWs) bands (ev): -71.9857 -71.9857 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.6645 -8.6645 -8.1390 -8.1390 -0.0627 -0.0627 2.1912 2.1912 2.6018 2.6018 3.2169 3.2169 3.3025 3.3025 3.5952 3.5952 7.4584 7.4584 8.1923 8.1923 10.0091 10.0091 10.0283 10.0283 k = 0.0000 0.0000 0.1570 ( 5318 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.6528 -8.6528 -8.1540 -8.1540 -0.0088 -0.0088 2.1314 2.1314 2.6100 2.6100 3.1717 3.1717 3.3102 3.3102 3.5873 3.5873 7.5290 7.5290 8.1988 8.1988 9.9958 9.9958 10.0139 10.0139 k = 0.0000 0.0000 0.1701 ( 5318 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.6406 -8.6406 -8.1696 -8.1696 0.0480 0.0480 2.0665 2.0665 2.6186 2.6186 3.1298 3.1298 3.3183 3.3183 3.5790 3.5790 7.5977 7.5977 8.2049 8.2049 9.9829 9.9829 9.9999 9.9999 k = 0.0000 0.0000 0.1831 ( 5324 PWs) bands (ev): -71.9857 -71.9857 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.6278 -8.6278 -8.1856 -8.1856 0.1073 0.1073 1.9977 1.9977 2.6275 2.6275 3.0916 3.0916 3.3267 3.3267 3.5703 3.5703 7.6637 7.6637 8.2104 8.2104 9.9707 9.9707 9.9867 9.9867 k = 0.0000 0.0000 0.1962 ( 5312 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.6148 -8.6148 -8.2017 -8.2017 0.1684 0.1684 1.9261 1.9261 2.6367 2.6367 3.0572 3.0572 3.3353 3.3353 3.5615 3.5615 7.7259 7.7259 8.2153 8.2153 9.9594 9.9594 9.9744 9.9744 k = 0.0000 0.0000 0.2093 ( 5318 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.6017 -8.6017 -8.2176 -8.2176 0.2303 0.2303 1.8532 1.8532 2.6460 2.6460 3.0266 3.0266 3.3439 3.3439 3.5527 3.5527 7.7836 7.7836 8.2191 8.2191 9.9491 9.9491 9.9632 9.9632 k = 0.0000 0.0000 0.2224 ( 5318 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5888 -8.5888 -8.2331 -8.2331 0.2918 0.2918 1.7807 1.7807 2.6552 2.6552 2.9996 2.9996 3.3525 3.3525 3.5439 3.5439 7.8359 7.8359 8.2219 8.2219 9.9399 9.9399 9.9533 9.9533 k = 0.0000 0.0000 0.2355 ( 5312 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5765 -8.5765 -8.2477 -8.2477 0.3514 0.3514 1.7109 1.7109 2.6640 2.6640 2.9763 2.9763 3.3607 3.3607 3.5355 3.5355 7.8823 7.8823 8.2235 8.2235 9.9319 9.9319 9.9447 9.9447 k = 0.0000 0.0000 0.2485 ( 5312 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5652 -8.5652 -8.2609 -8.2609 0.4070 0.4070 1.6462 1.6462 2.6722 2.6722 2.9567 2.9567 3.3683 3.3683 3.5278 3.5278 7.9220 7.9220 8.2240 8.2240 9.9253 9.9253 9.9375 9.9375 k = 0.0000 0.0000 0.2616 ( 5294 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.5554 -8.5554 -8.2722 -8.2722 0.4559 0.4559 1.5898 1.5898 2.6793 2.6793 2.9410 2.9410 3.3750 3.3750 3.5210 3.5210 7.9542 7.9542 8.2236 8.2236 9.9202 9.9202 9.9319 9.9319 k = 0.0000 0.0000 0.2747 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9259 -38.9259 -38.6386 -38.6386 -38.6362 -38.6362 -8.5478 -8.5478 -8.2809 -8.2809 0.4948 0.4948 1.5454 1.5454 2.6849 2.6849 2.9294 2.9294 3.3803 3.3803 3.5156 3.5156 7.9782 7.9782 8.2227 8.2227 9.9164 9.9164 9.9279 9.9279 k = 0.0000 0.0000 0.2878 ( 5306 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5429 -8.5429 -8.2865 -8.2865 0.5201 0.5201 1.5166 1.5166 2.6885 2.6885 2.9223 2.9223 3.3837 3.3837 3.5121 3.5121 7.9930 7.9930 8.2218 8.2218 9.9141 9.9141 9.9254 9.9254 k = 0.0000 0.0000 0.3009 ( 5300 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5412 -8.5412 -8.2884 -8.2884 0.5289 0.5289 1.5066 1.5066 2.6897 2.6897 2.9198 2.9198 3.3849 3.3849 3.5109 3.5109 7.9981 7.9981 8.2214 8.2214 9.9134 9.9134 9.9246 9.9246 k = 0.0000 0.0000 0.3009 ( 5300 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5412 -8.5412 -8.2884 -8.2884 0.5289 0.5289 1.5066 1.5066 2.6897 2.6897 2.9198 2.9198 3.3849 3.3849 3.5109 3.5109 7.9981 7.9981 8.2214 8.2214 9.9134 9.9134 9.9246 9.9246 k = 0.0114 0.0066 0.3009 ( 5314 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5406 -8.5406 -8.2879 -8.2879 0.5289 0.5289 1.5064 1.5064 2.6870 2.6870 2.9175 2.9175 3.3818 3.3818 3.5081 3.5081 8.0009 8.0009 8.2278 8.2278 9.9125 9.9125 9.9247 9.9247 k = 0.0227 0.0131 0.3009 ( 5302 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5387 -8.5387 -8.2864 -8.2864 0.5289 0.5289 1.5056 1.5056 2.6790 2.6790 2.9105 2.9105 3.3725 3.3725 3.4995 3.4995 8.0093 8.0093 8.2470 8.2470 9.9054 9.9054 9.9304 9.9304 k = 0.0341 0.0197 0.3009 ( 5306 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5355 -8.5355 -8.2839 -8.2839 0.5288 0.5288 1.5043 1.5043 2.6657 2.6657 2.8988 2.8988 3.3576 3.3576 3.4857 3.4857 8.0226 8.0226 8.2782 8.2782 9.8916 9.8916 9.9430 9.9430 k = 0.0455 0.0262 0.3009 ( 5310 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.5312 -8.5312 -8.2805 -8.2805 0.5286 0.5286 1.5022 1.5022 2.6471 2.6471 2.8823 2.8823 3.3375 3.3375 3.4672 3.4672 8.0398 8.0398 8.3207 8.3207 9.8745 9.8745 9.9613 9.9613 k = 0.0568 0.0328 0.3009 ( 5316 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.5255 -8.5255 -8.2761 -8.2761 0.5282 0.5282 1.4993 1.4993 2.6234 2.6234 2.8611 2.8611 3.3129 3.3129 3.4446 3.4446 8.0595 8.0595 8.3734 8.3734 9.8565 9.8565 9.9846 9.9846 k = 0.0682 0.0394 0.3009 ( 5312 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.5187 -8.5187 -8.2708 -8.2708 0.5275 0.5275 1.4952 1.4952 2.5946 2.5946 2.8352 2.8352 3.2846 3.2846 3.4188 3.4188 8.0798 8.0798 8.4351 8.4351 9.8403 9.8403 10.0128 10.0128 k = 0.0795 0.0459 0.3009 ( 5310 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.5107 -8.5107 -8.2645 -8.2645 0.5263 0.5263 1.4897 1.4897 2.5611 2.5611 2.8049 2.8049 3.2533 3.2533 3.3908 3.3908 8.0984 8.0984 8.5043 8.5043 9.8282 9.8282 10.0455 10.0455 k = 0.0909 0.0525 0.3009 ( 5302 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.5016 -8.5016 -8.2573 -8.2573 0.5247 0.5247 1.4824 1.4824 2.5233 2.5233 2.7706 2.7706 3.2195 3.2195 3.3615 3.3615 8.1131 8.1131 8.5797 8.5797 9.8217 9.8217 10.0824 10.0824 k = 0.1023 0.0590 0.3009 ( 5294 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4913 -8.4913 -8.2493 -8.2493 0.5222 0.5222 1.4729 1.4729 2.4817 2.4817 2.7327 2.7327 3.1839 3.1839 3.3316 3.3316 8.1217 8.1217 8.6596 8.6596 9.8215 9.8215 10.1230 10.1230 k = 0.1136 0.0656 0.3009 ( 5302 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4799 -8.4799 -8.2405 -8.2405 0.5189 0.5189 1.4605 1.4605 2.4372 2.4372 2.6918 2.6918 3.1468 3.1468 3.3019 3.3019 8.1222 8.1222 8.7422 8.7422 9.8258 9.8258 10.1667 10.1667 k = 0.1250 0.0722 0.3009 ( 5300 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4674 -8.4674 -8.2308 -8.2308 0.5143 0.5143 1.4447 1.4447 2.3907 2.3907 2.6486 2.6486 3.1088 3.1088 3.2727 3.2727 8.1136 8.1136 8.8257 8.8257 9.8307 9.8307 10.2124 10.2124 k = 0.1364 0.0787 0.3009 ( 5292 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4539 -8.4539 -8.2204 -8.2204 0.5083 0.5083 1.4248 1.4248 2.3434 2.3434 2.6040 2.6040 3.0703 3.0703 3.2443 3.2443 8.0954 8.0954 8.9075 8.9075 9.8301 9.8301 10.2585 10.2585 k = 0.1477 0.0853 0.3009 ( 5288 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4395 -8.4395 -8.2093 -8.2093 0.5007 0.5007 1.4001 1.4001 2.2966 2.2966 2.5585 2.5585 3.0318 3.0318 3.2169 3.2169 8.0682 8.0682 8.9847 8.9847 9.8185 9.8185 10.3033 10.3033 k = 0.1591 0.0919 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4241 -8.4241 -8.1975 -8.1975 0.4911 0.4911 1.3700 1.3700 2.2514 2.2514 2.5132 2.5132 2.9935 2.9935 3.1904 3.1904 8.0326 8.0326 9.0539 9.0539 9.7958 9.7958 10.3482 10.3482 k = 0.1705 0.0984 0.3009 ( 5266 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4079 -8.4079 -8.1851 -8.1851 0.4793 0.4793 1.3340 1.3340 2.2088 2.2088 2.4688 2.4688 2.9558 2.9558 3.1647 3.1647 7.9899 7.9899 9.1104 9.1104 9.7673 9.7673 10.3956 10.3956 k = 0.1818 0.1050 0.3009 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6388 -38.6388 -38.6362 -38.6362 -8.3908 -8.3908 -8.1722 -8.1722 0.4650 0.4650 1.2920 1.2920 2.1697 2.1697 2.4260 2.4260 2.9190 2.9190 3.1400 3.1400 7.9414 7.9414 9.1495 9.1495 9.7407 9.7407 10.4443 10.4443 k = 0.1932 0.1115 0.3009 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6388 -38.6388 -38.6362 -38.6362 -8.3730 -8.3730 -8.1588 -8.1588 0.4480 0.4480 1.2441 1.2441 2.1345 2.1345 2.3857 2.3857 2.8832 2.8832 3.1161 3.1161 7.8884 7.8884 9.1670 9.1670 9.7219 9.7219 10.4905 10.4905 k = 0.2045 0.1181 0.3009 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6388 -38.6388 -38.6362 -38.6362 -8.3546 -8.3546 -8.1449 -8.1449 0.4279 0.4279 1.1906 1.1906 2.1031 2.1031 2.3486 2.3486 2.8485 2.8485 3.0930 3.0930 7.8319 7.8319 9.1621 9.1621 9.7125 9.7125 10.5252 10.5252 k = 0.2159 0.1247 0.3009 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6388 -38.6388 -38.6362 -38.6362 -8.3355 -8.3355 -8.1307 -8.1307 0.4048 0.4048 1.1325 1.1325 2.0754 2.0754 2.3151 2.3151 2.8152 2.8152 3.0707 3.0707 7.7730 7.7730 9.1380 9.1380 9.7098 9.7098 10.5234 10.5234 k = 0.2273 0.1312 0.3009 ( 5266 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6388 -38.6388 -38.6362 -38.6362 -8.3159 -8.3159 -8.1162 -8.1162 0.3784 0.3784 1.0704 1.0704 2.0511 2.0511 2.2857 2.2857 2.7832 2.7832 3.0492 3.0492 7.7126 7.7126 9.1000 9.1000 9.7086 9.7086 10.4783 10.4783 k = 0.2386 0.1378 0.3009 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6388 -38.6388 -38.6362 -38.6362 -8.2958 -8.2958 -8.1015 -8.1015 0.3487 0.3487 1.0054 1.0054 2.0296 2.0296 2.2605 2.2605 2.7527 2.7527 3.0287 3.0287 7.6514 7.6514 9.0535 9.0535 9.7046 9.7046 10.4137 10.4137 k = 0.2500 0.1443 0.3009 ( 5274 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.2754 -8.2754 -8.0867 -8.0867 0.3159 0.3159 0.9384 0.9384 2.0107 2.0107 2.2396 2.2396 2.7237 2.7237 3.0090 3.0090 7.5899 7.5899 9.0022 9.0022 9.6949 9.6949 10.3411 10.3411 k = 0.2614 0.1509 0.3009 ( 5270 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.2547 -8.2547 -8.0719 -8.0719 0.2801 0.2801 0.8705 0.8705 1.9942 1.9942 2.2225 2.2225 2.6963 2.6963 2.9904 2.9904 7.5288 7.5288 8.9489 8.9489 9.6783 9.6783 10.2645 10.2645 k = 0.2727 0.1575 0.3009 ( 5274 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.2338 -8.2338 -8.0570 -8.0570 0.2415 0.2415 0.8022 0.8022 1.9798 1.9798 2.2090 2.2090 2.6706 2.6706 2.9728 2.9728 7.4685 7.4685 8.8953 8.8953 9.6548 9.6548 10.1862 10.1862 k = 0.2841 0.1640 0.3009 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6390 -38.6390 -38.6362 -38.6362 -8.2129 -8.2129 -8.0423 -8.0423 0.2006 0.2006 0.7345 0.7345 1.9676 1.9676 2.1985 2.1985 2.6465 2.6465 2.9564 2.9564 7.4092 7.4092 8.8426 8.8426 9.6251 9.6251 10.1075 10.1075 k = 0.2955 0.1706 0.3009 ( 5274 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6390 -38.6390 -38.6362 -38.6362 -8.1919 -8.1919 -8.0278 -8.0278 0.1577 0.1577 0.6680 0.6680 1.9572 1.9572 2.1904 2.1904 2.6242 2.6242 2.9411 2.9411 7.3514 7.3514 8.7917 8.7917 9.5899 9.5899 10.0295 10.0295 k = 0.3068 0.1771 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6390 -38.6390 -38.6362 -38.6362 -8.1711 -8.1711 -8.0136 -8.0136 0.1133 0.1133 0.6030 0.6030 1.9488 1.9488 2.1845 2.1845 2.6036 2.6036 2.9271 2.9271 7.2954 7.2954 8.7430 8.7430 9.5503 9.5503 9.9531 9.9531 k = 0.3182 0.1837 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.1505 -8.1505 -7.9998 -7.9998 0.0679 0.0679 0.5402 0.5402 1.9419 1.9419 2.1801 2.1801 2.5847 2.5847 2.9143 2.9143 7.2413 7.2413 8.6969 8.6969 9.5072 9.5072 9.8790 9.8790 k = 0.3295 0.1903 0.3009 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.1302 -8.1302 -7.9865 -7.9865 0.0221 0.0221 0.4798 0.4798 1.9365 1.9365 2.1770 2.1770 2.5676 2.5676 2.9027 2.9027 7.1893 7.1893 8.6538 8.6538 9.4616 9.4616 9.8079 9.8079 k = 0.3409 0.1968 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.1103 -8.1103 -7.9738 -7.9738 -0.0236 -0.0236 0.4222 0.4222 1.9323 1.9323 2.1749 2.1749 2.5521 2.5521 2.8925 2.8925 7.1398 7.1398 8.6139 8.6139 9.4141 9.4141 9.7402 9.7402 k = 0.3523 0.2034 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.0910 -8.0910 -7.9617 -7.9617 -0.0686 -0.0686 0.3676 0.3676 1.9291 1.9291 2.1736 2.1736 2.5384 2.5384 2.8835 2.8835 7.0928 7.0928 8.5772 8.5772 9.3655 9.3655 9.6765 9.6765 k = 0.3636 0.2099 0.3009 ( 5262 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.0723 -8.0723 -7.9503 -7.9503 -0.1124 -0.1124 0.3163 0.3163 1.9267 1.9267 2.1729 2.1729 2.5262 2.5262 2.8756 2.8756 7.0485 7.0485 8.5439 8.5439 9.3166 9.3166 9.6170 9.6170 k = 0.3750 0.2165 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.0544 -8.0544 -7.9398 -7.9398 -0.1545 -0.1545 0.2684 0.2684 1.9248 1.9248 2.1727 2.1727 2.5155 2.5155 2.8690 2.8690 7.0071 7.0071 8.5140 8.5140 9.2680 9.2680 9.5620 9.5620 k = 0.3864 0.2231 0.3009 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.0374 -8.0374 -7.9301 -7.9301 -0.1945 -0.1945 0.2241 0.2241 1.9232 1.9232 2.1728 2.1728 2.5063 2.5063 2.8634 2.8634 6.9687 6.9687 8.4875 8.4875 9.2204 9.2204 9.5118 9.5118 k = 0.3977 0.2296 0.3009 ( 5262 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -8.0214 -8.0214 -7.9214 -7.9214 -0.2319 -0.2319 0.1836 0.1836 1.9220 1.9220 2.1733 2.1733 2.4984 2.4984 2.8587 2.8587 6.9336 6.9336 8.4644 8.4644 9.1745 9.1745 9.4663 9.4663 k = 0.4091 0.2362 0.3009 ( 5270 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6363 -38.6363 -8.0065 -8.0065 -7.9137 -7.9137 -0.2663 -0.2663 0.1470 0.1470 1.9208 1.9208 2.1739 2.1739 2.4918 2.4918 2.8549 2.8549 6.9017 6.9017 8.4446 8.4446 9.1309 9.1309 9.4257 9.4257 k = 0.4205 0.2427 0.3009 ( 5258 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -7.9928 -7.9928 -7.9070 -7.9070 -0.2974 -0.2974 0.1145 0.1145 1.9198 1.9198 2.1747 2.1747 2.4862 2.4862 2.8519 2.8519 6.8732 6.8732 8.4279 8.4279 9.0905 9.0905 9.3900 9.3900 k = 0.4318 0.2493 0.3009 ( 5262 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -7.9805 -7.9805 -7.9013 -7.9013 -0.3250 -0.3250 0.0860 0.0860 1.9189 1.9189 2.1755 2.1755 2.4817 2.4817 2.8496 2.8496 6.8483 6.8483 8.4141 8.4141 9.0538 9.0538 9.3590 9.3590 k = 0.4432 0.2559 0.3009 ( 5260 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -7.9697 -7.9697 -7.8967 -7.8967 -0.3487 -0.3487 0.0617 0.0617 1.9180 1.9180 2.1764 2.1764 2.4781 2.4781 2.8478 2.8478 6.8271 6.8271 8.4030 8.4030 9.0214 9.0214 9.3329 9.3329 k = 0.4545 0.2624 0.3009 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6362 -38.6362 -7.9605 -7.9605 -7.8931 -7.8931 -0.3684 -0.3684 0.0418 0.0418 1.9172 1.9172 2.1771 2.1771 2.4754 2.4754 2.8464 2.8464 6.8095 6.8095 8.3945 8.3945 8.9939 8.9939 9.3115 9.3115 k = 0.4659 0.2690 0.3009 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6363 -38.6363 -7.9532 -7.9532 -7.8905 -7.8905 -0.3839 -0.3839 0.0262 0.0262 1.9166 1.9166 2.1778 2.1778 2.4733 2.4733 2.8455 2.8455 6.7958 6.7958 8.3882 8.3882 8.9720 8.9720 9.2949 9.2949 k = 0.4773 0.2756 0.3009 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9477 -7.9477 -7.8887 -7.8887 -0.3951 -0.3951 0.0150 0.0150 1.9161 1.9161 2.1782 2.1782 2.4719 2.4719 2.8448 2.8448 6.7860 6.7860 8.3839 8.3839 8.9559 8.9559 9.2831 9.2831 k = 0.4886 0.2821 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9444 -7.9444 -7.8877 -7.8877 -0.4018 -0.4018 0.0083 0.0083 1.9158 1.9158 2.1785 2.1785 2.4711 2.4711 2.8445 2.8445 6.7800 6.7800 8.3814 8.3814 8.9461 8.9461 9.2760 9.2760 k = 0.5000 0.2887 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9433 -7.9433 -7.8873 -7.8873 -0.4041 -0.4041 0.0061 0.0061 1.9157 1.9157 2.1786 2.1786 2.4708 2.4708 2.8444 2.8444 6.7781 6.7781 8.3806 8.3806 8.9428 8.9428 9.2736 9.2736 k = 0.5000 0.2887 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9433 -7.9433 -7.8873 -7.8873 -0.4041 -0.4041 0.0061 0.0061 1.9157 1.9157 2.1786 2.1786 2.4708 2.4708 2.8444 2.8444 6.7781 6.7781 8.3806 8.3806 8.9428 8.9428 9.2736 9.2736 k = 0.4936 0.2998 0.3009 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9430 -7.9430 -7.8871 -7.8871 -0.4030 -0.4030 0.0069 0.0069 1.9119 1.9119 2.1727 2.1727 2.4729 2.4729 2.8443 2.8443 6.7832 6.7832 8.3839 8.3839 8.9462 8.9462 9.2782 9.2782 k = 0.4872 0.3109 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9423 -7.9423 -7.8866 -7.8866 -0.3999 -0.3999 0.0096 0.0096 1.9003 1.9003 2.1556 2.1556 2.4787 2.4787 2.8441 2.8441 6.7983 6.7983 8.3938 8.3938 8.9562 8.9562 9.2919 9.2919 k = 0.4808 0.3220 0.3009 ( 5266 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9411 -7.9411 -7.8857 -7.8857 -0.3948 -0.3948 0.0139 0.0139 1.8809 1.8809 2.1288 2.1288 2.4870 2.4870 2.8437 2.8437 6.8231 6.8231 8.4098 8.4098 8.9728 8.9728 9.3150 9.3150 k = 0.4744 0.3331 0.3009 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9394 -7.9394 -7.8845 -7.8845 -0.3876 -0.3876 0.0200 0.0200 1.8537 1.8537 2.0943 2.0943 2.4968 2.4968 2.8433 2.8433 6.8569 6.8569 8.4312 8.4312 8.9958 8.9958 9.3478 9.3478 k = 0.4679 0.3442 0.3009 ( 5252 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9372 -7.9372 -7.8830 -7.8830 -0.3783 -0.3783 0.0278 0.0278 1.8189 1.8189 2.0537 2.0537 2.5072 2.5072 2.8428 2.8428 6.8990 6.8990 8.4569 8.4569 9.0250 9.0250 9.3908 9.3908 k = 0.4615 0.3553 0.3009 ( 5252 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9346 -7.9346 -7.8811 -7.8811 -0.3671 -0.3671 0.0372 0.0372 1.7766 1.7766 2.0083 2.0083 2.5177 2.5177 2.8424 2.8424 6.9482 6.9482 8.4859 8.4859 9.0599 9.0599 9.4443 9.4443 k = 0.4551 0.3664 0.3009 ( 5260 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.9315 -7.9315 -7.8790 -7.8790 -0.3539 -0.3539 0.0483 0.0483 1.7274 1.7274 1.9593 1.9593 2.5281 2.5281 2.8421 2.8421 7.0036 7.0036 8.5171 8.5171 9.0996 9.0996 9.5085 9.5085 k = 0.4487 0.3775 0.3009 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9281 -7.9281 -7.8766 -7.8766 -0.3387 -0.3387 0.0609 0.0609 1.6718 1.6718 1.9075 1.9075 2.5382 2.5382 2.8420 2.8420 7.0640 7.0640 8.5496 8.5496 9.1430 9.1430 9.5837 9.5837 k = 0.4423 0.3886 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9243 -7.9243 -7.8741 -7.8741 -0.3216 -0.3216 0.0750 0.0750 1.6108 1.6108 1.8534 1.8534 2.5481 2.5481 2.8421 2.8421 7.1282 7.1282 8.5825 8.5825 9.1879 9.1879 9.6695 9.6695 k = 0.4359 0.3997 0.3009 ( 5280 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9202 -7.9202 -7.8713 -7.8713 -0.3027 -0.3027 0.0904 0.0904 1.5454 1.5454 1.7974 1.7974 2.5577 2.5577 2.8425 2.8425 7.1950 7.1950 8.6151 8.6151 9.2313 9.2313 9.7655 9.7655 k = 0.4295 0.4108 0.3009 ( 5284 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9158 -7.9158 -7.8685 -7.8685 -0.2820 -0.2820 0.1072 0.1072 1.4766 1.4766 1.7399 1.7399 2.5672 2.5672 2.8432 2.8432 7.2635 7.2635 8.6470 8.6470 9.2693 9.2693 9.8710 9.8710 k = 0.4231 0.4219 0.3009 ( 5288 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9111 -7.9111 -7.8655 -7.8655 -0.2595 -0.2595 0.1251 0.1251 1.4054 1.4054 1.6813 1.6813 2.5764 2.5764 2.8442 2.8442 7.3327 7.3327 8.6778 8.6778 9.2969 9.2969 9.9846 9.9846 k = 0.4167 0.4330 0.3009 ( 5288 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9062 -7.9062 -7.8625 -7.8625 -0.2354 -0.2354 0.1439 0.1439 1.3329 1.3329 1.6221 1.6221 2.5855 2.5855 2.8455 2.8455 7.4016 7.4016 8.7073 8.7073 9.3095 9.3095 10.1049 10.1049 k = 0.4103 0.4441 0.3009 ( 5286 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9011 -7.9011 -7.8596 -7.8596 -0.2098 -0.2098 0.1635 0.1635 1.2600 1.2600 1.5627 1.5627 2.5944 2.5944 2.8471 2.8471 7.4697 7.4697 8.7352 8.7352 9.3044 9.3044 10.2295 10.2295 k = 0.4038 0.4552 0.3009 ( 5280 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8959 -7.8959 -7.8567 -7.8567 -0.1828 -0.1828 0.1836 0.1836 1.1876 1.1876 1.5038 1.5038 2.6030 2.6030 2.8488 2.8488 7.5362 7.5362 8.7615 8.7615 9.2822 9.2822 10.3550 10.3550 k = 0.3974 0.4663 0.3009 ( 5288 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8907 -7.8907 -7.8539 -7.8539 -0.1546 -0.1546 0.2038 0.2038 1.1165 1.1165 1.4459 1.4459 2.6114 2.6114 2.8507 2.8507 7.6005 7.6005 8.7859 8.7859 9.2460 9.2460 10.4754 10.4754 k = 0.3910 0.4774 0.3009 ( 5296 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8854 -7.8854 -7.8513 -7.8513 -0.1254 -0.1254 0.2237 0.2237 1.0478 1.0478 1.3896 1.3896 2.6194 2.6194 2.8527 2.8527 7.6621 7.6621 8.8081 8.8081 9.2001 9.2001 10.5783 10.5783 k = 0.3846 0.4885 0.3009 ( 5300 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8802 -7.8802 -7.8490 -7.8490 -0.0955 -0.0955 0.2428 0.2428 0.9824 0.9824 1.3356 1.3356 2.6271 2.6271 2.8546 2.8546 7.7205 7.7205 8.8280 8.8280 9.1490 9.1490 10.6424 10.6424 k = 0.3782 0.4996 0.3009 ( 5288 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8752 -7.8752 -7.8470 -7.8470 -0.0653 -0.0653 0.2604 0.2604 0.9213 0.9213 1.2848 1.2848 2.6342 2.6342 2.8566 2.8566 7.7750 7.7750 8.8451 8.8451 9.0963 9.0963 10.6558 10.6558 k = 0.3718 0.5107 0.3009 ( 5284 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8702 -7.8702 -7.8454 -7.8454 -0.0352 -0.0352 0.2756 0.2756 0.8656 0.8656 1.2380 1.2380 2.6407 2.6407 2.8584 2.8584 7.8249 7.8249 8.8591 8.8591 9.0452 9.0452 10.6358 10.6358 k = 0.3654 0.5218 0.3009 ( 5288 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8655 -7.8655 -7.8443 -7.8443 -0.0060 -0.0060 0.2877 0.2877 0.8166 0.8166 1.1961 1.1961 2.6464 2.6464 2.8600 2.8600 7.8693 7.8693 8.8695 8.8695 8.9986 8.9986 10.6040 10.6040 k = 0.3590 0.5329 0.3009 ( 5286 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8611 -7.8611 -7.8436 -7.8436 0.0213 0.0213 0.2960 0.2960 0.7756 0.7756 1.1599 1.1599 2.6514 2.6514 2.8615 2.8615 7.9073 7.9073 8.8755 8.8755 8.9593 8.9593 10.5718 10.5718 k = 0.3526 0.5440 0.3009 ( 5282 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8570 -7.8570 -7.8436 -7.8436 0.0456 0.0456 0.3002 0.3002 0.7435 0.7435 1.1306 1.1306 2.6554 2.6554 2.8627 2.8627 7.9379 7.9379 8.8762 8.8762 8.9305 8.9305 10.5443 10.5443 k = 0.3462 0.5551 0.3009 ( 5270 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8533 -7.8533 -7.8441 -7.8441 0.0650 0.0650 0.3011 0.3011 0.7209 0.7209 1.1090 1.1090 2.6584 2.6584 2.8636 2.8636 7.9600 7.9600 8.8716 8.8716 8.9137 8.9137 10.5239 10.5239 k = 0.3397 0.5662 0.3009 ( 5258 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8501 -7.8501 -7.8454 -7.8454 0.0776 0.0776 0.3002 0.3002 0.7078 0.7078 1.0959 1.0959 2.6603 2.6603 2.8641 2.8641 7.9732 7.9732 8.8662 8.8662 8.9058 8.9058 10.5115 10.5115 k = 0.3333 0.5774 0.3009 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8475 -7.8475 -7.8474 -7.8474 0.0820 0.0820 0.2996 0.2996 0.7035 0.7035 1.0915 1.0915 2.6609 2.6609 2.8643 2.8643 7.9774 7.9774 8.8645 8.8645 8.9029 8.9029 10.5074 10.5074 k = 0.3333 0.5774 0.3009 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8475 -7.8475 -7.8474 -7.8474 0.0820 0.0820 0.2996 0.2996 0.7035 0.7035 1.0915 1.0915 2.6609 2.6609 2.8643 2.8643 7.9774 7.9774 8.8645 8.8645 8.9029 8.9029 10.5074 10.5074 k = 0.3268 0.5660 0.3009 ( 5260 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8503 -7.8503 -7.8453 -7.8453 0.0777 0.0777 0.3003 0.3003 0.7077 0.7077 1.0959 1.0959 2.6603 2.6603 2.8641 2.8641 7.9734 7.9734 8.8642 8.8642 8.9079 8.9079 10.5116 10.5116 k = 0.3203 0.5547 0.3009 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8541 -7.8541 -7.8438 -7.8438 0.0662 0.0662 0.3021 0.3021 0.7202 0.7202 1.1089 1.1089 2.6582 2.6582 2.8635 2.8635 7.9623 7.9623 8.8600 8.8600 8.9254 8.9254 10.5236 10.5236 k = 0.3137 0.5434 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8588 -7.8588 -7.8430 -7.8430 0.0500 0.0500 0.3038 0.3038 0.7405 0.7405 1.1294 1.1294 2.6547 2.6547 2.8624 2.8624 7.9458 7.9458 8.8520 8.8520 8.9546 8.9546 10.5428 10.5428 k = 0.3072 0.5321 0.3009 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8645 -7.8645 -7.8429 -7.8429 0.0317 0.0317 0.3047 0.3047 0.7680 0.7680 1.1564 1.1564 2.6497 2.6497 2.8608 2.8608 7.9258 7.9258 8.8425 8.8425 8.9922 8.9922 10.5681 10.5681 k = 0.3007 0.5207 0.3009 ( 5270 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8711 -7.8711 -7.8436 -7.8436 0.0131 0.0131 0.3046 0.3046 0.8019 0.8019 1.1889 1.1889 2.6434 2.6434 2.8587 2.8587 7.9037 7.9037 8.8329 8.8329 9.0361 9.0361 10.5983 10.5983 k = 0.2941 0.5094 0.3009 ( 5262 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8788 -7.8788 -7.8452 -7.8452 -0.0044 -0.0044 0.3041 0.3041 0.8412 0.8412 1.2260 1.2260 2.6358 2.6358 2.8562 2.8562 7.8810 7.8810 8.8239 8.8239 9.0846 9.0846 10.6319 10.6319 k = 0.2876 0.4981 0.3009 ( 5262 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8876 -7.8876 -7.8475 -7.8475 -0.0199 -0.0199 0.3038 0.3038 0.8851 0.8851 1.2668 1.2668 2.6270 2.6270 2.8531 2.8531 7.8584 7.8584 8.8165 8.8165 9.1366 9.1366 10.6671 10.6671 k = 0.2810 0.4868 0.3009 ( 5262 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8974 -7.8974 -7.8508 -7.8508 -0.0326 -0.0326 0.3046 0.3046 0.9325 0.9325 1.3105 1.3105 2.6171 2.6171 2.8495 2.8495 7.8369 7.8369 8.8110 8.8110 9.1909 9.1909 10.7015 10.7015 k = 0.2745 0.4755 0.3009 ( 5264 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9082 -7.9082 -7.8549 -7.8549 -0.0423 -0.0423 0.3072 0.3072 0.9828 0.9828 1.3567 1.3567 2.6064 2.6064 2.8455 2.8455 7.8169 7.8169 8.8080 8.8080 9.2470 9.2470 10.7320 10.7320 k = 0.2680 0.4641 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9200 -7.9200 -7.8600 -7.8600 -0.0485 -0.0485 0.3121 0.3121 1.0353 1.0353 1.4048 1.4048 2.5949 2.5949 2.8411 2.8411 7.7989 7.7989 8.8079 8.8079 9.3040 9.3040 10.7545 10.7545 k = 0.2614 0.4528 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9329 -7.9329 -7.8659 -7.8659 -0.0512 -0.0512 0.3197 0.3197 1.0894 1.0894 1.4542 1.4542 2.5830 2.5830 2.8364 2.8364 7.7830 7.7830 8.8108 8.8108 9.3616 9.3616 10.7650 10.7650 k = 0.2549 0.4415 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9468 -7.9468 -7.8727 -7.8727 -0.0502 -0.0502 0.3305 0.3305 1.1446 1.1446 1.5048 1.5048 2.5710 2.5710 2.8314 2.8314 7.7694 7.7694 8.8171 8.8171 9.4192 9.4192 10.7610 10.7610 k = 0.2484 0.4302 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9616 -7.9616 -7.8804 -7.8804 -0.0457 -0.0457 0.3447 0.3447 1.2005 1.2005 1.5559 1.5559 2.5591 2.5591 2.8264 2.8264 7.7583 7.7583 8.8267 8.8267 9.4765 9.4765 10.7433 10.7433 k = 0.2418 0.4189 0.3009 ( 5280 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9773 -7.9773 -7.8889 -7.8889 -0.0375 -0.0375 0.3624 0.3624 1.2566 1.2566 1.6074 1.6074 2.5476 2.5476 2.8214 2.8214 7.7497 7.7497 8.8399 8.8399 9.5331 9.5331 10.7155 10.7155 k = 0.2353 0.4075 0.3009 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6363 -38.6363 -7.9939 -7.9939 -7.8983 -7.8983 -0.0259 -0.0259 0.3837 0.3837 1.3127 1.3127 1.6588 1.6588 2.5370 2.5370 2.8168 2.8168 7.7437 7.7437 8.8565 8.8565 9.5888 9.5888 10.6812 10.6812 k = 0.2288 0.3962 0.3009 ( 5286 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6363 -38.6363 -8.0113 -8.0113 -7.9084 -7.9084 -0.0110 -0.0110 0.4088 0.4088 1.3683 1.3683 1.7098 1.7098 2.5277 2.5277 2.8126 2.8126 7.7401 7.7401 8.8766 8.8766 9.6435 9.6435 10.6422 10.6422 k = 0.2222 0.3849 0.3009 ( 5282 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6363 -38.6363 -8.0294 -8.0294 -7.9193 -7.9193 0.0070 0.0070 0.4376 0.4376 1.4231 1.4231 1.7600 1.7600 2.5200 2.5200 2.8092 2.8092 7.7390 7.7390 8.9000 8.9000 9.6969 9.6969 10.5981 10.5981 k = 0.2157 0.3736 0.3009 ( 5282 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6363 -38.6363 -8.0482 -8.0482 -7.9309 -7.9309 0.0279 0.0279 0.4700 0.4700 1.4769 1.4769 1.8091 1.8091 2.5145 2.5145 2.8069 2.8069 7.7403 7.7403 8.9266 8.9266 9.7489 9.7489 10.5473 10.5473 k = 0.2092 0.3623 0.3009 ( 5274 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6363 -38.6363 -8.0676 -8.0676 -7.9431 -7.9431 0.0514 0.0514 0.5060 0.5060 1.5292 1.5292 1.8566 1.8566 2.5117 2.5117 2.8060 2.8060 7.7441 7.7441 8.9563 8.9563 9.7993 9.7993 10.4894 10.4894 k = 0.2026 0.3509 0.3009 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6363 -38.6363 -8.0876 -8.0876 -7.9560 -7.9560 0.0771 0.0771 0.5454 0.5454 1.5798 1.5798 1.9020 1.9020 2.5120 2.5120 2.8067 2.8067 7.7503 7.7503 8.9890 8.9890 9.8479 9.8479 10.4260 10.4260 k = 0.1961 0.3396 0.3009 ( 5290 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6391 -38.6391 -38.6363 -38.6363 -8.1079 -8.1079 -7.9693 -7.9693 0.1048 0.1048 0.5882 0.5882 1.6286 1.6286 1.9452 1.9452 2.5159 2.5159 2.8094 2.8094 7.7589 7.7589 9.0243 9.0243 9.8944 9.8944 10.3596 10.3596 k = 0.1895 0.3283 0.3009 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.1286 -8.1286 -7.9832 -7.9832 0.1340 0.1340 0.6339 0.6339 1.6754 1.6754 1.9856 1.9856 2.5238 2.5238 2.8144 2.8144 7.7699 7.7699 9.0621 9.0621 9.9378 9.9378 10.2926 10.2926 k = 0.1830 0.3170 0.3009 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.1496 -8.1496 -7.9974 -7.9974 0.1643 0.1643 0.6825 0.6825 1.7201 1.7201 2.0231 2.0231 2.5361 2.5361 2.8220 2.8220 7.7831 7.7831 9.1022 9.1022 9.9762 9.9762 10.2280 10.2280 k = 0.1765 0.3057 0.3009 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6390 -38.6390 -38.6362 -38.6362 -8.1708 -8.1708 -8.0119 -8.0119 0.1953 0.1953 0.7336 0.7336 1.7628 1.7628 2.0577 2.0577 2.5529 2.5529 2.8323 2.8323 7.7987 7.7987 9.1443 9.1443 10.0036 10.0036 10.1718 10.1718 k = 0.1699 0.2943 0.3009 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6390 -38.6390 -38.6362 -38.6362 -8.1921 -8.1921 -8.0267 -8.0267 0.2266 0.2266 0.7867 0.7867 1.8036 1.8036 2.0894 2.0894 2.5742 2.5742 2.8454 2.8454 7.8165 7.8165 9.1881 9.1881 10.0034 10.0034 10.1405 10.1405 k = 0.1634 0.2830 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.2134 -8.2134 -8.0417 -8.0417 0.2576 0.2576 0.8416 0.8416 1.8428 1.8428 2.1189 2.1189 2.5996 2.5996 2.8614 2.8614 7.8365 7.8365 9.2329 9.2329 9.9654 9.9654 10.1439 10.1439 k = 0.1569 0.2717 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.2346 -8.2346 -8.0568 -8.0568 0.2881 0.2881 0.8976 0.8976 1.8807 1.8807 2.1466 2.1466 2.6287 2.6287 2.8801 2.8801 7.8585 7.8585 9.2781 9.2781 9.9099 9.9099 10.1605 10.1605 k = 0.1503 0.2604 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.2556 -8.2556 -8.0720 -8.0720 0.3174 0.3174 0.9544 0.9544 1.9175 1.9175 2.1736 2.1736 2.6610 2.6610 2.9014 2.9014 7.8824 7.8824 9.3222 9.3222 9.8516 9.8516 10.1753 10.1753 k = 0.1438 0.2491 0.3009 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.2764 -8.2764 -8.0870 -8.0870 0.3454 0.3454 1.0111 1.0111 1.9537 1.9537 2.2007 2.2007 2.6957 2.6957 2.9250 2.9250 7.9080 7.9080 9.3623 9.3623 9.7972 9.7972 10.1822 10.1822 k = 0.1373 0.2377 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6389 -38.6389 -38.6362 -38.6362 -8.2969 -8.2969 -8.1020 -8.1020 0.3716 0.3716 1.0671 1.0671 1.9895 1.9895 2.2290 2.2290 2.7322 2.7322 2.9507 2.9507 7.9349 7.9349 9.3926 9.3926 9.7534 9.7534 10.1782 10.1782 k = 0.1307 0.2264 0.3009 ( 5284 PWs) bands (ev): -71.9856 -71.9856 -38.9261 -38.9261 -38.6388 -38.6388 -38.6362 -38.6362 -8.3170 -8.3170 -8.1168 -8.1168 0.3958 0.3958 1.1217 1.1217 2.0254 2.0254 2.2594 2.2594 2.7700 2.7700 2.9781 2.9781 7.9629 7.9629 9.4035 9.4035 9.7303 9.7303 10.1626 10.1626 k = 0.1242 0.2151 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6388 -38.6388 -38.6362 -38.6362 -8.3366 -8.3366 -8.1314 -8.1314 0.4178 0.4178 1.1741 1.1741 2.0616 2.0616 2.2925 2.2925 2.8087 2.8087 3.0069 3.0069 7.9914 7.9914 9.3868 9.3868 9.7359 9.7359 10.1363 10.1363 k = 0.1176 0.2038 0.3009 ( 5280 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6388 -38.6388 -38.6362 -38.6362 -8.3556 -8.3556 -8.1456 -8.1456 0.4375 0.4375 1.2235 1.2235 2.0986 2.0986 2.3287 2.3287 2.8478 2.8478 3.0368 3.0368 8.0199 8.0199 9.3449 9.3449 9.7674 9.7674 10.1021 10.1021 k = 0.1111 0.1925 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6388 -38.6388 -38.6362 -38.6362 -8.3741 -8.3741 -8.1595 -8.1595 0.4549 0.4549 1.2691 1.2691 2.1369 2.1369 2.3682 2.3682 2.8871 2.8871 3.0677 3.0677 8.0476 8.0476 9.2868 9.2868 9.8152 9.8152 10.0633 10.0633 k = 0.1046 0.1811 0.3009 ( 5284 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6388 -38.6388 -38.6362 -38.6362 -8.3918 -8.3918 -8.1729 -8.1729 0.4699 0.4699 1.3105 1.3105 2.1767 2.1767 2.4106 2.4106 2.9262 2.9262 3.0992 3.0992 8.0736 8.0736 9.2190 9.2190 9.8702 9.8702 10.0247 10.0247 k = 0.0980 0.1698 0.3009 ( 5280 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4087 -8.4087 -8.1858 -8.1858 0.4827 0.4827 1.3471 1.3471 2.2183 2.2183 2.4555 2.4555 2.9650 2.9650 3.1313 3.1313 8.0971 8.0971 9.1451 9.1451 9.9162 9.9162 10.0006 10.0006 k = 0.0915 0.1585 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4249 -8.4249 -8.1981 -8.1981 0.4934 0.4934 1.3790 1.3790 2.2617 2.2617 2.5022 2.5022 3.0035 3.0035 3.1637 3.1637 8.1170 8.1170 9.0671 9.0671 9.9126 9.9126 10.0306 10.0306 k = 0.0850 0.1472 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4402 -8.4402 -8.2098 -8.2098 0.5022 0.5022 1.4060 1.4060 2.3064 2.3064 2.5499 2.5499 3.0415 3.0415 3.1965 3.1965 8.1323 8.1323 8.9861 8.9861 9.8837 9.8837 10.0875 10.0875 k = 0.0784 0.1358 0.3009 ( 5276 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4545 -8.4545 -8.2209 -8.2209 0.5093 0.5093 1.4286 1.4286 2.3520 2.3520 2.5975 2.5975 3.0791 3.0791 3.2295 3.2295 8.1420 8.1420 8.9033 8.9033 9.8555 9.8555 10.1378 10.1378 k = 0.0719 0.1245 0.3009 ( 5296 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4679 -8.4679 -8.2312 -8.2312 0.5149 0.5149 1.4470 1.4470 2.3977 2.3977 2.6442 2.6442 3.1160 3.1160 3.2626 3.2626 8.1456 8.1456 8.8196 8.8196 9.8334 9.8334 10.1617 10.1617 k = 0.0654 0.1132 0.3009 ( 5296 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4803 -8.4803 -8.2408 -8.2408 0.5192 0.5192 1.4619 1.4619 2.4425 2.4425 2.6891 2.6891 3.1523 3.1523 3.2955 3.2955 8.1427 8.1427 8.7363 8.7363 9.8191 9.8191 10.1516 10.1516 k = 0.0588 0.1019 0.3009 ( 5296 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.4916 -8.4916 -8.2496 -8.2496 0.5224 0.5224 1.4737 1.4737 2.4855 2.4855 2.7313 2.7313 3.1878 3.1878 3.3281 3.3281 8.1338 8.1338 8.6546 8.6546 9.8130 9.8130 10.1210 10.1210 k = 0.0523 0.0906 0.3009 ( 5306 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.5019 -8.5019 -8.2576 -8.2576 0.5248 0.5248 1.4829 1.4829 2.5258 2.5258 2.7702 2.7702 3.2222 3.2222 3.3598 3.3598 8.1196 8.1196 8.5759 8.5759 9.8149 9.8149 10.0840 10.0840 k = 0.0458 0.0792 0.3009 ( 5308 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.5110 -8.5110 -8.2647 -8.2647 0.5264 0.5264 1.4900 1.4900 2.5628 2.5628 2.8050 2.8050 3.2550 3.2550 3.3903 3.3903 8.1013 8.1013 8.5016 8.5016 9.8237 9.8237 10.0474 10.0474 k = 0.0392 0.0679 0.3009 ( 5308 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.5189 -8.5189 -8.2709 -8.2709 0.5275 0.5275 1.4953 1.4953 2.5956 2.5956 2.8355 2.8355 3.2857 3.2857 3.4189 3.4189 8.0808 8.0808 8.4332 8.4332 9.8379 9.8379 10.0141 10.0141 k = 0.0327 0.0566 0.3009 ( 5308 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.5257 -8.5257 -8.2762 -8.2762 0.5282 0.5282 1.4993 1.4993 2.6240 2.6240 2.8614 2.8614 3.3136 3.3136 3.4449 3.4449 8.0596 8.0596 8.3722 8.3722 9.8555 9.8555 9.9852 9.9852 k = 0.0261 0.0453 0.3009 ( 5308 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6387 -38.6387 -38.6362 -38.6362 -8.5312 -8.5312 -8.2806 -8.2806 0.5286 0.5286 1.5022 1.5022 2.6475 2.6475 2.8825 2.8825 3.3379 3.3379 3.4674 3.4674 8.0397 8.0397 8.3200 8.3200 9.8742 9.8742 9.9615 9.9615 k = 0.0196 0.0340 0.3009 ( 5300 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5356 -8.5356 -8.2840 -8.2840 0.5288 0.5288 1.5043 1.5043 2.6659 2.6659 2.8989 2.8989 3.3578 3.3578 3.4859 3.4859 8.0224 8.0224 8.2778 8.2778 9.8916 9.8916 9.9431 9.9431 k = 0.0131 0.0226 0.3009 ( 5296 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5387 -8.5387 -8.2864 -8.2864 0.5289 0.5289 1.5056 1.5056 2.6791 2.6791 2.9106 2.9106 3.3726 3.3726 3.4996 3.4996 8.0092 8.0092 8.2468 8.2468 9.9054 9.9054 9.9304 9.9304 k = 0.0065 0.0113 0.3009 ( 5308 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5406 -8.5406 -8.2879 -8.2879 0.5289 0.5289 1.5064 1.5064 2.6871 2.6871 2.9175 2.9175 3.3818 3.3818 3.5081 3.5081 8.0009 8.0009 8.2278 8.2278 9.9125 9.9125 9.9247 9.9247 k = 0.0000 0.0000 0.3009 ( 5300 PWs) bands (ev): -71.9856 -71.9856 -38.9260 -38.9260 -38.6386 -38.6386 -38.6362 -38.6362 -8.5412 -8.5412 -8.2884 -8.2884 0.5289 0.5289 1.5066 1.5066 2.6897 2.6897 2.9198 2.9198 3.3849 3.3849 3.5109 3.5109 7.9981 7.9981 8.2214 8.2214 9.9134 9.9134 9.9246 9.9246 k = 0.5000 0.2887 0.3009 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9433 -7.9433 -7.8873 -7.8873 -0.4041 -0.4041 0.0061 0.0061 1.9157 1.9157 2.1786 2.1786 2.4708 2.4708 2.8444 2.8444 6.7781 6.7781 8.3806 8.3806 8.9428 8.9428 9.2736 9.2736 k = 0.5000 0.2887 0.2878 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9441 -7.9441 -7.8866 -7.8866 -0.4039 -0.4039 0.0078 0.0078 1.9115 1.9115 2.1802 2.1802 2.4679 2.4679 2.8467 2.8467 6.7769 6.7769 8.3817 8.3817 8.9453 8.9453 9.2791 9.2791 k = 0.5000 0.2887 0.2747 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9462 -7.9462 -7.8844 -7.8844 -0.4035 -0.4035 0.0131 0.0131 1.8991 1.8991 2.1845 2.1845 2.4597 2.4597 2.8535 2.8535 6.7735 6.7735 8.3845 8.3845 8.9539 8.9539 9.2947 9.2947 k = 0.5000 0.2887 0.2616 ( 5262 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9495 -7.9495 -7.8811 -7.8811 -0.4027 -0.4027 0.0216 0.0216 1.8797 1.8797 2.1902 2.1902 2.4474 2.4474 2.8637 2.8637 6.7686 6.7686 8.3868 8.3868 8.9716 8.9716 9.3184 9.3184 k = 0.5000 0.2887 0.2485 ( 5254 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9536 -7.9536 -7.8771 -7.8771 -0.4014 -0.4014 0.0334 0.0334 1.8547 1.8547 2.1958 2.1958 2.4325 2.4325 2.8761 2.8761 6.7631 6.7631 8.3866 8.3866 9.0015 9.0015 9.3475 9.3475 k = 0.5000 0.2887 0.2355 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9582 -7.9582 -7.8726 -7.8726 -0.3996 -0.3996 0.0480 0.0480 1.8253 1.8253 2.1998 2.1998 2.4166 2.4166 2.8895 2.8895 6.7578 6.7578 8.3822 8.3822 9.0451 9.0451 9.3799 9.3799 k = 0.5000 0.2887 0.2224 ( 5270 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9630 -7.9630 -7.8678 -7.8678 -0.3972 -0.3972 0.0652 0.0652 1.7925 1.7925 2.2012 2.2012 2.4011 2.4011 2.9030 2.9030 6.7540 6.7540 8.3734 8.3734 9.1012 9.1012 9.4146 9.4146 k = 0.5000 0.2887 0.2093 ( 5260 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9680 -7.9680 -7.8629 -7.8629 -0.3941 -0.3941 0.0847 0.0847 1.7573 1.7573 2.1992 2.1992 2.3868 2.3868 2.9159 2.9159 6.7524 6.7524 8.3612 8.3612 9.1656 9.1656 9.4523 9.4523 k = 0.5000 0.2887 0.1962 ( 5266 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9730 -7.9730 -7.8579 -7.8579 -0.3902 -0.3902 0.1061 0.1061 1.7203 1.7203 2.1937 2.1937 2.3741 2.3741 2.9279 2.9279 6.7536 6.7536 8.3470 8.3470 9.2297 9.2297 9.4976 9.4976 k = 0.5000 0.2887 0.1831 ( 5262 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9779 -7.9779 -7.8531 -7.8531 -0.3855 -0.3855 0.1290 0.1290 1.6823 1.6823 2.1852 2.1852 2.3625 2.3625 2.9389 2.9389 6.7582 6.7582 8.3324 8.3324 9.2810 9.2810 9.5592 9.5592 k = 0.5000 0.2887 0.1701 ( 5262 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9827 -7.9827 -7.8484 -7.8484 -0.3800 -0.3800 0.1530 0.1530 1.6439 1.6439 2.1745 2.1745 2.3513 2.3513 2.9487 2.9487 6.7663 6.7663 8.3190 8.3190 9.3095 9.3095 9.6434 9.6434 k = 0.5000 0.2887 0.1570 ( 5278 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9873 -7.9873 -7.8439 -7.8439 -0.3739 -0.3739 0.1777 0.1777 1.6057 1.6057 2.1626 2.1626 2.3398 2.3398 2.9575 2.9575 6.7778 6.7778 8.3079 8.3079 9.3146 9.3146 9.7482 9.7482 k = 0.5000 0.2887 0.1439 ( 5272 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.9917 -7.9917 -7.8396 -7.8396 -0.3671 -0.3671 0.2026 0.2026 1.5684 1.5684 2.1504 2.1504 2.3272 2.3272 2.9654 2.9654 6.7923 6.7923 8.3004 8.3004 9.3005 9.3005 9.8672 9.8672 k = 0.5000 0.2887 0.1308 ( 5260 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9958 -7.9958 -7.8356 -7.8356 -0.3597 -0.3597 0.2272 0.2272 1.5325 1.5325 2.1385 2.1385 2.3133 2.3133 2.9726 2.9726 6.8094 6.8094 8.2974 8.2974 9.2710 9.2710 9.9945 9.9945 k = 0.5000 0.2887 0.1177 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -7.9995 -7.9995 -7.8319 -7.8319 -0.3521 -0.3521 0.2512 0.2512 1.4987 1.4987 2.1275 2.1275 2.2978 2.2978 2.9792 2.9792 6.8283 6.8283 8.2996 8.2996 9.2292 9.2292 10.1240 10.1240 k = 0.5000 0.2887 0.1047 ( 5250 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0030 -8.0030 -7.8286 -7.8286 -0.3442 -0.3442 0.2740 0.2740 1.4673 1.4673 2.1178 2.1178 2.2809 2.2809 2.9853 2.9853 6.8483 6.8483 8.3079 8.3079 9.1775 9.1775 10.2385 10.2385 k = 0.5000 0.2887 0.0916 ( 5254 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0061 -8.0061 -7.8256 -7.8256 -0.3365 -0.3365 0.2952 0.2952 1.4388 1.4388 2.1097 2.1097 2.2630 2.2630 2.9908 2.9908 6.8685 6.8685 8.3226 8.3226 9.1178 9.1178 10.2715 10.2715 k = 0.5000 0.2887 0.0785 ( 5254 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0088 -8.0088 -7.8229 -7.8229 -0.3291 -0.3291 0.3144 0.3144 1.4136 1.4136 2.1033 2.1033 2.2447 2.2447 2.9958 2.9958 6.8879 6.8879 8.3442 8.3442 9.0524 9.0524 10.2504 10.2504 k = 0.5000 0.2887 0.0654 ( 5252 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0112 -8.0112 -7.8206 -7.8206 -0.3222 -0.3222 0.3312 0.3312 1.3921 1.3921 2.0988 2.0988 2.2265 2.2265 3.0002 3.0002 6.9059 6.9059 8.3728 8.3728 8.9831 8.9831 10.2246 10.2246 k = 0.5000 0.2887 0.0523 ( 5254 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0131 -8.0131 -7.8187 -7.8187 -0.3162 -0.3162 0.3454 0.3454 1.3743 1.3743 2.0962 2.0962 2.2094 2.2094 3.0040 3.0040 6.9216 6.9216 8.4084 8.4084 8.9119 8.9119 10.2015 10.2015 k = 0.5000 0.2887 0.0392 ( 5250 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0146 -8.0146 -7.8173 -7.8173 -0.3112 -0.3112 0.3566 0.3566 1.3604 1.3604 2.0952 2.0952 2.1941 2.1941 3.0070 3.0070 6.9344 6.9344 8.4506 8.4506 8.8405 8.8405 10.1828 10.1828 k = 0.5000 0.2887 0.0262 ( 5246 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0157 -8.0157 -7.8162 -7.8162 -0.3074 -0.3074 0.3647 0.3647 1.3505 1.3505 2.0955 2.0955 2.1817 2.1817 3.0092 3.0092 6.9439 6.9439 8.4981 8.4981 8.7714 8.7714 10.1692 10.1692 k = 0.5000 0.2887 0.0131 ( 5254 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0164 -8.0164 -7.8156 -7.8156 -0.3051 -0.3051 0.3696 0.3696 1.3446 1.3446 2.0962 2.0962 2.1734 2.1734 3.0106 3.0106 6.9497 6.9497 8.5471 8.5471 8.7092 8.7092 10.1609 10.1609 k = 0.5000 0.2887-0.0000 ( 5250 PWs) bands (ev): -71.9856 -71.9856 -38.9262 -38.9262 -38.6392 -38.6392 -38.6362 -38.6362 -8.0166 -8.0166 -7.8154 -7.8154 -0.3044 -0.3044 0.3712 0.3712 1.3426 1.3426 2.0967 2.0967 2.1705 2.1705 3.0110 3.0110 6.9517 6.9517 8.5764 8.5764 8.6754 8.6754 10.1581 10.1581 k = 0.3333 0.5774-0.0000 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8504 -7.8504 -7.8503 -7.8503 -0.0732 -0.0732 0.6349 0.6349 1.1454 1.1454 1.3916 1.3916 2.0282 2.0282 2.1052 2.1052 7.0236 7.0236 10.3638 10.3638 10.5007 10.5007 11.0162 11.0162 k = 0.3333 0.5774 0.0131 ( 5250 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8504 -7.8504 -7.8503 -7.8503 -0.0726 -0.0726 0.6328 0.6328 1.1414 1.1414 1.3911 1.3911 2.0316 2.0316 2.1097 2.1097 7.0271 7.0271 10.3515 10.3515 10.4876 10.4876 11.0149 11.0149 k = 0.3333 0.5774 0.0262 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8503 -7.8503 -7.8503 -7.8503 -0.0708 -0.0708 0.6264 0.6264 1.1299 1.1299 1.3891 1.3891 2.0416 2.0416 2.1231 2.1231 7.0375 7.0375 10.3158 10.3158 10.4495 10.4495 11.0115 11.0115 k = 0.3333 0.5774 0.0392 ( 5244 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8503 -7.8503 -7.8502 -7.8502 -0.0677 -0.0677 0.6162 0.6162 1.1118 1.1118 1.3854 1.3854 2.0580 2.0580 2.1448 2.1448 7.0548 7.0548 10.2601 10.2601 10.3898 10.3898 11.0073 11.0073 k = 0.3333 0.5774 0.0523 ( 5244 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8502 -7.8502 -7.8501 -7.8501 -0.0635 -0.0635 0.6025 0.6025 1.0886 1.0886 1.3795 1.3795 2.0803 2.0803 2.1738 2.1738 7.0788 7.0788 10.1885 10.1885 10.3130 10.3130 11.0030 11.0030 k = 0.3333 0.5774 0.0654 ( 5259 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8500 -7.8500 -7.8500 -7.8500 -0.0582 -0.0582 0.5858 0.5858 1.0617 1.0617 1.3711 1.3711 2.1077 2.1077 2.2091 2.2091 7.1092 7.1092 10.1051 10.1051 10.2235 10.2235 10.9986 10.9986 k = 0.3333 0.5774 0.0785 ( 5280 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8499 -7.8499 -7.8499 -7.8499 -0.0518 -0.0518 0.5667 0.5667 1.0323 1.0323 1.3600 1.3600 2.1397 2.1397 2.2495 2.2495 7.1458 7.1458 10.0135 10.0135 10.1255 10.1255 10.9939 10.9939 k = 0.3333 0.5774 0.0916 ( 5265 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8497 -7.8497 -7.8497 -7.8497 -0.0444 -0.0444 0.5458 0.5458 1.0016 1.0016 1.3465 1.3465 2.1753 2.1753 2.2940 2.2940 7.1880 7.1880 9.9168 9.9168 10.0221 10.0221 10.9880 10.9880 k = 0.3333 0.5774 0.1047 ( 5271 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8496 -7.8496 -7.8496 -7.8496 -0.0362 -0.0362 0.5237 0.5237 0.9703 0.9703 1.3308 1.3308 2.2138 2.2138 2.3414 2.3414 7.2356 7.2356 9.8174 9.8174 9.9159 9.9159 10.9800 10.9800 k = 0.3333 0.5774 0.1177 ( 5268 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8494 -7.8494 -7.8494 -7.8494 -0.0272 -0.0272 0.5009 0.5009 0.9392 0.9392 1.3130 1.3130 2.2544 2.2544 2.3907 2.3907 7.2879 7.2879 9.7171 9.7171 9.8091 9.8091 10.9687 10.9687 k = 0.3333 0.5774 0.1308 ( 5259 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6362 -38.6362 -7.8492 -7.8492 -7.8492 -7.8492 -0.0175 -0.0175 0.4779 0.4779 0.9089 0.9089 1.2937 1.2937 2.2964 2.2964 2.4410 2.4410 7.3443 7.3443 9.6178 9.6178 9.7034 9.7034 10.9531 10.9531 k = 0.3333 0.5774 0.1439 ( 5265 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8490 -7.8490 -7.8490 -7.8490 -0.0074 -0.0074 0.4551 0.4551 0.8798 0.8798 1.2732 1.2732 2.3389 2.3389 2.4915 2.4915 7.4041 7.4041 9.5207 9.5207 9.6002 9.6002 10.9320 10.9320 k = 0.3333 0.5774 0.1570 ( 5271 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8488 -7.8488 -7.8488 -7.8488 0.0031 0.0031 0.4330 0.4330 0.8524 0.8524 1.2520 1.2520 2.3812 2.3812 2.5414 2.5414 7.4666 7.4666 9.4271 9.4271 9.5007 9.5007 10.9047 10.9047 k = 0.3333 0.5774 0.1701 ( 5286 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8486 -7.8486 -7.8486 -7.8486 0.0138 0.0138 0.4118 0.4118 0.8268 0.8268 1.2304 1.2304 2.4227 2.4227 2.5899 2.5899 7.5308 7.5308 9.3380 9.3380 9.4060 9.4060 10.8708 10.8708 k = 0.3333 0.5774 0.1831 ( 5286 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8484 -7.8484 -7.8484 -7.8484 0.0244 0.0244 0.3919 0.3919 0.8034 0.8034 1.2089 1.2089 2.4626 2.4626 2.6364 2.6364 7.5957 7.5957 9.2544 9.2544 9.3172 9.3172 10.8309 10.8309 k = 0.3333 0.5774 0.1962 ( 5286 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8483 -7.8483 -7.8482 -7.8482 0.0347 0.0347 0.3735 0.3735 0.7823 0.7823 1.1879 1.1879 2.5004 2.5004 2.6801 2.6801 7.6601 7.6601 9.1771 9.1771 9.2352 9.2352 10.7860 10.7860 k = 0.3333 0.5774 0.2093 ( 5280 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8481 -7.8481 -7.8480 -7.8480 0.0445 0.0445 0.3568 0.3568 0.7636 0.7636 1.1680 1.1680 2.5353 2.5353 2.7204 2.7204 7.7226 7.7226 9.1070 9.1070 9.1607 9.1607 10.7379 10.7379 k = 0.3333 0.5774 0.2224 ( 5286 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8480 -7.8480 -7.8478 -7.8478 0.0536 0.0536 0.3421 0.3421 0.7474 0.7474 1.1495 1.1495 2.5669 2.5669 2.7567 2.7567 7.7819 7.7819 9.0447 9.0447 9.0945 9.0945 10.6886 10.6886 k = 0.3333 0.5774 0.2355 ( 5292 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8478 -7.8478 -7.8477 -7.8477 0.0617 0.0617 0.3293 0.3293 0.7339 0.7339 1.1328 1.1328 2.5946 2.5946 2.7884 2.7884 7.8362 7.8362 8.9908 8.9908 9.0373 9.0373 10.6408 10.6408 k = 0.3333 0.5774 0.2485 ( 5283 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6393 -38.6393 -38.6363 -38.6363 -7.8477 -7.8477 -7.8476 -7.8476 0.0687 0.0687 0.3187 0.3187 0.7228 0.7228 1.1186 1.1186 2.6179 2.6179 2.8151 2.8151 7.8840 7.8840 8.9460 8.9460 8.9896 8.9896 10.5971 10.5971 k = 0.3333 0.5774 0.2616 ( 5277 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8476 -7.8476 -7.8475 -7.8475 0.0744 0.0744 0.3104 0.3104 0.7143 0.7143 1.1070 1.1070 2.6365 2.6365 2.8364 2.8364 7.9234 7.9234 8.9106 8.9106 8.9520 8.9520 10.5598 10.5598 k = 0.3333 0.5774 0.2747 ( 5265 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8476 -7.8476 -7.8474 -7.8474 0.0786 0.0786 0.3044 0.3044 0.7083 0.7083 1.0985 1.0985 2.6500 2.6500 2.8518 2.8518 7.9529 7.9529 8.8851 8.8851 8.9248 8.9248 10.5314 10.5314 k = 0.3333 0.5774 0.2878 ( 5250 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8475 -7.8475 -7.8474 -7.8474 0.0811 0.0811 0.3008 0.3008 0.7047 0.7047 1.0932 1.0932 2.6582 2.6582 2.8612 2.8612 7.9712 7.9712 8.8697 8.8697 8.9084 8.9084 10.5135 10.5135 k = 0.3333 0.5774 0.3009 ( 5256 PWs) bands (ev): -71.9856 -71.9856 -38.9263 -38.9263 -38.6392 -38.6392 -38.6363 -38.6363 -7.8475 -7.8475 -7.8474 -7.8474 0.0820 0.0820 0.2996 0.2996 0.7035 0.7035 1.0915 1.0915 2.6609 2.6609 2.8643 2.8643 7.9774 7.9774 8.8645 8.8645 8.9029 8.9029 10.5074 10.5074 Writing output data file MgI2.save init_run : 0.22s CPU 0.37s WALL ( 1 calls) electrons : 73.46s CPU 74.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 73.45s CPU 74.88s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 320 calls) cegterg : 67.28s CPU 68.31s WALL ( 439 calls) Called by sum_band: Called by *egterg: h_psi : 40.27s CPU 41.05s WALL ( 7115 calls) s_psi : 1.47s CPU 1.54s WALL ( 7115 calls) g_psi : 0.14s CPU 0.15s WALL ( 6356 calls) cdiaghg : 22.24s CPU 22.54s WALL ( 6676 calls) cegterg:over : 2.56s CPU 2.52s WALL ( 6356 calls) cegterg:upda : 2.32s CPU 2.47s WALL ( 6356 calls) cegterg:last : 1.37s CPU 1.40s WALL ( 1079 calls) cdiaghg:chol : 1.23s CPU 1.26s WALL ( 6676 calls) cdiaghg:inve : 0.48s CPU 0.50s WALL ( 6676 calls) cdiaghg:para : 1.32s CPU 1.37s WALL ( 13352 calls) Called by h_psi: h_psi:vloc : 36.48s CPU 37.10s WALL ( 7115 calls) h_psi:vnl : 3.66s CPU 3.83s WALL ( 7115 calls) add_vuspsi : 1.88s CPU 1.93s WALL ( 7115 calls) General routines calbec : 1.75s CPU 1.88s WALL ( 7115 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 33.80s CPU 34.38s WALL ( 411080 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.20s WALL ( 640 calls) Parallel routines fft_scatter : 13.32s CPU 13.25s WALL ( 411103 calls) PWSCF : 1m25.04s CPU 1m46.14s WALL This run was terminated on: 11:19:59 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=