Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:37:43 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./CaxZnAsx2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 32 21 6 1522 821 132 Max 33 22 7 1533 840 137 Sum 1165 769 235 54923 29877 4801 bravais-lattice index = 14 lattice parameter (alat) = 7.8650 a.u. unit-cell volume = 709.6583 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.865040 celldm(2)= 1.000000 celldm(3)= 1.684286 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 1.684286 ) 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 0.593723 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 As 5.00 74.92160 As( 1.00) Ca 10.00 40.07800 Ca( 1.00) Zn 12.00 65.40900 Zn( 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 0.0129070), wk = 0.0031250 k( 127) = ( 0.0000000 0.0000000 0.0258141), wk = 0.0031250 k( 128) = ( 0.0000000 0.0000000 0.0387211), wk = 0.0031250 k( 129) = ( 0.0000000 0.0000000 0.0516281), wk = 0.0031250 k( 130) = ( 0.0000000 0.0000000 0.0645351), wk = 0.0031250 k( 131) = ( 0.0000000 0.0000000 0.0774422), wk = 0.0031250 k( 132) = ( 0.0000000 0.0000000 0.0903492), wk = 0.0031250 k( 133) = ( 0.0000000 0.0000000 0.1032562), wk = 0.0031250 k( 134) = ( 0.0000000 0.0000000 0.1161632), wk = 0.0031250 k( 135) = ( 0.0000000 0.0000000 0.1290703), wk = 0.0031250 k( 136) = ( 0.0000000 0.0000000 0.1419773), wk = 0.0031250 k( 137) = ( 0.0000000 0.0000000 0.1548843), wk = 0.0031250 k( 138) = ( 0.0000000 0.0000000 0.1677914), wk = 0.0031250 k( 139) = ( 0.0000000 0.0000000 0.1806984), wk = 0.0031250 k( 140) = ( 0.0000000 0.0000000 0.1936054), wk = 0.0031250 k( 141) = ( 0.0000000 0.0000000 0.2065124), wk = 0.0031250 k( 142) = ( 0.0000000 0.0000000 0.2194195), wk = 0.0031250 k( 143) = ( 0.0000000 0.0000000 0.2323265), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.2452335), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.2581405), wk = 0.0031250 k( 146) = ( 0.0000000 0.0000000 0.2710476), wk = 0.0031250 k( 147) = ( 0.0000000 0.0000000 0.2839546), wk = 0.0031250 k( 148) = ( 0.0000000 0.0000000 0.2968616), wk = 0.0031250 k( 149) = ( 0.0000000 0.0000000 0.2968616), wk = 0.0031250 k( 150) = ( 0.0113636 0.0065608 0.2968616), wk = 0.0031250 k( 151) = ( 0.0227273 0.0131216 0.2968616), wk = 0.0031250 k( 152) = ( 0.0340909 0.0196824 0.2968616), wk = 0.0031250 k( 153) = ( 0.0454546 0.0262432 0.2968616), wk = 0.0031250 k( 154) = ( 0.0568182 0.0328040 0.2968616), wk = 0.0031250 k( 155) = ( 0.0681818 0.0393648 0.2968616), wk = 0.0031250 k( 156) = ( 0.0795455 0.0459256 0.2968616), wk = 0.0031250 k( 157) = ( 0.0909091 0.0524864 0.2968616), wk = 0.0031250 k( 158) = ( 0.1022727 0.0590472 0.2968616), wk = 0.0031250 k( 159) = ( 0.1136364 0.0656080 0.2968616), wk = 0.0031250 k( 160) = ( 0.1250000 0.0721688 0.2968616), wk = 0.0031250 k( 161) = ( 0.1363636 0.0787296 0.2968616), wk = 0.0031250 k( 162) = ( 0.1477273 0.0852904 0.2968616), wk = 0.0031250 k( 163) = ( 0.1590909 0.0918512 0.2968616), wk = 0.0031250 k( 164) = ( 0.1704546 0.0984120 0.2968616), wk = 0.0031250 k( 165) = ( 0.1818182 0.1049728 0.2968616), wk = 0.0031250 k( 166) = ( 0.1931818 0.1115336 0.2968616), wk = 0.0031250 k( 167) = ( 0.2045454 0.1180944 0.2968616), wk = 0.0031250 k( 168) = ( 0.2159091 0.1246552 0.2968616), wk = 0.0031250 k( 169) = ( 0.2272727 0.1312160 0.2968616), wk = 0.0031250 k( 170) = ( 0.2386364 0.1377768 0.2968616), wk = 0.0031250 k( 171) = ( 0.2500000 0.1443376 0.2968616), wk = 0.0031250 k( 172) = ( 0.2613636 0.1508984 0.2968616), wk = 0.0031250 k( 173) = ( 0.2727273 0.1574592 0.2968616), wk = 0.0031250 k( 174) = ( 0.2840909 0.1640200 0.2968616), wk = 0.0031250 k( 175) = ( 0.2954545 0.1705808 0.2968616), wk = 0.0031250 k( 176) = ( 0.3068182 0.1771416 0.2968616), wk = 0.0031250 k( 177) = ( 0.3181818 0.1837024 0.2968616), wk = 0.0031250 k( 178) = ( 0.3295455 0.1902632 0.2968616), wk = 0.0031250 k( 179) = ( 0.3409091 0.1968240 0.2968616), wk = 0.0031250 k( 180) = ( 0.3522727 0.2033848 0.2968616), wk = 0.0031250 k( 181) = ( 0.3636364 0.2099456 0.2968616), wk = 0.0031250 k( 182) = ( 0.3750000 0.2165064 0.2968616), wk = 0.0031250 k( 183) = ( 0.3863636 0.2230672 0.2968616), wk = 0.0031250 k( 184) = ( 0.3977273 0.2296279 0.2968616), wk = 0.0031250 k( 185) = ( 0.4090909 0.2361887 0.2968616), wk = 0.0031250 k( 186) = ( 0.4204545 0.2427495 0.2968616), wk = 0.0031250 k( 187) = ( 0.4318182 0.2493103 0.2968616), wk = 0.0031250 k( 188) = ( 0.4431818 0.2558711 0.2968616), wk = 0.0031250 k( 189) = ( 0.4545455 0.2624319 0.2968616), wk = 0.0031250 k( 190) = ( 0.4659091 0.2689927 0.2968616), wk = 0.0031250 k( 191) = ( 0.4772727 0.2755535 0.2968616), wk = 0.0031250 k( 192) = ( 0.4886364 0.2821143 0.2968616), wk = 0.0031250 k( 193) = ( 0.5000000 0.2886751 0.2968616), wk = 0.0031250 k( 194) = ( 0.5000000 0.2886751 0.2968616), wk = 0.0031250 k( 195) = ( 0.4935897 0.2997780 0.2968616), wk = 0.0031250 k( 196) = ( 0.4871795 0.3108809 0.2968616), wk = 0.0031250 k( 197) = ( 0.4807692 0.3219838 0.2968616), wk = 0.0031250 k( 198) = ( 0.4743590 0.3330867 0.2968616), wk = 0.0031250 k( 199) = ( 0.4679487 0.3441896 0.2968616), wk = 0.0031250 k( 200) = ( 0.4615385 0.3552925 0.2968616), wk = 0.0031250 k( 201) = ( 0.4551282 0.3663954 0.2968616), wk = 0.0031250 k( 202) = ( 0.4487179 0.3774983 0.2968616), wk = 0.0031250 k( 203) = ( 0.4423077 0.3886011 0.2968616), wk = 0.0031250 k( 204) = ( 0.4358974 0.3997040 0.2968616), wk = 0.0031250 k( 205) = ( 0.4294872 0.4108069 0.2968616), wk = 0.0031250 k( 206) = ( 0.4230769 0.4219098 0.2968616), wk = 0.0031250 k( 207) = ( 0.4166667 0.4330127 0.2968616), wk = 0.0031250 k( 208) = ( 0.4102564 0.4441156 0.2968616), wk = 0.0031250 k( 209) = ( 0.4038462 0.4552185 0.2968616), wk = 0.0031250 k( 210) = ( 0.3974359 0.4663214 0.2968616), wk = 0.0031250 k( 211) = ( 0.3910256 0.4774243 0.2968616), wk = 0.0031250 k( 212) = ( 0.3846154 0.4885271 0.2968616), wk = 0.0031250 k( 213) = ( 0.3782051 0.4996300 0.2968616), wk = 0.0031250 k( 214) = ( 0.3717949 0.5107329 0.2968616), wk = 0.0031250 k( 215) = ( 0.3653846 0.5218358 0.2968616), wk = 0.0031250 k( 216) = ( 0.3589744 0.5329387 0.2968616), wk = 0.0031250 k( 217) = ( 0.3525641 0.5440416 0.2968616), wk = 0.0031250 k( 218) = ( 0.3461538 0.5551445 0.2968616), wk = 0.0031250 k( 219) = ( 0.3397436 0.5662474 0.2968616), wk = 0.0031250 k( 220) = ( 0.3333333 0.5773503 0.2968616), wk = 0.0031250 k( 221) = ( 0.3333333 0.5773503 0.2968616), wk = 0.0031250 k( 222) = ( 0.3267974 0.5660297 0.2968616), wk = 0.0031250 k( 223) = ( 0.3202614 0.5547091 0.2968616), wk = 0.0031250 k( 224) = ( 0.3137255 0.5433885 0.2968616), wk = 0.0031250 k( 225) = ( 0.3071895 0.5320679 0.2968616), wk = 0.0031250 k( 226) = ( 0.3006536 0.5207473 0.2968616), wk = 0.0031250 k( 227) = ( 0.2941177 0.5094267 0.2968616), wk = 0.0031250 k( 228) = ( 0.2875817 0.4981061 0.2968616), wk = 0.0031250 k( 229) = ( 0.2810457 0.4867855 0.2968616), wk = 0.0031250 k( 230) = ( 0.2745098 0.4754649 0.2968616), wk = 0.0031250 k( 231) = ( 0.2679739 0.4641443 0.2968616), wk = 0.0031250 k( 232) = ( 0.2614379 0.4528237 0.2968616), wk = 0.0031250 k( 233) = ( 0.2549020 0.4415031 0.2968616), wk = 0.0031250 k( 234) = ( 0.2483660 0.4301825 0.2968616), wk = 0.0031250 k( 235) = ( 0.2418301 0.4188620 0.2968616), wk = 0.0031250 k( 236) = ( 0.2352941 0.4075414 0.2968616), wk = 0.0031250 k( 237) = ( 0.2287582 0.3962208 0.2968616), wk = 0.0031250 k( 238) = ( 0.2222222 0.3849002 0.2968616), wk = 0.0031250 k( 239) = ( 0.2156863 0.3735796 0.2968616), wk = 0.0031250 k( 240) = ( 0.2091503 0.3622590 0.2968616), wk = 0.0031250 k( 241) = ( 0.2026144 0.3509384 0.2968616), wk = 0.0031250 k( 242) = ( 0.1960784 0.3396178 0.2968616), wk = 0.0031250 k( 243) = ( 0.1895425 0.3282972 0.2968616), wk = 0.0031250 k( 244) = ( 0.1830065 0.3169766 0.2968616), wk = 0.0031250 k( 245) = ( 0.1764706 0.3056560 0.2968616), wk = 0.0031250 k( 246) = ( 0.1699346 0.2943354 0.2968616), wk = 0.0031250 k( 247) = ( 0.1633987 0.2830148 0.2968616), wk = 0.0031250 k( 248) = ( 0.1568627 0.2716943 0.2968616), wk = 0.0031250 k( 249) = ( 0.1503268 0.2603737 0.2968616), wk = 0.0031250 k( 250) = ( 0.1437908 0.2490531 0.2968616), wk = 0.0031250 k( 251) = ( 0.1372549 0.2377325 0.2968616), wk = 0.0031250 k( 252) = ( 0.1307190 0.2264119 0.2968616), wk = 0.0031250 k( 253) = ( 0.1241830 0.2150913 0.2968616), wk = 0.0031250 k( 254) = ( 0.1176471 0.2037707 0.2968616), wk = 0.0031250 k( 255) = ( 0.1111111 0.1924501 0.2968616), wk = 0.0031250 k( 256) = ( 0.1045752 0.1811295 0.2968616), wk = 0.0031250 k( 257) = ( 0.0980392 0.1698089 0.2968616), wk = 0.0031250 k( 258) = ( 0.0915033 0.1584883 0.2968616), wk = 0.0031250 k( 259) = ( 0.0849673 0.1471677 0.2968616), wk = 0.0031250 k( 260) = ( 0.0784314 0.1358471 0.2968616), wk = 0.0031250 k( 261) = ( 0.0718954 0.1245265 0.2968616), wk = 0.0031250 k( 262) = ( 0.0653595 0.1132059 0.2968616), wk = 0.0031250 k( 263) = ( 0.0588235 0.1018853 0.2968616), wk = 0.0031250 k( 264) = ( 0.0522876 0.0905647 0.2968616), wk = 0.0031250 k( 265) = ( 0.0457516 0.0792441 0.2968616), wk = 0.0031250 k( 266) = ( 0.0392157 0.0679236 0.2968616), wk = 0.0031250 k( 267) = ( 0.0326797 0.0566030 0.2968616), wk = 0.0031250 k( 268) = ( 0.0261438 0.0452824 0.2968616), wk = 0.0031250 k( 269) = ( 0.0196078 0.0339618 0.2968616), wk = 0.0031250 k( 270) = ( 0.0130719 0.0226412 0.2968616), wk = 0.0031250 k( 271) = ( 0.0065359 0.0113206 0.2968616), wk = 0.0031250 k( 272) = ( 0.0000000 0.0000000 0.2968616), wk = 0.0031250 k( 273) = ( 0.5000000 0.2886751 0.2968616), wk = 0.0031250 k( 274) = ( 0.5000000 0.2886751 0.2839546), wk = 0.0031250 k( 275) = ( 0.5000000 0.2886751 0.2710476), wk = 0.0031250 k( 276) = ( 0.5000000 0.2886751 0.2581405), wk = 0.0031250 k( 277) = ( 0.5000000 0.2886751 0.2452335), wk = 0.0031250 k( 278) = ( 0.5000000 0.2886751 0.2323265), wk = 0.0031250 k( 279) = ( 0.5000000 0.2886751 0.2194195), wk = 0.0031250 k( 280) = ( 0.5000000 0.2886751 0.2065124), wk = 0.0031250 k( 281) = ( 0.5000000 0.2886751 0.1936054), wk = 0.0031250 k( 282) = ( 0.5000000 0.2886751 0.1806984), wk = 0.0031250 k( 283) = ( 0.5000000 0.2886751 0.1677914), wk = 0.0031250 k( 284) = ( 0.5000000 0.2886751 0.1548843), wk = 0.0031250 k( 285) = ( 0.5000000 0.2886751 0.1419773), wk = 0.0031250 k( 286) = ( 0.5000000 0.2886751 0.1290703), wk = 0.0031250 k( 287) = ( 0.5000000 0.2886751 0.1161632), wk = 0.0031250 k( 288) = ( 0.5000000 0.2886751 0.1032562), wk = 0.0031250 k( 289) = ( 0.5000000 0.2886751 0.0903492), wk = 0.0031250 k( 290) = ( 0.5000000 0.2886751 0.0774422), wk = 0.0031250 k( 291) = ( 0.5000000 0.2886751 0.0645351), wk = 0.0031250 k( 292) = ( 0.5000000 0.2886751 0.0516281), wk = 0.0031250 k( 293) = ( 0.5000000 0.2886751 0.0387211), wk = 0.0031250 k( 294) = ( 0.5000000 0.2886751 0.0258141), wk = 0.0031250 k( 295) = ( 0.5000000 0.2886751 0.0129070), 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 0.0129070), wk = 0.0031250 k( 299) = ( 0.3333333 0.5773503 0.0258141), wk = 0.0031250 k( 300) = ( 0.3333333 0.5773503 0.0387211), wk = 0.0031250 k( 301) = ( 0.3333333 0.5773503 0.0516281), wk = 0.0031250 k( 302) = ( 0.3333333 0.5773503 0.0645351), wk = 0.0031250 k( 303) = ( 0.3333333 0.5773503 0.0774422), wk = 0.0031250 k( 304) = ( 0.3333333 0.5773503 0.0903492), wk = 0.0031250 k( 305) = ( 0.3333333 0.5773503 0.1032562), wk = 0.0031250 k( 306) = ( 0.3333333 0.5773503 0.1161632), wk = 0.0031250 k( 307) = ( 0.3333333 0.5773503 0.1290703), wk = 0.0031250 k( 308) = ( 0.3333333 0.5773503 0.1419773), wk = 0.0031250 k( 309) = ( 0.3333333 0.5773503 0.1548843), wk = 0.0031250 k( 310) = ( 0.3333333 0.5773503 0.1677914), wk = 0.0031250 k( 311) = ( 0.3333333 0.5773503 0.1806984), wk = 0.0031250 k( 312) = ( 0.3333333 0.5773503 0.1936054), wk = 0.0031250 k( 313) = ( 0.3333333 0.5773503 0.2065124), wk = 0.0031250 k( 314) = ( 0.3333333 0.5773503 0.2194195), wk = 0.0031250 k( 315) = ( 0.3333333 0.5773503 0.2323265), wk = 0.0031250 k( 316) = ( 0.3333333 0.5773503 0.2452335), wk = 0.0031250 k( 317) = ( 0.3333333 0.5773503 0.2581405), wk = 0.0031250 k( 318) = ( 0.3333333 0.5773503 0.2710476), wk = 0.0031250 k( 319) = ( 0.3333333 0.5773503 0.2839546), wk = 0.0031250 k( 320) = ( 0.3333333 0.5773503 0.2968616), 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 0.1086956), 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 0.1086957), 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: 54923 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 29877 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 236, 52) NL pseudopotentials 0.23 Mb ( 118, 130) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1526) G-vector shells 0.01 Mb ( 691) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 236, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.21 Mb ( 130, 2, 52) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CaxZnAsx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 7.2 secs Computing kpt #: 5 total cpu time spent up to now is 8.1 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 9.6 secs Computing kpt #: 8 total cpu time spent up to now is 10.3 secs Computing kpt #: 9 total cpu time spent up to now is 11.0 secs Computing kpt #: 10 total cpu time spent up to now is 11.6 secs Computing kpt #: 11 total cpu time spent up to now is 12.5 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 13.8 secs Computing kpt #: 13 total cpu time spent up to now is 14.9 secs Computing kpt #: 14 total cpu time spent up to now is 15.5 secs Computing kpt #: 15 total cpu time spent up to now is 16.2 secs Computing kpt #: 16 total cpu time spent up to now is 16.8 secs Computing kpt #: 17 total cpu time spent up to now is 17.3 secs Computing kpt #: 18 total cpu time spent up to now is 18.0 secs Computing kpt #: 19 total cpu time spent up to now is 18.6 secs Computing kpt #: 20 total cpu time spent up to now is 19.4 secs Computing kpt #: 21 total cpu time spent up to now is 20.4 secs Computing kpt #: 22 total cpu time spent up to now is 21.4 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.6 secs Computing kpt #: 24 total cpu time spent up to now is 23.5 secs Computing kpt #: 25 total cpu time spent up to now is 24.0 secs Computing kpt #: 26 total cpu time spent up to now is 24.9 secs Computing kpt #: 27 total cpu time spent up to now is 25.4 secs Computing kpt #: 28 total cpu time spent up to now is 25.9 secs Computing kpt #: 29 total cpu time spent up to now is 26.4 secs Computing kpt #: 30 total cpu time spent up to now is 27.1 secs Computing kpt #: 31 total cpu time spent up to now is 27.6 secs Computing kpt #: 32 total cpu time spent up to now is 28.4 secs Computing kpt #: 33 total cpu time spent up to now is 29.1 secs Computing kpt #: 34 total cpu time spent up to now is 29.6 secs Computing kpt #: 35 total cpu time spent up to now is 30.3 secs Computing kpt #: 36 total cpu time spent up to now is 31.1 secs Computing kpt #: 37 total cpu time spent up to now is 31.8 secs Computing kpt #: 38 total cpu time spent up to now is 32.5 secs Computing kpt #: 39 total cpu time spent up to now is 33.3 secs Computing kpt #: 40 total cpu time spent up to now is 34.0 secs Computing kpt #: 41 total cpu time spent up to now is 34.8 secs Computing kpt #: 42 total cpu time spent up to now is 35.6 secs Computing kpt #: 43 total cpu time spent up to now is 36.1 secs Computing kpt #: 44 total cpu time spent up to now is 36.6 secs Computing kpt #: 45 total cpu time spent up to now is 37.1 secs Computing kpt #: 46 total cpu time spent up to now is 37.7 secs Computing kpt #: 47 total cpu time spent up to now is 38.2 secs Computing kpt #: 48 total cpu time spent up to now is 38.7 secs Computing kpt #: 49 total cpu time spent up to now is 39.3 secs Computing kpt #: 50 total cpu time spent up to now is 39.8 secs Computing kpt #: 51 total cpu time spent up to now is 40.4 secs Computing kpt #: 52 total cpu time spent up to now is 41.0 secs Computing kpt #: 53 total cpu time spent up to now is 41.7 secs Computing kpt #: 54 total cpu time spent up to now is 42.2 secs Computing kpt #: 55 total cpu time spent up to now is 42.7 secs Computing kpt #: 56 total cpu time spent up to now is 43.2 secs Computing kpt #: 57 total cpu time spent up to now is 43.6 secs Computing kpt #: 58 total cpu time spent up to now is 44.0 secs Computing kpt #: 59 total cpu time spent up to now is 44.5 secs Computing kpt #: 60 total cpu time spent up to now is 44.9 secs Computing kpt #: 61 total cpu time spent up to now is 45.3 secs Computing kpt #: 62 total cpu time spent up to now is 45.7 secs Computing kpt #: 63 total cpu time spent up to now is 46.1 secs Computing kpt #: 64 total cpu time spent up to now is 46.5 secs Computing kpt #: 65 total cpu time spent up to now is 46.9 secs Computing kpt #: 66 total cpu time spent up to now is 47.3 secs Computing kpt #: 67 total cpu time spent up to now is 47.7 secs Computing kpt #: 68 total cpu time spent up to now is 48.2 secs Computing kpt #: 69 total cpu time spent up to now is 48.6 secs Computing kpt #: 70 total cpu time spent up to now is 49.0 secs Computing kpt #: 71 total cpu time spent up to now is 49.4 secs Computing kpt #: 72 total cpu time spent up to now is 49.9 secs Computing kpt #: 73 total cpu time spent up to now is 50.4 secs Computing kpt #: 74 total cpu time spent up to now is 50.8 secs Computing kpt #: 75 total cpu time spent up to now is 51.2 secs Computing kpt #: 76 total cpu time spent up to now is 51.6 secs Computing kpt #: 77 total cpu time spent up to now is 52.0 secs Computing kpt #: 78 total cpu time spent up to now is 52.5 secs Computing kpt #: 79 total cpu time spent up to now is 52.9 secs Computing kpt #: 80 total cpu time spent up to now is 53.3 secs Computing kpt #: 81 total cpu time spent up to now is 53.7 secs Computing kpt #: 82 total cpu time spent up to now is 54.1 secs Computing kpt #: 83 total cpu time spent up to now is 54.5 secs Computing kpt #: 84 total cpu time spent up to now is 55.0 secs Computing kpt #: 85 total cpu time spent up to now is 55.4 secs Computing kpt #: 86 total cpu time spent up to now is 55.9 secs Computing kpt #: 87 total cpu time spent up to now is 56.3 secs Computing kpt #: 88 total cpu time spent up to now is 56.8 secs Computing kpt #: 89 total cpu time spent up to now is 57.3 secs Computing kpt #: 90 total cpu time spent up to now is 57.9 secs Computing kpt #: 91 total cpu time spent up to now is 58.4 secs Computing kpt #: 92 total cpu time spent up to now is 58.9 secs Computing kpt #: 93 total cpu time spent up to now is 59.4 secs Computing kpt #: 94 total cpu time spent up to now is 59.9 secs Computing kpt #: 95 total cpu time spent up to now is 60.4 secs Computing kpt #: 96 total cpu time spent up to now is 60.9 secs Computing kpt #: 97 total cpu time spent up to now is 61.4 secs Computing kpt #: 98 total cpu time spent up to now is 61.9 secs Computing kpt #: 99 total cpu time spent up to now is 62.4 secs Computing kpt #: 100 total cpu time spent up to now is 62.9 secs Computing kpt #: 101 total cpu time spent up to now is 63.4 secs Computing kpt #: 102 total cpu time spent up to now is 63.9 secs Computing kpt #: 103 total cpu time spent up to now is 64.4 secs Computing kpt #: 104 total cpu time spent up to now is 64.9 secs Computing kpt #: 105 total cpu time spent up to now is 65.4 secs Computing kpt #: 106 total cpu time spent up to now is 65.9 secs Computing kpt #: 107 total cpu time spent up to now is 66.5 secs Computing kpt #: 108 total cpu time spent up to now is 67.1 secs Computing kpt #: 109 total cpu time spent up to now is 67.8 secs Computing kpt #: 110 total cpu time spent up to now is 68.4 secs Computing kpt #: 111 total cpu time spent up to now is 69.1 secs Computing kpt #: 112 total cpu time spent up to now is 69.8 secs Computing kpt #: 113 total cpu time spent up to now is 70.5 secs Computing kpt #: 114 total cpu time spent up to now is 71.2 secs Computing kpt #: 115 total cpu time spent up to now is 71.9 secs Computing kpt #: 116 total cpu time spent up to now is 72.6 secs Computing kpt #: 117 total cpu time spent up to now is 73.4 secs Computing kpt #: 118 total cpu time spent up to now is 74.4 secs Computing kpt #: 119 total cpu time spent up to now is 75.5 secs Computing kpt #: 120 total cpu time spent up to now is 76.3 secs Computing kpt #: 121 total cpu time spent up to now is 77.1 secs Computing kpt #: 122 total cpu time spent up to now is 77.8 secs Computing kpt #: 123 total cpu time spent up to now is 78.5 secs Computing kpt #: 124 total cpu time spent up to now is 79.0 secs Computing kpt #: 125 total cpu time spent up to now is 79.5 secs Computing kpt #: 126 total cpu time spent up to now is 80.2 secs Computing kpt #: 127 total cpu time spent up to now is 80.7 secs Computing kpt #: 128 total cpu time spent up to now is 81.4 secs Computing kpt #: 129 total cpu time spent up to now is 82.2 secs Computing kpt #: 130 total cpu time spent up to now is 82.9 secs Computing kpt #: 131 total cpu time spent up to now is 83.6 secs Computing kpt #: 132 total cpu time spent up to now is 84.4 secs Computing kpt #: 133 total cpu time spent up to now is 85.1 secs Computing kpt #: 134 total cpu time spent up to now is 85.8 secs Computing kpt #: 135 total cpu time spent up to now is 86.5 secs Computing kpt #: 136 total cpu time spent up to now is 87.3 secs Computing kpt #: 137 total cpu time spent up to now is 87.9 secs Computing kpt #: 138 total cpu time spent up to now is 88.5 secs Computing kpt #: 139 total cpu time spent up to now is 89.1 secs Computing kpt #: 140 total cpu time spent up to now is 89.7 secs Computing kpt #: 141 total cpu time spent up to now is 90.3 secs Computing kpt #: 142 total cpu time spent up to now is 90.9 secs Computing kpt #: 143 total cpu time spent up to now is 91.5 secs Computing kpt #: 144 total cpu time spent up to now is 92.0 secs Computing kpt #: 145 total cpu time spent up to now is 92.6 secs Computing kpt #: 146 total cpu time spent up to now is 93.2 secs Computing kpt #: 147 total cpu time spent up to now is 93.7 secs Computing kpt #: 148 total cpu time spent up to now is 94.2 secs Computing kpt #: 149 total cpu time spent up to now is 95.0 secs Computing kpt #: 150 total cpu time spent up to now is 95.5 secs Computing kpt #: 151 total cpu time spent up to now is 96.1 secs Computing kpt #: 152 total cpu time spent up to now is 96.6 secs Computing kpt #: 153 total cpu time spent up to now is 97.2 secs Computing kpt #: 154 total cpu time spent up to now is 97.8 secs Computing kpt #: 155 total cpu time spent up to now is 98.3 secs Computing kpt #: 156 total cpu time spent up to now is 98.9 secs Computing kpt #: 157 total cpu time spent up to now is 99.5 secs Computing kpt #: 158 total cpu time spent up to now is 100.0 secs Computing kpt #: 159 total cpu time spent up to now is 100.6 secs Computing kpt #: 160 total cpu time spent up to now is 101.2 secs Computing kpt #: 161 total cpu time spent up to now is 101.9 secs Computing kpt #: 162 total cpu time spent up to now is 102.8 secs Computing kpt #: 163 total cpu time spent up to now is 104.0 secs Computing kpt #: 164 total cpu time spent up to now is 105.1 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 106.5 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.8 secs Computing kpt #: 167 total cpu time spent up to now is 108.4 secs Computing kpt #: 168 total cpu time spent up to now is 109.0 secs Computing kpt #: 169 total cpu time spent up to now is 109.5 secs Computing kpt #: 170 total cpu time spent up to now is 109.9 secs Computing kpt #: 171 total cpu time spent up to now is 110.3 secs Computing kpt #: 172 total cpu time spent up to now is 110.7 secs Computing kpt #: 173 total cpu time spent up to now is 111.1 secs Computing kpt #: 174 total cpu time spent up to now is 111.5 secs Computing kpt #: 175 total cpu time spent up to now is 111.9 secs Computing kpt #: 176 total cpu time spent up to now is 112.3 secs Computing kpt #: 177 total cpu time spent up to now is 112.7 secs Computing kpt #: 178 total cpu time spent up to now is 113.1 secs Computing kpt #: 179 total cpu time spent up to now is 113.5 secs Computing kpt #: 180 total cpu time spent up to now is 113.9 secs Computing kpt #: 181 total cpu time spent up to now is 114.2 secs Computing kpt #: 182 total cpu time spent up to now is 114.6 secs Computing kpt #: 183 total cpu time spent up to now is 115.0 secs Computing kpt #: 184 total cpu time spent up to now is 115.4 secs Computing kpt #: 185 total cpu time spent up to now is 115.8 secs Computing kpt #: 186 total cpu time spent up to now is 116.2 secs Computing kpt #: 187 total cpu time spent up to now is 116.6 secs Computing kpt #: 188 total cpu time spent up to now is 117.0 secs Computing kpt #: 189 total cpu time spent up to now is 117.4 secs Computing kpt #: 190 total cpu time spent up to now is 117.8 secs Computing kpt #: 191 total cpu time spent up to now is 118.2 secs Computing kpt #: 192 total cpu time spent up to now is 118.7 secs Computing kpt #: 193 total cpu time spent up to now is 119.1 secs Computing kpt #: 194 total cpu time spent up to now is 119.5 secs Computing kpt #: 195 total cpu time spent up to now is 119.9 secs Computing kpt #: 196 total cpu time spent up to now is 120.3 secs Computing kpt #: 197 total cpu time spent up to now is 120.7 secs Computing kpt #: 198 total cpu time spent up to now is 121.1 secs Computing kpt #: 199 total cpu time spent up to now is 121.5 secs Computing kpt #: 200 total cpu time spent up to now is 121.9 secs Computing kpt #: 201 total cpu time spent up to now is 122.3 secs Computing kpt #: 202 total cpu time spent up to now is 122.7 secs Computing kpt #: 203 total cpu time spent up to now is 123.1 secs Computing kpt #: 204 total cpu time spent up to now is 123.5 secs Computing kpt #: 205 total cpu time spent up to now is 123.9 secs Computing kpt #: 206 total cpu time spent up to now is 124.3 secs Computing kpt #: 207 total cpu time spent up to now is 124.7 secs Computing kpt #: 208 total cpu time spent up to now is 125.2 secs Computing kpt #: 209 total cpu time spent up to now is 125.6 secs Computing kpt #: 210 total cpu time spent up to now is 126.1 secs Computing kpt #: 211 total cpu time spent up to now is 126.7 secs Computing kpt #: 212 total cpu time spent up to now is 127.2 secs Computing kpt #: 213 total cpu time spent up to now is 127.8 secs Computing kpt #: 214 total cpu time spent up to now is 128.4 secs Computing kpt #: 215 total cpu time spent up to now is 128.9 secs Computing kpt #: 216 total cpu time spent up to now is 129.4 secs Computing kpt #: 217 total cpu time spent up to now is 130.0 secs Computing kpt #: 218 total cpu time spent up to now is 130.5 secs Computing kpt #: 219 total cpu time spent up to now is 131.2 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.6 secs Computing kpt #: 221 total cpu time spent up to now is 133.8 secs Computing kpt #: 222 total cpu time spent up to now is 134.8 secs Computing kpt #: 223 total cpu time spent up to now is 135.5 secs Computing kpt #: 224 total cpu time spent up to now is 136.0 secs Computing kpt #: 225 total cpu time spent up to now is 136.7 secs Computing kpt #: 226 total cpu time spent up to now is 137.3 secs Computing kpt #: 227 total cpu time spent up to now is 137.9 secs Computing kpt #: 228 total cpu time spent up to now is 138.5 secs Computing kpt #: 229 total cpu time spent up to now is 139.4 secs Computing kpt #: 230 total cpu time spent up to now is 139.9 secs Computing kpt #: 231 total cpu time spent up to now is 140.4 secs Computing kpt #: 232 total cpu time spent up to now is 140.9 secs Computing kpt #: 233 total cpu time spent up to now is 141.4 secs Computing kpt #: 234 total cpu time spent up to now is 141.9 secs Computing kpt #: 235 total cpu time spent up to now is 142.4 secs Computing kpt #: 236 total cpu time spent up to now is 142.9 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.2 secs Computing kpt #: 238 total cpu time spent up to now is 145.0 secs Computing kpt #: 239 total cpu time spent up to now is 145.5 secs Computing kpt #: 240 total cpu time spent up to now is 146.0 secs Computing kpt #: 241 total cpu time spent up to now is 146.7 secs Computing kpt #: 242 total cpu time spent up to now is 147.1 secs Computing kpt #: 243 total cpu time spent up to now is 147.6 secs Computing kpt #: 244 total cpu time spent up to now is 148.1 secs Computing kpt #: 245 total cpu time spent up to now is 148.6 secs Computing kpt #: 246 total cpu time spent up to now is 149.1 secs Computing kpt #: 247 total cpu time spent up to now is 149.5 secs Computing kpt #: 248 total cpu time spent up to now is 149.9 secs Computing kpt #: 249 total cpu time spent up to now is 150.3 secs Computing kpt #: 250 total cpu time spent up to now is 150.7 secs Computing kpt #: 251 total cpu time spent up to now is 151.1 secs Computing kpt #: 252 total cpu time spent up to now is 151.5 secs Computing kpt #: 253 total cpu time spent up to now is 151.9 secs Computing kpt #: 254 total cpu time spent up to now is 152.3 secs Computing kpt #: 255 total cpu time spent up to now is 152.7 secs Computing kpt #: 256 total cpu time spent up to now is 153.2 secs Computing kpt #: 257 total cpu time spent up to now is 153.6 secs Computing kpt #: 258 total cpu time spent up to now is 154.0 secs Computing kpt #: 259 total cpu time spent up to now is 154.5 secs Computing kpt #: 260 total cpu time spent up to now is 154.9 secs Computing kpt #: 261 total cpu time spent up to now is 155.5 secs Computing kpt #: 262 total cpu time spent up to now is 156.0 secs Computing kpt #: 263 total cpu time spent up to now is 156.5 secs Computing kpt #: 264 total cpu time spent up to now is 157.0 secs Computing kpt #: 265 total cpu time spent up to now is 157.5 secs Computing kpt #: 266 total cpu time spent up to now is 158.1 secs Computing kpt #: 267 total cpu time spent up to now is 158.6 secs Computing kpt #: 268 total cpu time spent up to now is 159.1 secs Computing kpt #: 269 total cpu time spent up to now is 159.7 secs Computing kpt #: 270 total cpu time spent up to now is 160.2 secs Computing kpt #: 271 total cpu time spent up to now is 160.8 secs Computing kpt #: 272 total cpu time spent up to now is 161.2 secs Computing kpt #: 273 total cpu time spent up to now is 161.6 secs Computing kpt #: 274 total cpu time spent up to now is 162.0 secs Computing kpt #: 275 total cpu time spent up to now is 162.4 secs Computing kpt #: 276 total cpu time spent up to now is 162.9 secs Computing kpt #: 277 total cpu time spent up to now is 163.3 secs Computing kpt #: 278 total cpu time spent up to now is 163.7 secs Computing kpt #: 279 total cpu time spent up to now is 164.1 secs Computing kpt #: 280 total cpu time spent up to now is 164.5 secs Computing kpt #: 281 total cpu time spent up to now is 164.9 secs Computing kpt #: 282 total cpu time spent up to now is 165.3 secs Computing kpt #: 283 total cpu time spent up to now is 165.7 secs Computing kpt #: 284 total cpu time spent up to now is 166.1 secs Computing kpt #: 285 total cpu time spent up to now is 166.5 secs Computing kpt #: 286 total cpu time spent up to now is 166.9 secs Computing kpt #: 287 total cpu time spent up to now is 167.3 secs Computing kpt #: 288 total cpu time spent up to now is 167.8 secs Computing kpt #: 289 total cpu time spent up to now is 168.2 secs Computing kpt #: 290 total cpu time spent up to now is 168.7 secs Computing kpt #: 291 total cpu time spent up to now is 169.3 secs Computing kpt #: 292 total cpu time spent up to now is 169.8 secs Computing kpt #: 293 total cpu time spent up to now is 170.4 secs Computing kpt #: 294 total cpu time spent up to now is 170.9 secs Computing kpt #: 295 total cpu time spent up to now is 171.4 secs Computing kpt #: 296 total cpu time spent up to now is 171.9 secs Computing kpt #: 297 total cpu time spent up to now is 172.4 secs Computing kpt #: 298 total cpu time spent up to now is 172.9 secs Computing kpt #: 299 total cpu time spent up to now is 173.3 secs Computing kpt #: 300 total cpu time spent up to now is 173.8 secs Computing kpt #: 301 total cpu time spent up to now is 174.2 secs Computing kpt #: 302 total cpu time spent up to now is 174.7 secs Computing kpt #: 303 total cpu time spent up to now is 175.2 secs Computing kpt #: 304 total cpu time spent up to now is 175.7 secs Computing kpt #: 305 total cpu time spent up to now is 176.2 secs Computing kpt #: 306 total cpu time spent up to now is 176.7 secs Computing kpt #: 307 total cpu time spent up to now is 177.1 secs Computing kpt #: 308 total cpu time spent up to now is 177.8 secs Computing kpt #: 309 total cpu time spent up to now is 178.5 secs Computing kpt #: 310 total cpu time spent up to now is 179.2 secs Computing kpt #: 311 total cpu time spent up to now is 180.0 secs Computing kpt #: 312 total cpu time spent up to now is 180.5 secs Computing kpt #: 313 total cpu time spent up to now is 181.2 secs Computing kpt #: 314 total cpu time spent up to now is 181.7 secs Computing kpt #: 315 total cpu time spent up to now is 182.4 secs Computing kpt #: 316 total cpu time spent up to now is 183.2 secs Computing kpt #: 317 total cpu time spent up to now is 184.1 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 185.4 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.7 secs Computing kpt #: 320 total cpu time spent up to now is 187.8 secs ethr = 2.27E-08, avg # of iterations = 33.5 total cpu time spent up to now is 187.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3779 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9806 -13.9806 -13.9370 -13.9370 -4.0283 -4.0283 -2.9175 -2.9175 0.4775 0.4775 0.5067 0.5067 0.5943 0.5943 0.6057 0.6057 0.8500 0.8500 0.8667 0.8667 0.9482 0.9482 1.0617 1.0617 1.1298 1.1298 1.1389 1.1389 2.6257 2.6257 6.6505 6.6505 6.7952 6.7952 7.8657 7.8657 8.1415 8.1415 8.2031 8.2031 8.5373 8.5373 9.0448 9.0448 10.1745 10.1745 10.6538 10.6538 k = 0.0114 0.0066-0.0000 ( 3785 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9806 -13.9806 -13.9370 -13.9370 -4.0273 -4.0273 -2.9171 -2.9171 0.4776 0.4776 0.5068 0.5068 0.5938 0.5938 0.6062 0.6062 0.8498 0.8498 0.8669 0.8669 0.9483 0.9483 1.0617 1.0617 1.1295 1.1295 1.1388 1.1388 2.6273 2.6273 6.6426 6.6426 6.7871 6.7871 7.8589 7.8589 8.1325 8.1325 8.1887 8.1887 8.5495 8.5495 9.0642 9.0642 10.1789 10.1789 10.6596 10.6596 k = 0.0227 0.0131-0.0000 ( 3777 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9806 -13.9806 -13.9372 -13.9372 -4.0242 -4.0242 -2.9157 -2.9157 0.4778 0.4778 0.5070 0.5070 0.5926 0.5926 0.6074 0.6074 0.8495 0.8495 0.8676 0.8676 0.9487 0.9487 1.0619 1.0619 1.1289 1.1289 1.1387 1.1387 2.6319 2.6319 6.6164 6.6164 6.7667 6.7667 7.8359 7.8359 8.0969 8.0969 8.1623 8.1623 8.5853 8.5853 9.1158 9.1158 10.1920 10.1920 10.6767 10.6767 k = 0.0341 0.0197-0.0000 ( 3785 PWs) bands (ev): -33.0660 -33.0660 -14.3398 -14.3398 -13.9807 -13.9807 -13.9375 -13.9375 -4.0192 -4.0192 -2.9135 -2.9135 0.4781 0.4781 0.5075 0.5075 0.5910 0.5910 0.6091 0.6091 0.8490 0.8490 0.8685 0.8685 0.9494 0.9494 1.0622 1.0622 1.1276 1.1276 1.1384 1.1384 2.6396 2.6396 6.5670 6.5670 6.7424 6.7424 7.7891 7.7891 8.0380 8.0380 8.1400 8.1400 8.6427 8.6427 9.1862 9.1862 10.2131 10.2131 10.7041 10.7041 k = 0.0455 0.0262-0.0000 ( 3789 PWs) bands (ev): -33.0660 -33.0660 -14.3400 -14.3400 -13.9808 -13.9808 -13.9380 -13.9380 -4.0121 -4.0121 -2.9104 -2.9104 0.4786 0.4786 0.5081 0.5081 0.5892 0.5892 0.6111 0.6111 0.8485 0.8485 0.8698 0.8698 0.9503 0.9503 1.0626 1.0626 1.1258 1.1258 1.1382 1.1382 2.6504 2.6504 6.4935 6.4935 6.7197 6.7197 7.7110 7.7110 7.9800 7.9800 8.1161 8.1161 8.7180 8.7180 9.2635 9.2635 10.2412 10.2412 10.7401 10.7401 k = 0.0568 0.0328-0.0000 ( 3797 PWs) bands (ev): -33.0659 -33.0659 -14.3402 -14.3402 -13.9809 -13.9809 -13.9385 -13.9385 -4.0029 -4.0029 -2.9064 -2.9064 0.4792 0.4792 0.5089 0.5089 0.5873 0.5873 0.6132 0.6132 0.8479 0.8479 0.8713 0.8713 0.9514 0.9514 1.0631 1.0631 1.1233 1.1233 1.1381 1.1381 2.6641 2.6641 6.4003 6.4003 6.6986 6.6986 7.6038 7.6038 7.9315 7.9315 8.0877 8.0877 8.8071 8.8071 9.3402 9.3402 10.2750 10.2750 10.7827 10.7827 k = 0.0682 0.0394-0.0000 ( 3789 PWs) bands (ev): -33.0659 -33.0659 -14.3404 -14.3404 -13.9810 -13.9810 -13.9392 -13.9392 -3.9918 -3.9918 -2.9015 -2.9015 0.4801 0.4801 0.5099 0.5099 0.5854 0.5854 0.6154 0.6154 0.8473 0.8473 0.8730 0.8730 0.9528 0.9528 1.0638 1.0638 1.1204 1.1204 1.1381 1.1381 2.6808 2.6808 6.2930 6.2930 6.6775 6.6775 7.4774 7.4774 7.8887 7.8887 8.0544 8.0544 8.9057 8.9057 9.4118 9.4118 10.3126 10.3126 10.8310 10.8310 k = 0.0795 0.0459-0.0000 ( 3777 PWs) bands (ev): -33.0658 -33.0658 -14.3407 -14.3407 -13.9811 -13.9811 -13.9399 -13.9399 -3.9788 -3.9788 -2.8959 -2.8959 0.4810 0.4810 0.5111 0.5111 0.5835 0.5835 0.6176 0.6176 0.8469 0.8469 0.8749 0.8749 0.9544 0.9544 1.0645 1.0645 1.1169 1.1169 1.1383 1.1383 2.7004 2.7004 6.1756 6.1756 6.6551 6.6551 7.3402 7.3402 7.8470 7.8470 8.0166 8.0166 9.0098 9.0098 9.4765 9.4765 10.3527 10.3527 10.8848 10.8848 k = 0.0909 0.0525-0.0000 ( 3781 PWs) bands (ev): -33.0657 -33.0657 -14.3410 -14.3410 -13.9813 -13.9813 -13.9408 -13.9408 -3.9638 -3.9638 -2.8894 -2.8894 0.4820 0.4820 0.5124 0.5124 0.5817 0.5817 0.6199 0.6199 0.8465 0.8465 0.8768 0.8768 0.9562 0.9562 1.0652 1.0652 1.1130 1.1130 1.1386 1.1386 2.7229 2.7229 6.0510 6.0510 6.6311 6.6311 7.1972 7.1972 7.8042 7.8042 7.9747 7.9747 9.1159 9.1159 9.5338 9.5338 10.3942 10.3942 10.9435 10.9435 k = 0.1023 0.0590-0.0000 ( 3775 PWs) bands (ev): -33.0656 -33.0656 -14.3414 -14.3414 -13.9815 -13.9815 -13.9417 -13.9417 -3.9469 -3.9469 -2.8822 -2.8822 0.4832 0.4832 0.5140 0.5140 0.5800 0.5800 0.6223 0.6223 0.8462 0.8462 0.8788 0.8788 0.9582 0.9582 1.0659 1.0659 1.1089 1.1089 1.1390 1.1390 2.7480 2.7480 5.9212 5.9212 6.6052 6.6052 7.0513 7.0513 7.7593 7.7593 7.9294 7.9294 9.2208 9.2208 9.5838 9.5838 10.4365 10.4365 11.0062 11.0062 k = 0.1136 0.0656-0.0000 ( 3777 PWs) bands (ev): -33.0655 -33.0655 -14.3418 -14.3418 -13.9817 -13.9817 -13.9427 -13.9427 -3.9281 -3.9281 -2.8742 -2.8742 0.4845 0.4845 0.5157 0.5157 0.5783 0.5783 0.6246 0.6246 0.8460 0.8460 0.8809 0.8809 0.9603 0.9603 1.0664 1.0664 1.1047 1.1047 1.1396 1.1396 2.7758 2.7758 5.7878 5.7878 6.5772 6.5772 6.9043 6.9043 7.7122 7.7122 7.8811 7.8811 9.3211 9.3211 9.6276 9.6276 10.4799 10.4799 11.0713 11.0714 k = 0.1250 0.0722-0.0000 ( 3761 PWs) bands (ev): -33.0654 -33.0654 -14.3423 -14.3423 -13.9819 -13.9819 -13.9438 -13.9438 -3.9075 -3.9075 -2.8656 -2.8656 0.4860 0.4860 0.5176 0.5176 0.5769 0.5769 0.6271 0.6271 0.8461 0.8461 0.8830 0.8830 0.9625 0.9625 1.0666 1.0666 1.1007 1.1007 1.1403 1.1403 2.8061 2.8061 5.6518 5.6518 6.5470 6.5470 6.7576 6.7576 7.6630 7.6630 7.8302 7.8302 9.4131 9.4131 9.6663 9.6663 10.5252 10.5252 11.1320 11.1320 k = 0.1364 0.0787-0.0000 ( 3757 PWs) bands (ev): -33.0653 -33.0653 -14.3428 -14.3428 -13.9822 -13.9822 -13.9449 -13.9449 -3.8852 -3.8852 -2.8564 -2.8564 0.4875 0.4875 0.5196 0.5196 0.5755 0.5755 0.6295 0.6295 0.8462 0.8462 0.8852 0.8852 0.9647 0.9647 1.0662 1.0662 1.0972 1.0972 1.1412 1.1412 2.8388 2.8388 5.5141 5.5141 6.5138 6.5138 6.6130 6.6130 7.6119 7.6119 7.7772 7.7772 9.4919 9.4919 9.7024 9.7024 10.5733 10.5733 11.1483 11.1483 k = 0.1477 0.0853-0.0000 ( 3759 PWs) bands (ev): -33.0651 -33.0651 -14.3433 -14.3433 -13.9825 -13.9825 -13.9462 -13.9462 -3.8611 -3.8611 -2.8465 -2.8465 0.4892 0.4892 0.5218 0.5218 0.5743 0.5743 0.6320 0.6320 0.8465 0.8465 0.8874 0.8874 0.9670 0.9670 1.0648 1.0648 1.0946 1.0946 1.1422 1.1422 2.8739 2.8739 5.3754 5.3754 6.4535 6.4535 6.4952 6.4952 7.5590 7.5590 7.7224 7.7224 9.5516 9.5516 9.7404 9.7404 10.6254 10.6254 11.1547 11.1547 k = 0.1591 0.0919-0.0000 ( 3763 PWs) bands (ev): -33.0650 -33.0650 -14.3439 -14.3439 -13.9829 -13.9829 -13.9474 -13.9474 -3.8354 -3.8354 -2.8362 -2.8362 0.4909 0.4909 0.5242 0.5242 0.5732 0.5732 0.6345 0.6345 0.8470 0.8470 0.8897 0.8897 0.9691 0.9691 1.0622 1.0622 1.0932 1.0932 1.1434 1.1434 2.9111 2.9111 5.2362 5.2362 6.3188 6.3188 6.4526 6.4526 7.5048 7.5048 7.6663 7.6663 9.5871 9.5871 9.7845 9.7845 10.6819 10.6819 11.1675 11.1675 k = 0.1705 0.0984-0.0000 ( 3763 PWs) bands (ev): -33.0649 -33.0649 -14.3445 -14.3445 -13.9833 -13.9833 -13.9487 -13.9487 -3.8081 -3.8081 -2.8253 -2.8253 0.4928 0.4928 0.5268 0.5268 0.5723 0.5723 0.6370 0.6370 0.8476 0.8476 0.8920 0.8920 0.9713 0.9713 1.0584 1.0584 1.0931 1.0931 1.1449 1.1449 2.9503 2.9503 5.0970 5.0970 6.1792 6.1792 6.4158 6.4158 7.4492 7.4492 7.6092 7.6092 9.5994 9.5994 9.8342 9.8342 10.7423 10.7423 11.1869 11.1869 k = 0.1818 0.1050-0.0000 ( 3751 PWs) bands (ev): -33.0647 -33.0647 -14.3452 -14.3452 -13.9837 -13.9837 -13.9500 -13.9500 -3.7793 -3.7793 -2.8141 -2.8141 0.4949 0.4949 0.5296 0.5296 0.5717 0.5717 0.6396 0.6396 0.8485 0.8485 0.8944 0.8944 0.9733 0.9733 1.0538 1.0538 1.0939 1.0939 1.1467 1.1467 2.9914 2.9914 4.9582 4.9582 6.0417 6.0417 6.3788 6.3788 7.3926 7.3926 7.5515 7.5515 9.5937 9.5937 9.8858 9.8858 10.8050 10.8050 11.2122 11.2122 k = 0.1932 0.1115-0.0000 ( 3741 PWs) bands (ev): -33.0645 -33.0645 -14.3458 -14.3458 -13.9842 -13.9842 -13.9512 -13.9512 -3.7490 -3.7490 -2.8026 -2.8026 0.4971 0.4971 0.5327 0.5327 0.5712 0.5712 0.6423 0.6423 0.8495 0.8495 0.8968 0.8968 0.9751 0.9751 1.0486 1.0486 1.0953 1.0953 1.1489 1.1489 3.0342 3.0342 4.8202 4.8202 5.9070 5.9070 6.3411 6.3411 7.3349 7.3349 7.4936 7.4936 9.5752 9.5752 9.9365 9.9365 10.8680 10.8680 11.2421 11.2421 k = 0.2045 0.1181-0.0000 ( 3737 PWs) bands (ev): -33.0644 -33.0644 -14.3465 -14.3465 -13.9847 -13.9847 -13.9525 -13.9525 -3.7174 -3.7174 -2.7908 -2.7908 0.4994 0.4994 0.5358 0.5358 0.5708 0.5708 0.6450 0.6450 0.8507 0.8507 0.8992 0.8992 0.9766 0.9766 1.0432 1.0432 1.0972 1.0972 1.1515 1.1515 3.0784 3.0784 4.6832 4.6832 5.7756 5.7756 6.3029 6.3029 7.2762 7.2762 7.4359 7.4359 9.5475 9.5475 9.9853 9.9853 10.9288 10.9288 11.2755 11.2755 k = 0.2159 0.1247-0.0000 ( 3745 PWs) bands (ev): -33.0642 -33.0642 -14.3473 -14.3473 -13.9853 -13.9853 -13.9538 -13.9538 -3.6845 -3.6845 -2.7789 -2.7789 0.5018 0.5018 0.5391 0.5391 0.5706 0.5706 0.6477 0.6477 0.8520 0.8520 0.9015 0.9015 0.9778 0.9778 1.0377 1.0377 1.0992 1.0992 1.1545 1.1545 3.1238 3.1238 4.5477 4.5477 5.6478 5.6478 6.2643 6.2643 7.2164 7.2164 7.3787 7.3787 9.5130 9.5130 10.0320 10.0320 10.9855 10.9855 11.3110 11.3110 k = 0.2273 0.1312-0.0000 ( 3753 PWs) bands (ev): -33.0641 -33.0641 -14.3481 -14.3481 -13.9859 -13.9859 -13.9550 -13.9550 -3.6504 -3.6504 -2.7669 -2.7669 0.5044 0.5044 0.5427 0.5427 0.5706 0.5706 0.6504 0.6504 0.8535 0.8535 0.9039 0.9039 0.9787 0.9787 1.0323 1.0323 1.1013 1.1013 1.1580 1.1580 3.1701 3.1701 4.4140 4.4140 5.5240 5.5240 6.2255 6.2255 7.1556 7.1556 7.3226 7.3226 9.4739 9.4739 10.0768 10.0768 11.0368 11.0368 11.3476 11.3476 k = 0.2386 0.1378-0.0000 ( 3741 PWs) bands (ev): -33.0639 -33.0639 -14.3488 -14.3488 -13.9866 -13.9866 -13.9562 -13.9562 -3.6153 -3.6153 -2.7549 -2.7549 0.5072 0.5072 0.5465 0.5465 0.5708 0.5708 0.6533 0.6533 0.8553 0.8553 0.9063 0.9063 0.9791 0.9791 1.0272 1.0272 1.1034 1.1034 1.1622 1.1622 3.2168 3.2168 4.2824 4.2824 5.4046 5.4046 6.1867 6.1867 7.0935 7.0935 7.2678 7.2678 9.4317 9.4317 10.1197 10.1197 11.0816 11.0816 11.3842 11.3843 k = 0.2500 0.1443-0.0000 ( 3745 PWs) bands (ev): -33.0637 -33.0637 -14.3496 -14.3496 -13.9873 -13.9873 -13.9573 -13.9573 -3.5792 -3.5792 -2.7430 -2.7430 0.5100 0.5100 0.5504 0.5504 0.5712 0.5712 0.6561 0.6561 0.8572 0.8572 0.9087 0.9087 0.9790 0.9790 1.0225 1.0225 1.1054 1.1054 1.1668 1.1668 3.2634 3.2634 4.1535 4.1535 5.2899 5.2899 6.1481 6.1481 7.0303 7.0303 7.2148 7.2148 9.3876 9.3876 10.1609 10.1609 11.1198 11.1198 11.4202 11.4203 k = 0.2614 0.1509-0.0000 ( 3743 PWs) bands (ev): -33.0636 -33.0636 -14.3504 -14.3504 -13.9881 -13.9881 -13.9584 -13.9584 -3.5423 -3.5423 -2.7313 -2.7313 0.5131 0.5131 0.5546 0.5546 0.5717 0.5717 0.6591 0.6591 0.8593 0.8593 0.9111 0.9111 0.9783 0.9783 1.0184 1.0184 1.1072 1.1072 1.1720 1.1720 3.3092 3.3092 4.0276 4.0276 5.1805 5.1805 6.1099 6.1099 6.9659 6.9659 7.1636 7.1636 9.3425 9.3425 10.2003 10.2003 11.1508 11.1508 11.4556 11.4557 k = 0.2727 0.1575-0.0000 ( 3747 PWs) bands (ev): -33.0634 -33.0634 -14.3512 -14.3512 -13.9890 -13.9890 -13.9594 -13.9594 -3.5047 -3.5047 -2.7199 -2.7199 0.5162 0.5162 0.5589 0.5589 0.5725 0.5725 0.6622 0.6622 0.8616 0.8616 0.9134 0.9134 0.9770 0.9770 1.0149 1.0149 1.1089 1.1089 1.1776 1.1776 3.3530 3.3530 3.9058 3.9058 5.0770 5.0770 6.0721 6.0721 6.9003 6.9003 7.1146 7.1146 9.2972 9.2972 10.2381 10.2381 11.1745 11.1745 11.4915 11.4916 k = 0.2841 0.1640-0.0000 ( 3749 PWs) bands (ev): -33.0633 -33.0633 -14.3520 -14.3520 -13.9898 -13.9898 -13.9603 -13.9603 -3.4665 -3.4665 -2.7090 -2.7090 0.5194 0.5194 0.5632 0.5632 0.5736 0.5736 0.6654 0.6654 0.8640 0.8640 0.9157 0.9157 0.9751 0.9751 1.0122 1.0122 1.1105 1.1105 1.1836 1.1836 3.3926 3.3926 3.7897 3.7897 4.9801 4.9801 6.0351 6.0351 6.8338 6.8338 7.0679 7.0679 9.2523 9.2523 10.2740 10.2740 11.1904 11.1904 11.5280 11.5281 k = 0.2955 0.1706-0.0000 ( 3747 PWs) bands (ev): -33.0631 -33.0631 -14.3528 -14.3528 -13.9907 -13.9907 -13.9611 -13.9611 -3.4279 -3.4279 -2.6986 -2.6986 0.5228 0.5228 0.5673 0.5673 0.5754 0.5754 0.6687 0.6687 0.8666 0.8666 0.9180 0.9180 0.9727 0.9727 1.0101 1.0101 1.1120 1.1120 1.1899 1.1899 3.4227 3.4227 3.6841 3.6841 4.8907 4.8907 5.9990 5.9990 6.7663 6.7663 7.0234 7.0234 9.2082 9.2082 10.3082 10.3082 11.1980 11.1980 11.5649 11.5649 k = 0.3068 0.1771-0.0000 ( 3745 PWs) bands (ev): -33.0629 -33.0629 -14.3536 -14.3536 -13.9917 -13.9917 -13.9619 -13.9619 -3.3891 -3.3891 -2.6888 -2.6888 0.5261 0.5261 0.5704 0.5704 0.5785 0.5785 0.6722 0.6722 0.8692 0.8692 0.9202 0.9202 0.9700 0.9700 1.0085 1.0085 1.1135 1.1135 1.1964 1.1964 3.4259 3.4259 3.6056 3.6056 4.8099 4.8099 5.9639 5.9639 6.6982 6.6982 6.9813 6.9813 9.1652 9.1652 10.3404 10.3404 11.1967 11.1967 11.6023 11.6023 k = 0.3182 0.1837-0.0000 ( 3749 PWs) bands (ev): -33.0628 -33.0628 -14.3544 -14.3544 -13.9926 -13.9926 -13.9626 -13.9626 -3.3501 -3.3501 -2.6798 -2.6798 0.5295 0.5295 0.5723 0.5723 0.5829 0.5829 0.6760 0.6760 0.8720 0.8720 0.9222 0.9222 0.9672 0.9672 1.0075 1.0075 1.1148 1.1148 1.2029 1.2029 3.3745 3.3745 3.5806 3.5806 4.7390 4.7390 5.9301 5.9301 6.6296 6.6296 6.9414 6.9414 9.1238 9.1238 10.3708 10.3708 11.1867 11.1867 11.6412 11.6412 k = 0.3295 0.1903-0.0000 ( 3747 PWs) bands (ev): -33.0626 -33.0626 -14.3552 -14.3552 -13.9936 -13.9936 -13.9632 -13.9632 -3.3113 -3.3113 -2.6716 -2.6716 0.5328 0.5328 0.5737 0.5737 0.5881 0.5881 0.6800 0.6800 0.8747 0.8747 0.9241 0.9241 0.9646 0.9646 1.0068 1.0068 1.1162 1.1162 1.2093 1.2093 3.2881 3.2881 3.5888 3.5888 4.6796 4.6796 5.8975 5.8975 6.5607 6.5607 6.9040 6.9040 9.0840 9.0840 10.3993 10.3993 11.1686 11.1686 11.6824 11.6824 k = 0.3409 0.1968-0.0000 ( 3747 PWs) bands (ev): -33.0625 -33.0625 -14.3559 -14.3559 -13.9945 -13.9945 -13.9637 -13.9637 -3.2726 -3.2726 -2.6643 -2.6643 0.5361 0.5361 0.5748 0.5748 0.5938 0.5938 0.6843 0.6843 0.8773 0.8773 0.9256 0.9256 0.9624 0.9624 1.0064 1.0064 1.1175 1.1175 1.2154 1.2154 3.1939 3.1939 3.6015 3.6015 4.6330 4.6330 5.8664 5.8664 6.4917 6.4917 6.8689 6.8689 9.0462 9.0462 10.4259 10.4259 11.1434 11.1434 11.7261 11.7261 k = 0.3523 0.2034-0.0000 ( 3743 PWs) bands (ev): -33.0624 -33.0624 -14.3566 -14.3566 -13.9955 -13.9955 -13.9642 -13.9642 -3.2345 -3.2345 -2.6581 -2.6581 0.5393 0.5393 0.5757 0.5757 0.5996 0.5996 0.6890 0.6890 0.8799 0.8799 0.9266 0.9266 0.9611 0.9611 1.0063 1.0063 1.1190 1.1190 1.2211 1.2211 3.1005 3.1005 3.6094 3.6094 4.6005 4.6005 5.8369 5.8369 6.4228 6.4228 6.8361 6.8361 9.0104 9.0104 10.4507 10.4507 11.1125 11.1125 11.7725 11.7725 k = 0.3636 0.2099-0.0000 ( 3738 PWs) bands (ev): -33.0622 -33.0622 -14.3573 -14.3573 -13.9964 -13.9964 -13.9646 -13.9646 -3.1970 -3.1970 -2.6530 -2.6530 0.5424 0.5424 0.5765 0.5765 0.6055 0.6055 0.6942 0.6942 0.8822 0.8822 0.9270 0.9270 0.9608 0.9608 1.0064 1.0064 1.1206 1.1206 1.2262 1.2262 3.0106 3.0106 3.6095 3.6095 4.5826 4.5826 5.8091 5.8091 6.3542 6.3542 6.8058 6.8058 8.9768 8.9768 10.4739 10.4739 11.0776 11.0776 11.8214 11.8214 k = 0.3750 0.2165-0.0000 ( 3734 PWs) bands (ev): -33.0621 -33.0621 -14.3580 -14.3580 -13.9972 -13.9972 -13.9650 -13.9650 -3.1604 -3.1604 -2.6490 -2.6490 0.5454 0.5454 0.5772 0.5772 0.6112 0.6112 0.6998 0.6998 0.8843 0.8843 0.9266 0.9266 0.9619 0.9619 1.0068 1.0068 1.1223 1.1223 1.2304 1.2304 2.9254 2.9254 3.6013 3.6013 4.5788 4.5788 5.7832 5.7832 6.2863 6.2863 6.7778 6.7778 8.9454 8.9454 10.4954 10.4954 11.0402 11.0402 11.8724 11.8724 k = 0.3864 0.2231-0.0000 ( 3728 PWs) bands (ev): -33.0620 -33.0620 -14.3586 -14.3586 -13.9980 -13.9980 -13.9653 -13.9653 -3.1250 -3.1250 -2.6463 -2.6463 0.5483 0.5483 0.5777 0.5777 0.6167 0.6167 0.7058 0.7058 0.8861 0.8861 0.9253 0.9253 0.9642 0.9642 1.0074 1.0074 1.1242 1.1242 1.2335 1.2335 2.8457 2.8457 3.5856 3.5856 4.5877 4.5877 5.7592 5.7592 6.2193 6.2193 6.7522 6.7522 8.9165 8.9165 10.5156 10.5156 11.0015 11.0015 11.9249 11.9250 k = 0.3977 0.2296-0.0000 ( 3728 PWs) bands (ev): -33.0619 -33.0619 -14.3591 -14.3591 -13.9988 -13.9988 -13.9656 -13.9656 -3.0909 -3.0909 -2.6449 -2.6449 0.5510 0.5510 0.5780 0.5780 0.6219 0.6219 0.7122 0.7122 0.8876 0.8876 0.9233 0.9233 0.9676 0.9676 1.0084 1.0084 1.1264 1.1264 1.2354 1.2354 2.7721 2.7721 3.5644 3.5644 4.6072 4.6072 5.7371 5.7371 6.1538 6.1538 6.7289 6.7289 8.8900 8.8900 10.5344 10.5344 10.9628 10.9628 11.9783 11.9784 k = 0.4091 0.2362-0.0000 ( 3716 PWs) bands (ev): -33.0618 -33.0618 -14.3596 -14.3596 -13.9995 -13.9995 -13.9658 -13.9658 -3.0585 -3.0585 -2.6447 -2.6447 0.5536 0.5536 0.5782 0.5782 0.6265 0.6265 0.7188 0.7188 0.8889 0.8889 0.9209 0.9209 0.9717 0.9717 1.0098 1.0098 1.1291 1.1291 1.2359 1.2359 2.7051 2.7051 3.5395 3.5395 4.6347 4.6347 5.7173 5.7173 6.0901 6.0901 6.7081 6.7081 8.8661 8.8661 10.5522 10.5522 10.9250 10.9250 12.0318 12.0318 k = 0.4205 0.2427-0.0000 ( 3714 PWs) bands (ev): -33.0617 -33.0617 -14.3601 -14.3601 -14.0002 -14.0002 -13.9660 -13.9660 -3.0281 -3.0281 -2.6456 -2.6456 0.5560 0.5560 0.5782 0.5782 0.6307 0.6307 0.7256 0.7256 0.8900 0.8900 0.9182 0.9182 0.9759 0.9759 1.0119 1.0119 1.1321 1.1321 1.2348 1.2348 2.6451 2.6451 3.5132 3.5132 4.6677 4.6677 5.6996 5.6996 6.0289 6.0289 6.6897 6.6897 8.8448 8.8448 10.5690 10.5690 10.8887 10.8887 12.0843 12.0843 k = 0.4318 0.2493-0.0000 ( 3718 PWs) bands (ev): -33.0616 -33.0616 -14.3605 -14.3605 -14.0007 -14.0007 -13.9662 -13.9662 -3.0001 -3.0001 -2.6476 -2.6476 0.5583 0.5583 0.5780 0.5780 0.6343 0.6343 0.7322 0.7322 0.8909 0.8909 0.9153 0.9153 0.9799 0.9799 1.0145 1.0145 1.1357 1.1357 1.2320 1.2320 2.5924 2.5924 3.4870 3.4870 4.7038 4.7038 5.6841 5.6841 5.9711 5.9711 6.6738 6.6738 8.8262 8.8262 10.5851 10.5851 10.8545 10.8545 12.1347 12.1347 k = 0.4432 0.2559-0.0000 ( 3712 PWs) bands (ev): -33.0616 -33.0616 -14.3609 -14.3609 -14.0012 -14.0012 -13.9664 -13.9664 -2.9749 -2.9749 -2.6504 -2.6504 0.5604 0.5604 0.5777 0.5777 0.6373 0.6373 0.7384 0.7384 0.8918 0.8918 0.9124 0.9124 0.9834 0.9834 1.0179 1.0179 1.1401 1.1401 1.2278 1.2278 2.5473 2.5473 3.4627 3.4627 4.7406 4.7406 5.6710 5.6710 5.9178 5.9178 6.6603 6.6603 8.8103 8.8103 10.6007 10.6007 10.8228 10.8228 12.1815 12.1815 k = 0.4545 0.2624-0.0000 ( 3704 PWs) bands (ev): -33.0615 -33.0615 -14.3611 -14.3611 -14.0016 -14.0016 -13.9665 -13.9665 -2.9529 -2.9529 -2.6538 -2.6538 0.5624 0.5624 0.5772 0.5772 0.6398 0.6398 0.7441 0.7441 0.8928 0.8928 0.9095 0.9095 0.9860 0.9860 1.0216 1.0216 1.1452 1.1452 1.2221 1.2221 2.5102 2.5102 3.4413 3.4413 4.7755 4.7755 5.6603 5.6603 5.8704 5.8704 6.6492 6.6492 8.7973 8.7973 10.6159 10.6159 10.7939 10.7939 12.2231 12.2231 k = 0.4659 0.2690-0.0000 ( 3706 PWs) bands (ev): -33.0615 -33.0615 -14.3614 -14.3614 -14.0019 -14.0019 -13.9666 -13.9666 -2.9349 -2.9349 -2.6572 -2.6572 0.5641 0.5641 0.5766 0.5766 0.6417 0.6417 0.7487 0.7487 0.8938 0.8938 0.9067 0.9067 0.9879 0.9879 1.0253 1.0253 1.1509 1.1509 1.2154 1.2154 2.4812 2.4812 3.4237 3.4237 4.8064 4.8064 5.6521 5.6521 5.8304 5.8304 6.6406 6.6406 8.7871 8.7871 10.6307 10.6307 10.7680 10.7680 12.2578 12.2578 k = 0.4773 0.2756-0.0000 ( 3718 PWs) bands (ev): -33.0614 -33.0614 -14.3616 -14.3616 -14.0022 -14.0022 -13.9666 -13.9666 -2.9213 -2.9213 -2.6602 -2.6602 0.5654 0.5654 0.5760 0.5760 0.6431 0.6431 0.7522 0.7522 0.8948 0.8948 0.9042 0.9042 0.9891 0.9891 1.0283 1.0283 1.1569 1.1569 1.2085 1.2085 2.4604 2.4604 3.4107 3.4107 4.8307 4.8307 5.6462 5.6462 5.7998 5.7998 6.6344 6.6344 8.7798 8.7798 10.6448 10.6448 10.7459 10.7459 12.2839 12.2839 k = 0.4886 0.2821-0.0000 ( 3716 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0023 -14.0023 -13.9667 -13.9667 -2.9128 -2.9128 -2.6622 -2.6622 0.5663 0.5663 0.5756 0.5756 0.6439 0.6439 0.7544 0.7544 0.8960 0.8960 0.9023 0.9023 0.9898 0.9898 1.0303 1.0303 1.1621 1.1621 1.2026 1.2026 2.4478 2.4478 3.4027 3.4027 4.8464 4.8464 5.6428 5.6428 5.7805 5.7805 6.6307 6.6307 8.7754 8.7754 10.6567 10.6567 10.7291 10.7291 12.3001 12.3001 k = 0.5000 0.2887-0.0000 ( 3718 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9100 -2.9100 -2.6630 -2.6630 0.5666 0.5666 0.5754 0.5754 0.6441 0.6441 0.7552 0.7552 0.8965 0.8965 0.9014 0.9014 0.9900 0.9900 1.0310 1.0310 1.1643 1.1643 1.2000 1.2000 2.4437 2.4437 3.4000 3.4000 4.8518 4.8518 5.6416 5.6416 5.7738 5.7738 6.6295 6.6295 8.7739 8.7739 10.6621 10.6621 10.7221 10.7221 12.3056 12.3056 k = 0.5000 0.2887-0.0000 ( 3718 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9100 -2.9100 -2.6630 -2.6630 0.5666 0.5666 0.5754 0.5754 0.6441 0.6441 0.7552 0.7552 0.8965 0.8965 0.9014 0.9014 0.9900 0.9900 1.0310 1.0310 1.1643 1.1643 1.2000 1.2000 2.4437 2.4437 3.4000 3.4000 4.8518 4.8518 5.6416 5.6416 5.7738 5.7738 6.6295 6.6295 8.7739 8.7739 10.6621 10.6621 10.7221 10.7221 12.3056 12.3056 k = 0.4936 0.2998-0.0000 ( 3718 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9095 -2.9095 -2.6628 -2.6628 0.5666 0.5666 0.5755 0.5755 0.6440 0.6440 0.7553 0.7553 0.8958 0.8958 0.9023 0.9023 0.9900 0.9900 1.0313 1.0313 1.1642 1.1642 1.2003 1.2003 2.4448 2.4448 3.3995 3.3995 4.8528 4.8528 5.6318 5.6318 5.7741 5.7741 6.6256 6.6256 8.7859 8.7859 10.6648 10.6648 10.7227 10.7227 12.3075 12.3075 k = 0.4872 0.3109-0.0000 ( 3716 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0023 -14.0023 -13.9669 -13.9669 -2.9081 -2.9081 -2.6624 -2.6624 0.5668 0.5668 0.5758 0.5758 0.6436 0.6436 0.7555 0.7555 0.8945 0.8945 0.9041 0.9041 0.9899 0.9899 1.0319 1.0319 1.1637 1.1637 1.2009 1.2009 2.4482 2.4482 3.3978 3.3978 4.8560 4.8560 5.6030 5.6030 5.7747 5.7747 6.6143 6.6143 8.8214 8.8214 10.6730 10.6730 10.7244 10.7244 12.3133 12.3133 k = 0.4808 0.3220-0.0000 ( 3720 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0022 -14.0022 -13.9671 -13.9671 -2.9058 -2.9058 -2.6616 -2.6616 0.5669 0.5669 0.5763 0.5763 0.6428 0.6428 0.7558 0.7558 0.8931 0.8931 0.9064 0.9064 0.9898 0.9898 1.0330 1.0330 1.1629 1.1629 1.2021 1.2021 2.4539 2.4539 3.3950 3.3950 4.8613 4.8613 5.5566 5.5566 5.7755 5.7755 6.5956 6.5956 8.8790 8.8790 10.6860 10.6860 10.7274 10.7274 12.3225 12.3225 k = 0.4744 0.3331-0.0000 ( 3708 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0020 -14.0020 -13.9675 -13.9675 -2.9026 -2.9026 -2.6605 -2.6605 0.5673 0.5673 0.5770 0.5770 0.6419 0.6419 0.7563 0.7563 0.8920 0.8920 0.9087 0.9087 0.9897 0.9897 1.0344 1.0344 1.1620 1.1620 1.2036 1.2036 2.4619 2.4619 3.3910 3.3910 4.8686 4.8686 5.4949 5.4949 5.7764 5.7764 6.5702 6.5702 8.9564 8.9564 10.7029 10.7029 10.7316 10.7316 12.3331 12.3331 k = 0.4679 0.3442-0.0000 ( 3708 PWs) bands (ev): -33.0614 -33.0614 -14.3618 -14.3618 -14.0018 -14.0018 -13.9679 -13.9679 -2.8985 -2.8985 -2.6592 -2.6592 0.5676 0.5676 0.5777 0.5777 0.6407 0.6407 0.7569 0.7569 0.8911 0.8911 0.9111 0.9111 0.9896 0.9896 1.0362 1.0362 1.1610 1.1610 1.2055 1.2055 2.4721 2.4721 3.3859 3.3859 4.8780 4.8780 5.4201 5.4201 5.7773 5.7773 6.5387 6.5387 9.0512 9.0512 10.7219 10.7219 10.7380 10.7380 12.3299 12.3299 k = 0.4615 0.3553-0.0000 ( 3716 PWs) bands (ev): -33.0614 -33.0614 -14.3618 -14.3618 -14.0015 -14.0015 -13.9685 -13.9685 -2.8936 -2.8936 -2.6577 -2.6577 0.5681 0.5681 0.5786 0.5786 0.6393 0.6393 0.7576 0.7576 0.8905 0.8905 0.9135 0.9135 0.9894 0.9894 1.0380 1.0380 1.1599 1.1599 1.2077 1.2077 2.4846 2.4846 3.3796 3.3796 4.8892 4.8892 5.3350 5.3350 5.7782 5.7782 6.5018 6.5018 9.1608 9.1608 10.7370 10.7370 10.7514 10.7514 12.2732 12.2732 k = 0.4551 0.3664-0.0000 ( 3716 PWs) bands (ev): -33.0613 -33.0613 -14.3619 -14.3619 -14.0012 -14.0012 -13.9691 -13.9691 -2.8878 -2.8878 -2.6560 -2.6560 0.5687 0.5687 0.5797 0.5797 0.6377 0.6377 0.7583 0.7583 0.8902 0.8902 0.9159 0.9159 0.9891 0.9891 1.0400 1.0400 1.1589 1.1589 1.2103 1.2103 2.4992 2.4992 3.3720 3.3720 4.9022 4.9022 5.2420 5.2420 5.7789 5.7789 6.4602 6.4602 9.2825 9.2825 10.7458 10.7458 10.7729 10.7729 12.1905 12.1905 k = 0.4487 0.3775-0.0000 ( 3718 PWs) bands (ev): -33.0613 -33.0613 -14.3619 -14.3619 -14.0009 -14.0009 -13.9698 -13.9698 -2.8812 -2.8812 -2.6541 -2.6541 0.5693 0.5693 0.5808 0.5808 0.6361 0.6361 0.7592 0.7592 0.8902 0.8902 0.9182 0.9182 0.9889 0.9889 1.0420 1.0420 1.1581 1.1581 1.2132 1.2132 2.5161 2.5161 3.3633 3.3633 4.9160 4.9160 5.1441 5.1441 5.7792 5.7792 6.4150 6.4150 9.4138 9.4138 10.7538 10.7538 10.7960 10.7960 12.0978 12.0978 k = 0.4423 0.3886-0.0000 ( 3722 PWs) bands (ev): -33.0613 -33.0613 -14.3620 -14.3620 -14.0005 -14.0005 -13.9706 -13.9706 -2.8738 -2.8738 -2.6522 -2.6522 0.5701 0.5701 0.5820 0.5820 0.6344 0.6344 0.7601 0.7601 0.8904 0.8904 0.9205 0.9205 0.9886 0.9886 1.0438 1.0438 1.1575 1.1575 1.2165 1.2165 2.5350 2.5350 3.3533 3.3533 4.9271 4.9271 5.0467 5.0467 5.7791 5.7791 6.3669 6.3669 9.5526 9.5526 10.7620 10.7620 10.8184 10.8184 12.0003 12.0003 k = 0.4359 0.3997-0.0000 ( 3720 PWs) bands (ev): -33.0613 -33.0613 -14.3620 -14.3620 -14.0000 -14.0000 -13.9715 -13.9715 -2.8657 -2.8657 -2.6502 -2.6502 0.5710 0.5710 0.5832 0.5832 0.6326 0.6326 0.7611 0.7611 0.8909 0.8909 0.9229 0.9229 0.9882 0.9882 1.0454 1.0454 1.1572 1.1572 1.2202 1.2202 2.5561 2.5561 3.3419 3.3419 4.9019 4.9019 4.9851 4.9851 5.7783 5.7783 6.3169 6.3169 9.6968 9.6968 10.7707 10.7707 10.8394 10.8394 11.9010 11.9010 k = 0.4295 0.4108-0.0000 ( 3720 PWs) bands (ev): -33.0612 -33.0612 -14.3621 -14.3621 -13.9996 -13.9996 -13.9724 -13.9724 -2.8569 -2.8569 -2.6483 -2.6483 0.5718 0.5718 0.5846 0.5846 0.6308 0.6308 0.7621 0.7621 0.8915 0.8915 0.9252 0.9252 0.9879 0.9879 1.0466 1.0466 1.1572 1.1572 1.2243 1.2243 2.5792 2.5792 3.3293 3.3293 4.8097 4.8097 4.9912 4.9912 5.7766 5.7766 6.2656 6.2656 9.8444 9.8444 10.7797 10.7797 10.8584 10.8584 11.8024 11.8024 k = 0.4231 0.4219-0.0000 ( 3720 PWs) bands (ev): -33.0612 -33.0612 -14.3622 -14.3622 -13.9991 -13.9991 -13.9733 -13.9733 -2.8475 -2.8475 -2.6465 -2.6465 0.5728 0.5728 0.5860 0.5860 0.6291 0.6291 0.7632 0.7632 0.8923 0.8923 0.9277 0.9277 0.9875 0.9875 1.0473 1.0473 1.1574 1.1574 1.2288 1.2288 2.6042 2.6042 3.3154 3.3154 4.7051 4.7051 5.0119 5.0119 5.7738 5.7738 6.2141 6.2141 9.9936 9.9936 10.7887 10.7887 10.8751 10.8751 11.7063 11.7063 k = 0.4167 0.4330-0.0000 ( 3720 PWs) bands (ev): -33.0612 -33.0612 -14.3623 -14.3623 -13.9985 -13.9985 -13.9744 -13.9744 -2.8375 -2.8375 -2.6449 -2.6449 0.5737 0.5737 0.5875 0.5875 0.6274 0.6274 0.7644 0.7644 0.8931 0.8931 0.9303 0.9303 0.9871 0.9871 1.0476 1.0476 1.1579 1.1579 1.2338 1.2338 2.6311 2.6311 3.3002 3.3002 4.5995 4.5995 5.0365 5.0365 5.7696 5.7696 6.1628 6.1628 10.1427 10.1427 10.7976 10.7976 10.8897 10.8897 11.6144 11.6144 k = 0.4103 0.4441-0.0000 ( 3720 PWs) bands (ev): -33.0611 -33.0611 -14.3624 -14.3624 -13.9980 -13.9980 -13.9754 -13.9754 -2.8270 -2.8270 -2.6436 -2.6436 0.5746 0.5746 0.5891 0.5891 0.6257 0.6257 0.7656 0.7656 0.8938 0.8938 0.9331 0.9331 0.9866 0.9866 1.0474 1.0474 1.1586 1.1586 1.2391 1.2391 2.6597 2.6597 3.2838 3.2838 4.4954 4.4954 5.0638 5.0638 5.7639 5.7639 6.1126 6.1126 10.2896 10.2896 10.8062 10.8062 10.9022 10.9022 11.5280 11.5280 k = 0.4038 0.4552-0.0000 ( 3724 PWs) bands (ev): -33.0611 -33.0611 -14.3625 -14.3625 -13.9974 -13.9974 -13.9765 -13.9765 -2.8160 -2.8160 -2.6427 -2.6427 0.5754 0.5754 0.5908 0.5908 0.6241 0.6241 0.7668 0.7668 0.8945 0.8945 0.9362 0.9362 0.9861 0.9861 1.0467 1.0467 1.1595 1.1595 1.2447 1.2447 2.6899 2.6899 3.2662 3.2662 4.3942 4.3942 5.0932 5.0932 5.7564 5.7564 6.0640 6.0640 10.4324 10.4324 10.8142 10.8142 10.9129 10.9129 11.4486 11.4486 k = 0.3974 0.4663-0.0000 ( 3720 PWs) bands (ev): -33.0611 -33.0611 -14.3625 -14.3625 -13.9967 -13.9967 -13.9776 -13.9776 -2.8047 -2.8047 -2.6423 -2.6423 0.5762 0.5762 0.5926 0.5926 0.6226 0.6226 0.7681 0.7681 0.8950 0.8950 0.9395 0.9395 0.9856 0.9856 1.0456 1.0456 1.1605 1.1605 1.2505 1.2505 2.7215 2.7215 3.2474 3.2474 4.2967 4.2967 5.1246 5.1246 5.7468 5.7468 6.0176 6.0176 10.5680 10.5680 10.8219 10.8219 10.9224 10.9224 11.3782 11.3782 k = 0.3910 0.4774-0.0000 ( 3732 PWs) bands (ev): -33.0610 -33.0610 -14.3627 -14.3627 -13.9961 -13.9961 -13.9787 -13.9787 -2.7930 -2.7930 -2.6424 -2.6424 0.5769 0.5769 0.5944 0.5944 0.6212 0.6212 0.7694 0.7694 0.8954 0.8954 0.9430 0.9430 0.9850 0.9850 1.0442 1.0442 1.1615 1.1615 1.2564 1.2564 2.7541 2.7541 3.2276 3.2276 4.2039 4.2039 5.1577 5.1577 5.7349 5.7349 5.9738 5.9738 10.6897 10.6897 10.8325 10.8325 10.9314 10.9314 11.3193 11.3193 k = 0.3846 0.4885-0.0000 ( 3728 PWs) bands (ev): -33.0610 -33.0610 -14.3627 -14.3627 -13.9954 -13.9954 -13.9798 -13.9798 -2.7811 -2.7811 -2.6432 -2.6432 0.5774 0.5774 0.5963 0.5963 0.6199 0.6199 0.7707 0.7707 0.8957 0.8957 0.9467 0.9467 0.9844 0.9844 1.0425 1.0425 1.1626 1.1626 1.2623 1.2623 2.7876 2.7876 3.2070 3.2070 4.1168 4.1168 5.1926 5.1926 5.7206 5.7206 5.9330 5.9330 10.7720 10.7720 10.8646 10.8646 10.9420 10.9420 11.2762 11.2762 k = 0.3782 0.4996-0.0000 ( 3732 PWs) bands (ev): -33.0610 -33.0610 -14.3628 -14.3628 -13.9947 -13.9947 -13.9809 -13.9809 -2.7690 -2.7690 -2.6448 -2.6448 0.5779 0.5779 0.5983 0.5983 0.6186 0.6186 0.7719 0.7719 0.8958 0.8958 0.9506 0.9506 0.9837 0.9837 1.0408 1.0408 1.1637 1.1637 1.2678 1.2678 2.8214 2.8214 3.1857 3.1857 4.0362 4.0362 5.2291 5.2291 5.7038 5.7038 5.8955 5.8955 10.7923 10.7923 10.9197 10.9197 10.9665 10.9665 11.2576 11.2576 k = 0.3718 0.5107-0.0000 ( 3736 PWs) bands (ev): -33.0609 -33.0609 -14.3629 -14.3629 -13.9940 -13.9940 -13.9820 -13.9820 -2.7568 -2.7568 -2.6473 -2.6473 0.5783 0.5783 0.6002 0.6002 0.6174 0.6174 0.7731 0.7731 0.8958 0.8958 0.9546 0.9546 0.9829 0.9829 1.0389 1.0389 1.1648 1.1648 1.2730 1.2730 2.8551 2.8551 3.1640 3.1640 3.9631 3.9631 5.2671 5.2671 5.6844 5.6844 5.8614 5.8614 10.7896 10.7896 10.9403 10.9403 11.0099 11.0099 11.2769 11.2769 k = 0.3654 0.5218-0.0000 ( 3736 PWs) bands (ev): -33.0609 -33.0609 -14.3630 -14.3630 -13.9933 -13.9933 -13.9830 -13.9830 -2.7447 -2.7447 -2.6507 -2.6507 0.5786 0.5786 0.6021 0.6021 0.6162 0.6162 0.7742 0.7742 0.8956 0.8956 0.9585 0.9585 0.9821 0.9821 1.0372 1.0372 1.1659 1.1659 1.2776 1.2776 2.8880 2.8880 3.1422 3.1422 3.8986 3.8986 5.3064 5.3064 5.6624 5.6624 5.8310 5.8310 10.7798 10.7798 10.9498 10.9498 11.0307 11.0307 11.3361 11.3361 k = 0.3590 0.5329-0.0000 ( 3724 PWs) bands (ev): -33.0609 -33.0609 -14.3630 -14.3630 -13.9926 -13.9926 -13.9839 -13.9839 -2.7326 -2.7326 -2.6553 -2.6553 0.5789 0.5789 0.6040 0.6040 0.6151 0.6151 0.7753 0.7753 0.8955 0.8955 0.9623 0.9623 0.9812 0.9812 1.0356 1.0356 1.1669 1.1669 1.2816 1.2816 2.9191 2.9191 3.1208 3.1208 3.8437 3.8437 5.3468 5.3468 5.6378 5.6378 5.8045 5.8045 10.7671 10.7671 10.9581 10.9581 11.0335 11.0335 11.4162 11.4162 k = 0.3526 0.5440-0.0000 ( 3728 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9920 -13.9920 -13.9848 -13.9848 -2.7207 -2.7207 -2.6610 -2.6610 0.5790 0.5790 0.6058 0.6058 0.6140 0.6140 0.7762 0.7762 0.8952 0.8952 0.9658 0.9658 0.9802 0.9802 1.0343 1.0343 1.1679 1.1679 1.2846 1.2846 2.9474 2.9474 3.1005 3.1005 3.7996 3.7996 5.3879 5.3879 5.6104 5.6104 5.7824 5.7824 10.7543 10.7543 10.9663 10.9663 11.0299 11.0299 11.5009 11.5009 k = 0.3462 0.5551-0.0000 ( 3724 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9914 -13.9914 -13.9855 -13.9855 -2.7090 -2.7090 -2.6681 -2.6681 0.5792 0.5792 0.6075 0.6075 0.6129 0.6129 0.7769 0.7769 0.8950 0.8950 0.9687 0.9687 0.9793 0.9793 1.0332 1.0332 1.1687 1.1687 1.2868 1.2868 2.9711 2.9711 3.0825 3.0825 3.7674 3.7674 5.4293 5.4293 5.5800 5.5800 5.7653 5.7653 10.7434 10.7434 10.9750 10.9750 11.0240 11.0240 11.5820 11.5820 k = 0.3397 0.5662-0.0000 ( 3722 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9910 -13.9910 -13.9860 -13.9860 -2.6978 -2.6978 -2.6764 -2.6764 0.5792 0.5792 0.6090 0.6090 0.6118 0.6118 0.7773 0.7773 0.8949 0.8949 0.9707 0.9707 0.9785 0.9785 1.0326 1.0326 1.1693 1.1693 1.2881 1.2881 2.9877 2.9877 3.0691 3.0691 3.7478 3.7478 5.4703 5.4703 5.5466 5.5466 5.7541 5.7541 10.7360 10.7360 10.9835 10.9835 11.0174 11.0174 11.6521 11.6521 k = 0.3333 0.5774-0.0000 ( 3726 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9909 -13.9909 -13.9862 -13.9862 -2.6888 -2.6888 -2.6844 -2.6844 0.5793 0.5793 0.6099 0.6099 0.6110 0.6110 0.7775 0.7775 0.8948 0.8948 0.9714 0.9714 0.9781 0.9781 1.0324 1.0324 1.1695 1.1695 1.2885 1.2885 2.9936 2.9936 3.0642 3.0642 3.7413 3.7413 5.5074 5.5074 5.5124 5.5124 5.7500 5.7500 10.7334 10.7334 10.9882 10.9882 11.0134 11.0134 11.6900 11.6900 k = 0.3333 0.5774-0.0000 ( 3726 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9909 -13.9909 -13.9862 -13.9862 -2.6888 -2.6888 -2.6844 -2.6844 0.5793 0.5793 0.6099 0.6099 0.6110 0.6110 0.7775 0.7775 0.8948 0.8948 0.9714 0.9714 0.9781 0.9781 1.0324 1.0324 1.1695 1.1695 1.2885 1.2885 2.9936 2.9936 3.0642 3.0642 3.7413 3.7413 5.5074 5.5074 5.5124 5.5124 5.7500 5.7500 10.7334 10.7334 10.9882 10.9882 11.0134 11.0134 11.6900 11.6900 k = 0.3268 0.5660-0.0000 ( 3722 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9910 -13.9910 -13.9860 -13.9860 -2.6985 -2.6985 -2.6757 -2.6757 0.5792 0.5792 0.6090 0.6090 0.6117 0.6117 0.7773 0.7773 0.8949 0.8949 0.9707 0.9707 0.9784 0.9784 1.0326 1.0326 1.1692 1.1692 1.2881 1.2881 2.9888 2.9888 3.0683 3.0683 3.7479 3.7479 5.4692 5.4692 5.5471 5.5471 5.7548 5.7548 10.7363 10.7363 10.9817 10.9817 11.0190 11.0190 11.6636 11.6636 k = 0.3203 0.5547-0.0000 ( 3722 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9914 -13.9914 -13.9855 -13.9855 -2.7119 -2.7119 -2.6658 -2.6658 0.5792 0.5792 0.6077 0.6077 0.6125 0.6125 0.7767 0.7767 0.8952 0.8952 0.9691 0.9691 0.9787 0.9787 1.0331 1.0331 1.1682 1.1682 1.2872 1.2872 2.9789 2.9789 3.0772 3.0772 3.7669 3.7669 5.4255 5.4255 5.5791 5.5791 5.7705 5.7705 10.7450 10.7450 10.9662 10.9662 11.0315 11.0315 11.6253 11.6253 k = 0.3137 0.5434-0.0000 ( 3724 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9918 -13.9918 -13.9849 -13.9849 -2.7270 -2.7270 -2.6565 -2.6565 0.5791 0.5791 0.6063 0.6063 0.6131 0.6131 0.7757 0.7757 0.8956 0.8956 0.9667 0.9667 0.9788 0.9788 1.0338 1.0338 1.1663 1.1663 1.2859 1.2859 2.9684 2.9684 3.0881 3.0881 3.7971 3.7971 5.3789 5.3789 5.6053 5.6053 5.7976 5.7976 10.7594 10.7594 10.9458 10.9458 11.0467 11.0467 11.5859 11.5859 k = 0.3072 0.5321-0.0000 ( 3726 PWs) bands (ev): -33.0609 -33.0609 -14.3630 -14.3630 -13.9923 -13.9923 -13.9841 -13.9841 -2.7439 -2.7439 -2.6479 -2.6479 0.5789 0.5789 0.6048 0.6048 0.6133 0.6133 0.7742 0.7742 0.8963 0.8963 0.9640 0.9640 0.9786 0.9786 1.0345 1.0345 1.1635 1.1635 1.2846 1.2846 2.9596 2.9596 3.1006 3.1006 3.8366 3.8366 5.3298 5.3298 5.6269 5.6269 5.8349 5.8349 10.7782 10.7782 10.9224 10.9224 11.0637 11.0637 11.5466 11.5466 k = 0.3007 0.5207-0.0000 ( 3734 PWs) bands (ev): -33.0609 -33.0609 -14.3629 -14.3629 -13.9928 -13.9928 -13.9833 -13.9833 -2.7627 -2.7627 -2.6402 -2.6402 0.5787 0.5787 0.6031 0.6031 0.6132 0.6132 0.7722 0.7722 0.8973 0.8973 0.9608 0.9608 0.9780 0.9780 1.0350 1.0350 1.1596 1.1596 1.2833 1.2833 2.9534 2.9534 3.1153 3.1153 3.8841 3.8841 5.2787 5.2787 5.6461 5.6461 5.8798 5.8798 10.7976 10.7976 10.9001 10.9001 11.0821 11.0821 11.5077 11.5077 k = 0.2941 0.5094-0.0000 ( 3736 PWs) bands (ev): -33.0610 -33.0610 -14.3627 -14.3627 -13.9932 -13.9932 -13.9825 -13.9825 -2.7833 -2.7833 -2.6333 -2.6333 0.5784 0.5784 0.6013 0.6013 0.6128 0.6128 0.7697 0.7697 0.8985 0.8985 0.9573 0.9573 0.9773 0.9773 1.0351 1.0351 1.1549 1.1549 1.2822 1.2822 2.9508 2.9508 3.1329 3.1329 3.9378 3.9378 5.2261 5.2261 5.6651 5.6651 5.9301 5.9301 10.8035 10.8035 10.8929 10.8929 11.1014 11.1014 11.4696 11.4696 k = 0.2876 0.4981-0.0000 ( 3730 PWs) bands (ev): -33.0610 -33.0610 -14.3625 -14.3625 -13.9935 -13.9935 -13.9816 -13.9816 -2.8057 -2.8057 -2.6274 -2.6274 0.5781 0.5781 0.5994 0.5994 0.6121 0.6121 0.7666 0.7666 0.9001 0.9001 0.9535 0.9535 0.9763 0.9763 1.0349 1.0349 1.1495 1.1495 1.2812 1.2812 2.9521 2.9521 3.1538 3.1538 3.9966 3.9966 5.1726 5.1726 5.6852 5.6852 5.9841 5.9841 10.7823 10.7823 10.9148 10.9148 11.1209 11.1209 11.4329 11.4329 k = 0.2810 0.4868-0.0000 ( 3734 PWs) bands (ev): -33.0611 -33.0611 -14.3623 -14.3623 -13.9938 -13.9938 -13.9807 -13.9807 -2.8299 -2.8299 -2.6224 -2.6224 0.5776 0.5776 0.5974 0.5974 0.6111 0.6111 0.7630 0.7630 0.9018 0.9018 0.9493 0.9493 0.9751 0.9751 1.0341 1.0341 1.1438 1.1438 1.2802 1.2802 2.9580 2.9580 3.1784 3.1784 4.0593 4.0593 5.1189 5.1189 5.7073 5.7073 6.0409 6.0409 10.7457 10.7457 10.9538 10.9538 11.1395 11.1395 11.3988 11.3988 k = 0.2745 0.4755-0.0000 ( 3734 PWs) bands (ev): -33.0611 -33.0611 -14.3620 -14.3620 -13.9940 -13.9940 -13.9798 -13.9798 -2.8559 -2.8559 -2.6185 -2.6185 0.5770 0.5770 0.5951 0.5951 0.6097 0.6097 0.7589 0.7589 0.9038 0.9038 0.9450 0.9450 0.9737 0.9737 1.0329 1.0329 1.1381 1.1381 1.2791 1.2791 2.9688 2.9688 3.2066 3.2066 4.1248 4.1248 5.0660 5.0660 5.7318 5.7318 6.0999 6.0999 10.7026 10.7026 11.0008 11.0008 11.1550 11.1550 11.3692 11.3692 k = 0.2680 0.4641-0.0000 ( 3742 PWs) bands (ev): -33.0612 -33.0612 -14.3617 -14.3617 -13.9942 -13.9942 -13.9789 -13.9789 -2.8837 -2.8837 -2.6157 -2.6157 0.5763 0.5763 0.5926 0.5926 0.6081 0.6081 0.7543 0.7543 0.9059 0.9059 0.9404 0.9404 0.9721 0.9721 1.0310 1.0310 1.1328 1.1328 1.2776 1.2776 2.9847 2.9847 3.2383 3.2383 4.1919 4.1919 5.0149 5.0149 5.7589 5.7589 6.1605 6.1605 10.6563 10.6563 11.0521 11.0521 11.1638 11.1638 11.3478 11.3478 k = 0.2614 0.4528-0.0000 ( 3736 PWs) bands (ev): -33.0613 -33.0613 -14.3614 -14.3614 -13.9942 -13.9942 -13.9780 -13.9780 -2.9130 -2.9130 -2.6140 -2.6140 0.5754 0.5754 0.5899 0.5899 0.6063 0.6063 0.7494 0.7494 0.9082 0.9082 0.9359 0.9359 0.9702 0.9702 1.0288 1.0288 1.1282 1.1282 1.2756 1.2756 3.0061 3.0061 3.2731 3.2731 4.2593 4.2593 4.9674 4.9674 5.7887 5.7887 6.2226 6.2226 10.6079 10.6079 11.1045 11.1045 11.1622 11.1622 11.3391 11.3391 k = 0.2549 0.4415-0.0000 ( 3736 PWs) bands (ev): -33.0614 -33.0614 -14.3610 -14.3610 -13.9942 -13.9942 -13.9770 -13.9770 -2.9439 -2.9439 -2.6134 -2.6134 0.5744 0.5744 0.5870 0.5870 0.6044 0.6044 0.7440 0.7440 0.9103 0.9103 0.9315 0.9315 0.9680 0.9680 1.0264 1.0264 1.1242 1.1242 1.2729 1.2729 3.0331 3.0331 3.3104 3.3104 4.3249 4.3249 4.9259 4.9259 5.8213 5.8213 6.2858 6.2858 10.5584 10.5584 11.1360 11.1360 11.1678 11.1678 11.3442 11.3442 k = 0.2484 0.4302-0.0000 ( 3744 PWs) bands (ev): -33.0615 -33.0615 -14.3605 -14.3605 -13.9942 -13.9942 -13.9761 -13.9761 -2.9763 -2.9763 -2.6139 -2.6139 0.5730 0.5730 0.5838 0.5838 0.6024 0.6024 0.7383 0.7383 0.9118 0.9118 0.9278 0.9278 0.9656 0.9656 1.0239 1.0239 1.1209 1.1209 1.2695 1.2695 3.0657 3.0657 3.3493 3.3493 4.3859 4.3859 4.8938 4.8938 5.8567 5.8567 6.3501 6.3501 10.5083 10.5083 11.1148 11.1148 11.2115 11.2115 11.3595 11.3595 k = 0.2418 0.4189-0.0000 ( 3753 PWs) bands (ev): -33.0616 -33.0616 -14.3601 -14.3601 -13.9940 -13.9940 -13.9751 -13.9751 -3.0100 -3.0100 -2.6155 -2.6155 0.5714 0.5714 0.5805 0.5805 0.6004 0.6004 0.7324 0.7324 0.9116 0.9116 0.9259 0.9259 0.9628 0.9628 1.0216 1.0216 1.1183 1.1183 1.2654 1.2654 3.1041 3.1041 3.3889 3.3889 4.4382 4.4382 4.8762 4.8762 5.8949 5.8949 6.4152 6.4152 10.4583 10.4583 11.0838 11.0838 11.2490 11.2490 11.3800 11.3800 k = 0.2353 0.4075-0.0000 ( 3753 PWs) bands (ev): -33.0617 -33.0617 -14.3596 -14.3596 -13.9938 -13.9938 -13.9741 -13.9741 -3.0450 -3.0450 -2.6181 -2.6181 0.5692 0.5692 0.5772 0.5772 0.5984 0.5984 0.7264 0.7264 0.9092 0.9092 0.9264 0.9264 0.9598 0.9598 1.0195 1.0195 1.1163 1.1163 1.2605 1.2605 3.1483 3.1483 3.4277 3.4277 4.4772 4.4772 4.8789 4.8789 5.9357 5.9357 6.4810 6.4810 10.4088 10.4088 11.0492 11.0492 11.2709 11.2709 11.4023 11.4023 k = 0.2288 0.3962-0.0000 ( 3759 PWs) bands (ev): -33.0618 -33.0618 -14.3590 -14.3590 -13.9935 -13.9935 -13.9732 -13.9732 -3.0810 -3.0810 -2.6219 -2.6219 0.5664 0.5664 0.5741 0.5741 0.5964 0.5964 0.7203 0.7203 0.9053 0.9053 0.9284 0.9284 0.9567 0.9567 1.0179 1.0179 1.1147 1.1147 1.2549 1.2549 3.1981 3.1981 3.4642 3.4642 4.5010 4.5010 4.9052 4.9052 5.9792 5.9792 6.5474 6.5474 10.3600 10.3600 11.0129 11.0129 11.2752 11.2752 11.4244 11.4244 k = 0.2222 0.3849-0.0000 ( 3755 PWs) bands (ev): -33.0619 -33.0619 -14.3584 -14.3584 -13.9932 -13.9932 -13.9721 -13.9721 -3.1180 -3.1180 -2.6266 -2.6266 0.5627 0.5627 0.5716 0.5716 0.5944 0.5944 0.7142 0.7142 0.9009 0.9009 0.9310 0.9310 0.9537 0.9537 1.0166 1.0166 1.1135 1.1135 1.2488 1.2488 3.2534 3.2534 3.4964 3.4964 4.5140 4.5140 4.9525 4.9525 6.0253 6.0253 6.6142 6.6142 10.3124 10.3124 10.9757 10.9757 11.2653 11.2653 11.4448 11.4448 k = 0.2157 0.3736-0.0000 ( 3755 PWs) bands (ev): -33.0620 -33.0620 -14.3578 -14.3578 -13.9928 -13.9928 -13.9711 -13.9711 -3.1558 -3.1558 -2.6324 -2.6324 0.5584 0.5584 0.5694 0.5694 0.5925 0.5925 0.7083 0.7083 0.8964 0.8964 0.9333 0.9333 0.9513 0.9513 1.0157 1.0157 1.1126 1.1126 1.2421 1.2421 3.3139 3.3139 3.5223 3.5223 4.5240 4.5240 5.0150 5.0150 6.0739 6.0739 6.6812 6.6812 10.2663 10.2663 10.9381 10.9381 11.2457 11.2457 11.4618 11.4618 k = 0.2092 0.3623-0.0000 ( 3747 PWs) bands (ev): -33.0622 -33.0622 -14.3571 -14.3571 -13.9923 -13.9923 -13.9701 -13.9701 -3.1942 -3.1942 -2.6391 -2.6391 0.5538 0.5538 0.5673 0.5673 0.5905 0.5905 0.7025 0.7025 0.8920 0.8920 0.9346 0.9346 0.9501 0.9501 1.0152 1.0152 1.1119 1.1119 1.2350 1.2350 3.3792 3.3792 3.5402 3.5402 4.5383 4.5383 5.0871 5.0871 6.1249 6.1249 6.7485 6.7485 10.2217 10.2217 10.9002 10.9002 11.2196 11.2196 11.4739 11.4739 k = 0.2026 0.3509-0.0000 ( 3751 PWs) bands (ev): -33.0623 -33.0623 -14.3564 -14.3564 -13.9918 -13.9918 -13.9690 -13.9690 -3.2331 -3.2331 -2.6466 -2.6466 0.5490 0.5490 0.5654 0.5654 0.5885 0.5885 0.6969 0.6969 0.8877 0.8877 0.9340 0.9340 0.9508 0.9508 1.0150 1.0150 1.1112 1.1112 1.2275 1.2275 3.4476 3.4476 3.5502 3.5502 4.5619 4.5619 5.1651 5.1651 6.1783 6.1783 6.8157 6.8157 10.1791 10.1791 10.8622 10.8622 11.1892 11.1892 11.4796 11.4796 k = 0.1961 0.3396-0.0000 ( 3755 PWs) bands (ev): -33.0625 -33.0625 -14.3557 -14.3557 -13.9913 -13.9913 -13.9679 -13.9679 -3.2724 -3.2724 -2.6550 -2.6550 0.5442 0.5442 0.5633 0.5633 0.5864 0.5864 0.6916 0.6916 0.8836 0.8836 0.9320 0.9320 0.9532 0.9532 1.0150 1.0150 1.1106 1.1106 1.2199 1.2199 3.5076 3.5076 3.5631 3.5631 4.5975 4.5975 5.2466 5.2466 6.2340 6.2340 6.8828 6.8828 10.1385 10.1385 10.8240 10.8240 11.1556 11.1556 11.4777 11.4777 k = 0.1895 0.3283-0.0000 ( 3743 PWs) bands (ev): -33.0626 -33.0626 -14.3550 -14.3550 -13.9907 -13.9907 -13.9668 -13.9668 -3.3119 -3.3119 -2.6641 -2.6641 0.5394 0.5394 0.5614 0.5614 0.5844 0.5844 0.6865 0.6865 0.8797 0.8797 0.9292 0.9292 0.9565 0.9565 1.0154 1.0154 1.1100 1.1100 1.2122 1.2122 3.5166 3.5166 3.6217 3.6217 4.6459 4.6459 5.3301 5.3301 6.2919 6.2919 6.9496 6.9496 10.1000 10.1000 10.7855 10.7855 11.1198 11.1198 11.4676 11.4676 k = 0.1830 0.3170-0.0000 ( 3743 PWs) bands (ev): -33.0628 -33.0628 -14.3542 -14.3542 -13.9901 -13.9901 -13.9656 -13.9656 -3.3514 -3.3514 -2.6739 -2.6739 0.5347 0.5347 0.5593 0.5593 0.5824 0.5824 0.6817 0.6817 0.8760 0.8760 0.9261 0.9261 0.9601 0.9601 1.0161 1.0161 1.1094 1.1094 1.2046 1.2046 3.4978 3.4978 3.7037 3.7037 4.7067 4.7067 5.4147 5.4147 6.3519 6.3519 7.0159 7.0159 10.0639 10.0639 10.7464 10.7464 11.0823 11.0823 11.4491 11.4491 k = 0.1765 0.3057-0.0000 ( 3743 PWs) bands (ev): -33.0629 -33.0629 -14.3534 -14.3534 -13.9895 -13.9895 -13.9645 -13.9645 -3.3908 -3.3908 -2.6843 -2.6843 0.5302 0.5302 0.5571 0.5571 0.5805 0.5805 0.6771 0.6771 0.8726 0.8726 0.9230 0.9230 0.9637 0.9637 1.0171 1.0171 1.1086 1.1086 1.1971 1.1971 3.4689 3.4689 3.7929 3.7929 4.7788 4.7788 5.4996 5.4996 6.4139 6.4139 7.0816 7.0816 10.0301 10.0301 10.7064 10.7064 11.0437 11.0437 11.4226 11.4226 k = 0.1699 0.2943-0.0000 ( 3743 PWs) bands (ev): -33.0631 -33.0631 -14.3526 -14.3526 -13.9889 -13.9889 -13.9633 -13.9633 -3.4300 -3.4300 -2.6952 -2.6952 0.5259 0.5259 0.5548 0.5548 0.5787 0.5787 0.6728 0.6728 0.8694 0.8694 0.9199 0.9199 0.9671 0.9671 1.0185 1.0185 1.1077 1.1077 1.1899 1.1899 3.4336 3.4336 3.8871 3.8871 4.8608 4.8608 5.5842 5.5842 6.4778 6.4778 7.1466 7.1466 9.9986 9.9986 10.6650 10.6650 11.0042 11.0042 11.3895 11.3895 k = 0.1634 0.2830-0.0000 ( 3747 PWs) bands (ev): -33.0633 -33.0633 -14.3519 -14.3519 -13.9883 -13.9883 -13.9621 -13.9621 -3.4689 -3.4689 -2.7066 -2.7066 0.5218 0.5218 0.5524 0.5524 0.5770 0.5770 0.6688 0.6688 0.8664 0.8664 0.9168 0.9168 0.9702 0.9702 1.0203 1.0203 1.1067 1.1067 1.1831 1.1831 3.3937 3.3937 3.9856 3.9856 4.9515 4.9515 5.6680 5.6680 6.5436 6.5436 7.2106 7.2106 9.9695 9.9695 10.6215 10.6215 10.9644 10.9644 11.3513 11.3513 k = 0.1569 0.2717-0.0000 ( 3751 PWs) bands (ev): -33.0634 -33.0634 -14.3511 -14.3511 -13.9877 -13.9877 -13.9608 -13.9608 -3.5072 -3.5072 -2.7183 -2.7183 0.5179 0.5179 0.5499 0.5499 0.5755 0.5755 0.6649 0.6649 0.8636 0.8636 0.9138 0.9138 0.9729 0.9729 1.0226 1.0226 1.1054 1.1054 1.1768 1.1768 3.3507 3.3507 4.0882 4.0882 5.0497 5.0497 5.7506 5.7506 6.6111 6.6111 7.2734 7.2734 9.9426 9.9426 10.5752 10.5752 10.9245 10.9245 11.3100 11.3100 k = 0.1503 0.2604-0.0000 ( 3753 PWs) bands (ev): -33.0636 -33.0636 -14.3503 -14.3503 -13.9871 -13.9871 -13.9595 -13.9595 -3.5448 -3.5448 -2.7302 -2.7302 0.5143 0.5143 0.5474 0.5474 0.5743 0.5743 0.6613 0.6613 0.8610 0.8610 0.9110 0.9110 0.9749 0.9749 1.0254 1.0254 1.1040 1.1040 1.1710 1.1710 3.3057 3.3057 4.1945 4.1945 5.1544 5.1544 5.8316 5.8316 6.6802 6.6802 7.3350 7.3350 9.9179 9.9179 10.5250 10.5250 10.8848 10.8848 11.2678 11.2678 k = 0.1438 0.2491-0.0000 ( 3755 PWs) bands (ev): -33.0638 -33.0638 -14.3495 -14.3495 -13.9865 -13.9865 -13.9582 -13.9582 -3.5817 -3.5817 -2.7424 -2.7424 0.5109 0.5109 0.5447 0.5447 0.5732 0.5732 0.6578 0.6578 0.8586 0.8586 0.9083 0.9083 0.9763 0.9763 1.0289 1.0289 1.1024 1.1024 1.1658 1.1658 3.2595 3.2595 4.3043 4.3043 5.2648 5.2648 5.9107 5.9107 6.7507 6.7507 7.3951 7.3951 9.8950 9.8950 10.4701 10.4701 10.8456 10.8456 11.2266 11.2266 k = 0.1373 0.2377-0.0000 ( 3753 PWs) bands (ev): -33.0639 -33.0639 -14.3487 -14.3487 -13.9860 -13.9860 -13.9569 -13.9569 -3.6177 -3.6177 -2.7546 -2.7546 0.5077 0.5077 0.5420 0.5420 0.5724 0.5724 0.6545 0.6545 0.8565 0.8565 0.9057 0.9057 0.9771 0.9771 1.0328 1.0328 1.1006 1.1006 1.1612 1.1612 3.2129 3.2129 4.4175 4.4175 5.3802 5.3802 5.9875 5.9875 6.8226 6.8226 7.4535 7.4535 9.8738 9.8738 10.4095 10.4095 10.8072 10.8072 11.1882 11.1882 k = 0.1307 0.2264-0.0000 ( 3751 PWs) bands (ev): -33.0641 -33.0641 -14.3480 -14.3480 -13.9854 -13.9854 -13.9555 -13.9555 -3.6528 -3.6528 -2.7669 -2.7669 0.5048 0.5048 0.5393 0.5393 0.5719 0.5719 0.6513 0.6513 0.8546 0.8546 0.9031 0.9031 0.9772 0.9772 1.0373 1.0373 1.0987 1.0987 1.1572 1.1572 3.1664 3.1664 4.5338 4.5338 5.5000 5.5000 6.0619 6.0619 6.8956 6.8956 7.5101 7.5101 9.8538 9.8538 10.3427 10.3427 10.7697 10.7697 11.1542 11.1542 k = 0.1242 0.2151-0.0000 ( 3749 PWs) bands (ev): -33.0642 -33.0642 -14.3472 -14.3472 -13.9849 -13.9849 -13.9541 -13.9541 -3.6867 -3.6867 -2.7791 -2.7791 0.5021 0.5021 0.5366 0.5366 0.5716 0.5716 0.6483 0.6483 0.8529 0.8529 0.9007 0.9007 0.9768 0.9768 1.0420 1.0420 1.0967 1.0967 1.1537 1.1537 3.1204 3.1204 4.6529 4.6529 5.6236 5.6236 6.1337 6.1337 6.9696 6.9696 7.5648 7.5648 9.8347 9.8347 10.2690 10.2690 10.7334 10.7334 11.1254 11.1254 k = 0.1176 0.2038-0.0000 ( 3745 PWs) bands (ev): -33.0644 -33.0644 -14.3465 -14.3465 -13.9844 -13.9844 -13.9528 -13.9528 -3.7194 -3.7194 -2.7911 -2.7911 0.4995 0.4995 0.5339 0.5339 0.5715 0.5715 0.6454 0.6454 0.8514 0.8514 0.8983 0.8983 0.9759 0.9759 1.0469 1.0469 1.0949 1.0949 1.1508 1.1508 3.0753 3.0753 4.7747 4.7747 5.7502 5.7502 6.2029 6.2029 7.0443 7.0443 7.6173 7.6173 9.8159 9.8159 10.1886 10.1886 10.6983 10.6983 11.1026 11.1026 k = 0.1111 0.1925-0.0000 ( 3747 PWs) bands (ev): -33.0646 -33.0646 -14.3458 -14.3458 -13.9840 -13.9840 -13.9514 -13.9514 -3.7509 -3.7509 -2.8030 -2.8030 0.4971 0.4971 0.5312 0.5312 0.5717 0.5717 0.6425 0.6425 0.8500 0.8500 0.8960 0.8960 0.9746 0.9746 1.0518 1.0518 1.0933 1.0933 1.1484 1.1484 3.0313 3.0313 4.8989 4.8989 5.8791 5.8791 6.2698 6.2698 7.1196 7.1196 7.6676 7.6676 9.7969 9.7969 10.1015 10.1015 10.6644 10.6644 11.0858 11.0858 k = 0.1046 0.1811-0.0000 ( 3747 PWs) bands (ev): -33.0647 -33.0647 -14.3451 -14.3451 -13.9835 -13.9835 -13.9500 -13.9500 -3.7810 -3.7810 -2.8146 -2.8146 0.4949 0.4949 0.5286 0.5286 0.5721 0.5721 0.6398 0.6398 0.8489 0.8489 0.8937 0.8937 0.9730 0.9730 1.0565 1.0565 1.0921 1.0921 1.1463 1.1463 2.9889 2.9889 5.0252 5.0252 6.0090 6.0090 6.3352 6.3352 7.1951 7.1951 7.7155 7.7155 9.7772 9.7772 10.0083 10.0083 10.6315 10.6315 11.0748 11.0748 k = 0.0980 0.1698-0.0000 ( 3755 PWs) bands (ev): -33.0649 -33.0649 -14.3445 -14.3445 -13.9832 -13.9832 -13.9487 -13.9487 -3.8097 -3.8097 -2.8258 -2.8258 0.4928 0.4928 0.5261 0.5261 0.5727 0.5727 0.6371 0.6371 0.8480 0.8480 0.8915 0.8915 0.9711 0.9711 1.0606 1.0606 1.0916 1.0916 1.1446 1.1446 2.9480 2.9480 5.1533 5.1533 6.1374 6.1374 6.4011 6.4011 7.2706 7.2706 7.7610 7.7610 9.7562 9.7562 9.9097 9.9097 10.5997 10.5997 11.0690 11.0690 k = 0.0915 0.1585-0.0000 ( 3747 PWs) bands (ev): -33.0650 -33.0650 -14.3438 -14.3438 -13.9828 -13.9828 -13.9474 -13.9474 -3.8368 -3.8368 -2.8366 -2.8366 0.4910 0.4910 0.5238 0.5238 0.5735 0.5735 0.6345 0.6345 0.8473 0.8473 0.8893 0.8893 0.9690 0.9690 1.0639 1.0639 1.0921 1.0921 1.1432 1.1432 2.9090 2.9090 5.2829 5.2829 6.2592 6.2592 6.4722 6.4722 7.3456 7.3456 7.8041 7.8041 9.7327 9.7327 9.8068 9.8068 10.5686 10.5686 11.0677 11.0677 k = 0.0850 0.1472-0.0000 ( 3755 PWs) bands (ev): -33.0651 -33.0651 -14.3433 -14.3433 -13.9825 -13.9825 -13.9461 -13.9461 -3.8623 -3.8623 -2.8469 -2.8469 0.4891 0.4891 0.5215 0.5215 0.5745 0.5745 0.6320 0.6320 0.8467 0.8467 0.8871 0.8871 0.9669 0.9669 1.0659 1.0659 1.0939 1.0939 1.1420 1.1420 2.8721 2.8721 5.4135 5.4135 6.3644 6.3644 6.5579 6.5579 7.4198 7.4198 7.8447 7.8447 9.6908 9.6908 9.7158 9.7158 10.5380 10.5380 11.0693 11.0693 k = 0.0784 0.1358-0.0000 ( 3761 PWs) bands (ev): -33.0653 -33.0653 -14.3428 -14.3428 -13.9822 -13.9822 -13.9449 -13.9449 -3.8862 -3.8862 -2.8567 -2.8567 0.4875 0.4875 0.5194 0.5194 0.5756 0.5756 0.6295 0.6295 0.8463 0.8463 0.8850 0.8850 0.9646 0.9646 1.0669 1.0669 1.0968 1.0968 1.1410 1.1410 2.8373 2.8373 5.5447 5.5447 6.4447 6.4447 6.6664 6.6664 7.4928 7.4928 7.8829 7.8829 9.5848 9.5848 9.6827 9.6827 10.5075 10.5075 11.0719 11.0719 k = 0.0719 0.1245-0.0000 ( 3767 PWs) bands (ev): -33.0654 -33.0654 -14.3423 -14.3423 -13.9819 -13.9819 -13.9438 -13.9438 -3.9084 -3.9084 -2.8660 -2.8660 0.4859 0.4859 0.5174 0.5174 0.5770 0.5770 0.6270 0.6270 0.8461 0.8461 0.8828 0.8828 0.9624 0.9624 1.0670 1.0670 1.1006 1.1006 1.1402 1.1402 2.8048 2.8048 5.6758 5.6758 6.5038 6.5038 6.7933 6.7933 7.5638 7.5638 7.9188 7.9188 9.4716 9.4716 9.6506 9.6506 10.4769 10.4769 11.0716 11.0716 k = 0.0654 0.1132-0.0000 ( 3771 PWs) bands (ev): -33.0655 -33.0655 -14.3418 -14.3418 -13.9817 -13.9817 -13.9427 -13.9427 -3.9289 -3.9289 -2.8745 -2.8745 0.4845 0.4845 0.5156 0.5156 0.5785 0.5785 0.6246 0.6246 0.8461 0.8461 0.8807 0.8807 0.9602 0.9602 1.0666 1.0666 1.1047 1.1047 1.1395 1.1395 2.7747 2.7747 5.8063 5.8063 6.5502 6.5502 6.9298 6.9298 7.6323 7.6323 7.9525 7.9525 9.3567 9.3567 9.6144 9.6144 10.4455 10.4455 11.0620 11.0620 k = 0.0588 0.1019-0.0000 ( 3771 PWs) bands (ev): -33.0656 -33.0656 -14.3414 -14.3414 -13.9815 -13.9815 -13.9416 -13.9416 -3.9475 -3.9475 -2.8824 -2.8824 0.4832 0.4832 0.5139 0.5139 0.5801 0.5801 0.6222 0.6222 0.8463 0.8463 0.8787 0.8787 0.9581 0.9581 1.0659 1.0659 1.1090 1.1090 1.1390 1.1390 2.7471 2.7471 5.9351 5.9351 6.5886 6.5886 7.0703 7.0703 7.6977 7.6977 7.9842 7.9842 9.2412 9.2412 9.5730 9.5730 10.4131 10.4131 11.0349 11.0349 k = 0.0523 0.0906-0.0000 ( 3775 PWs) bands (ev): -33.0657 -33.0657 -14.3410 -14.3410 -13.9813 -13.9813 -13.9407 -13.9407 -3.9643 -3.9643 -2.8896 -2.8896 0.4820 0.4820 0.5124 0.5124 0.5818 0.5818 0.6199 0.6199 0.8465 0.8465 0.8767 0.8767 0.9562 0.9562 1.0652 1.0652 1.1131 1.1131 1.1386 1.1386 2.7221 2.7221 6.0611 6.0611 6.6213 6.6213 7.2117 7.2117 7.7592 7.7592 8.0143 8.0143 9.1266 9.1266 9.5253 9.5253 10.3793 10.3793 10.9888 10.9888 k = 0.0458 0.0792-0.0000 ( 3771 PWs) bands (ev): -33.0658 -33.0658 -14.3407 -14.3407 -13.9811 -13.9811 -13.9399 -13.9399 -3.9791 -3.9791 -2.8960 -2.8960 0.4810 0.4810 0.5111 0.5111 0.5836 0.5836 0.6176 0.6176 0.8469 0.8469 0.8748 0.8748 0.9544 0.9544 1.0645 1.0645 1.1170 1.1170 1.1383 1.1383 2.6999 2.6999 6.1827 6.1827 6.6498 6.6498 7.3512 7.3512 7.8165 7.8165 8.0429 8.0429 9.0146 9.0146 9.4704 9.4704 10.3442 10.3442 10.9307 10.9308 k = 0.0392 0.0679-0.0000 ( 3779 PWs) bands (ev): -33.0659 -33.0659 -14.3404 -14.3404 -13.9810 -13.9810 -13.9391 -13.9391 -3.9921 -3.9921 -2.9016 -2.9016 0.4801 0.4801 0.5099 0.5099 0.5855 0.5855 0.6154 0.6154 0.8474 0.8474 0.8730 0.8730 0.9528 0.9528 1.0638 1.0638 1.1205 1.1205 1.1382 1.1382 2.6804 2.6804 6.2978 6.2978 6.6748 6.6748 7.4853 7.4853 7.8701 7.8701 8.0702 8.0702 8.9072 8.9072 9.4077 9.4077 10.3082 10.3082 10.8634 10.8635 k = 0.0327 0.0566-0.0000 ( 3789 PWs) bands (ev): -33.0659 -33.0659 -14.3402 -14.3402 -13.9809 -13.9809 -13.9385 -13.9385 -4.0031 -4.0031 -2.9065 -2.9065 0.4793 0.4793 0.5089 0.5089 0.5873 0.5873 0.6131 0.6131 0.8479 0.8479 0.8713 0.8713 0.9514 0.9514 1.0631 1.0631 1.1234 1.1234 1.1381 1.1381 2.6639 2.6639 6.4033 6.4033 6.6976 6.6976 7.6089 7.6089 7.9218 7.9218 8.0959 8.0959 8.8071 8.8071 9.3375 9.3375 10.2729 10.2729 10.7979 10.7979 k = 0.0261 0.0453-0.0000 ( 3785 PWs) bands (ev): -33.0660 -33.0660 -14.3399 -14.3399 -13.9808 -13.9808 -13.9380 -13.9380 -4.0122 -4.0122 -2.9104 -2.9104 0.4786 0.4786 0.5081 0.5081 0.5892 0.5892 0.6111 0.6111 0.8485 0.8485 0.8698 0.8698 0.9503 0.9503 1.0626 1.0626 1.1258 1.1258 1.1382 1.1382 2.6502 2.6502 6.4952 6.4952 6.7196 6.7196 7.7137 7.7137 7.9762 7.9762 8.1196 8.1196 8.7175 8.7175 9.2619 9.2619 10.2404 10.2404 10.7450 10.7450 k = 0.0196 0.0340-0.0000 ( 3779 PWs) bands (ev): -33.0660 -33.0660 -14.3398 -14.3398 -13.9807 -13.9807 -13.9375 -13.9375 -4.0192 -4.0192 -2.9135 -2.9135 0.4782 0.4782 0.5075 0.5075 0.5911 0.5911 0.6091 0.6091 0.8490 0.8490 0.8685 0.8685 0.9494 0.9494 1.0622 1.0622 1.1277 1.1277 1.1384 1.1384 2.6395 2.6395 6.5678 6.5678 6.7425 6.7425 7.7901 7.7901 8.0373 8.0373 8.1412 8.1412 8.6421 8.6421 9.1852 9.1852 10.2127 10.2127 10.7049 10.7049 k = 0.0131 0.0226-0.0000 ( 3775 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9806 -13.9806 -13.9372 -13.9372 -4.0243 -4.0243 -2.9157 -2.9157 0.4778 0.4778 0.5070 0.5070 0.5927 0.5927 0.6074 0.6074 0.8495 0.8495 0.8676 0.8676 0.9487 0.9487 1.0619 1.0619 1.1289 1.1289 1.1387 1.1387 2.6319 2.6319 6.6167 6.6167 6.7668 6.7668 7.8362 7.8362 8.0971 8.0971 8.1626 8.1626 8.5850 8.5850 9.1153 9.1153 10.1919 10.1919 10.6766 10.6766 k = 0.0065 0.0113-0.0000 ( 3783 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9806 -13.9806 -13.9370 -13.9370 -4.0273 -4.0273 -2.9171 -2.9171 0.4776 0.4776 0.5068 0.5068 0.5938 0.5938 0.6062 0.6062 0.8498 0.8498 0.8669 0.8669 0.9483 0.9483 1.0617 1.0617 1.1295 1.1295 1.1388 1.1388 2.6273 2.6273 6.6427 6.6427 6.7872 6.7872 7.8590 7.8590 8.1326 8.1326 8.1888 8.1888 8.5494 8.5494 9.0641 9.0641 10.1789 10.1789 10.6595 10.6595 k = 0.0000 0.0000 0.0000 ( 3779 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9806 -13.9806 -13.9370 -13.9370 -4.0283 -4.0283 -2.9175 -2.9175 0.4775 0.4775 0.5067 0.5067 0.5943 0.5943 0.6057 0.6057 0.8500 0.8500 0.8667 0.8667 0.9482 0.9482 1.0617 1.0617 1.1298 1.1298 1.1389 1.1389 2.6257 2.6257 6.6505 6.6505 6.7952 6.7952 7.8657 7.8657 8.1415 8.1415 8.2031 8.2031 8.5373 8.5373 9.0448 9.0448 10.1745 10.1745 10.6538 10.6538 k = 0.0000 0.0000 0.0000 ( 3779 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9806 -13.9806 -13.9370 -13.9370 -4.0283 -4.0283 -2.9175 -2.9175 0.4775 0.4775 0.5067 0.5067 0.5943 0.5943 0.6057 0.6057 0.8500 0.8500 0.8667 0.8667 0.9482 0.9482 1.0617 1.0617 1.1298 1.1298 1.1389 1.1389 2.6257 2.6257 6.6505 6.6505 6.7952 6.7952 7.8657 7.8657 8.1415 8.1415 8.2031 8.2031 8.5373 8.5373 9.0448 9.0448 10.1745 10.1745 10.6538 10.6538 k = 0.0000 0.0000 0.0129 ( 3785 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9806 -13.9806 -13.9370 -13.9370 -4.0275 -4.0275 -2.9189 -2.9189 0.4775 0.4775 0.5067 0.5067 0.5939 0.5939 0.6058 0.6058 0.8490 0.8490 0.8668 0.8668 0.9482 0.9482 1.0618 1.0618 1.1297 1.1297 1.1387 1.1387 2.6301 2.6301 6.6516 6.6516 6.7964 6.7964 7.8547 7.8547 8.1277 8.1277 8.2003 8.2003 8.5373 8.5373 9.0656 9.0656 10.1770 10.1770 10.6554 10.6554 k = 0.0000 0.0000 0.0258 ( 3773 PWs) bands (ev): -33.0661 -33.0661 -14.3395 -14.3395 -13.9806 -13.9806 -13.9369 -13.9369 -4.0249 -4.0249 -2.9229 -2.9229 0.4774 0.4774 0.5068 0.5068 0.5931 0.5931 0.6060 0.6060 0.8463 0.8463 0.8671 0.8671 0.9483 0.9483 1.0622 1.0622 1.1298 1.1298 1.1381 1.1381 2.6431 2.6431 6.6549 6.6549 6.7998 6.7998 7.8198 7.8198 8.0931 8.0931 8.1919 8.1919 8.5375 8.5375 9.1223 9.1223 10.1847 10.1847 10.6599 10.6599 k = 0.0000 0.0000 0.0387 ( 3767 PWs) bands (ev): -33.0661 -33.0661 -14.3395 -14.3395 -13.9806 -13.9806 -13.9369 -13.9369 -4.0207 -4.0207 -2.9296 -2.9296 0.4773 0.4773 0.5069 0.5069 0.5918 0.5918 0.6063 0.6063 0.8420 0.8420 0.8674 0.8674 0.9484 0.9484 1.0628 1.0628 1.1297 1.1297 1.1372 1.1372 2.6645 2.6645 6.6604 6.6604 6.8054 6.8054 7.7583 7.7583 8.0512 8.0512 8.1782 8.1782 8.5384 8.5384 9.2030 9.2030 10.1985 10.1985 10.6670 10.6670 k = 0.0000 0.0000 0.0516 ( 3779 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9806 -13.9806 -13.9370 -13.9370 -4.0148 -4.0148 -2.9388 -2.9388 0.4771 0.4771 0.5070 0.5070 0.5899 0.5899 0.6066 0.6066 0.8362 0.8362 0.8677 0.8677 0.9485 0.9485 1.0635 1.0635 1.1295 1.1295 1.1359 1.1359 2.6941 2.6941 6.6680 6.6680 6.8133 6.8133 7.6714 7.6714 8.0110 8.0110 8.1593 8.1593 8.5403 8.5403 9.2959 9.2959 10.2198 10.2198 10.6759 10.6759 k = 0.0000 0.0000 0.0645 ( 3785 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9807 -13.9807 -13.9370 -13.9370 -4.0073 -4.0073 -2.9504 -2.9504 0.4768 0.4768 0.5071 0.5071 0.5876 0.5876 0.6069 0.6069 0.8293 0.8293 0.8681 0.8681 0.9487 0.9487 1.0644 1.0644 1.1293 1.1293 1.1344 1.1344 2.7313 2.7313 6.6778 6.6778 6.8235 6.8235 7.5652 7.5652 7.9738 7.9738 8.1355 8.1355 8.5432 8.5432 9.3918 9.3918 10.2507 10.2507 10.6859 10.6859 k = 0.0000 0.0000 0.0774 ( 3779 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9806 -13.9806 -13.9369 -13.9369 -3.9982 -3.9982 -2.9644 -2.9644 0.4766 0.4766 0.5073 0.5073 0.5849 0.5849 0.6073 0.6073 0.8216 0.8216 0.8685 0.8685 0.9489 0.9489 1.0654 1.0654 1.1292 1.1292 1.1327 1.1327 2.7757 2.7757 6.6898 6.6898 6.8358 6.8358 7.4466 7.4466 7.9378 7.9378 8.1074 8.1074 8.5468 8.5468 9.4834 9.4834 10.2940 10.2940 10.6961 10.6961 k = 0.0000 0.0000 0.0903 ( 3779 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9807 -13.9807 -13.9369 -13.9369 -3.9876 -3.9876 -2.9806 -2.9806 0.4763 0.4763 0.5075 0.5075 0.5819 0.5819 0.6076 0.6076 0.8134 0.8134 0.8689 0.8689 0.9492 0.9492 1.0665 1.0665 1.1290 1.1290 1.1309 1.1309 2.8266 2.8266 6.7038 6.7038 6.8504 6.8504 7.3205 7.3205 7.9014 7.9014 8.0754 8.0754 8.5512 8.5512 9.5651 9.5651 10.3521 10.3521 10.7055 10.7055 k = 0.0000 0.0000 0.1033 ( 3773 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9806 -13.9806 -13.9369 -13.9369 -3.9755 -3.9755 -2.9988 -2.9988 0.4760 0.4760 0.5078 0.5078 0.5785 0.5785 0.6079 0.6079 0.8050 0.8050 0.8693 0.8693 0.9495 0.9495 1.0677 1.0677 1.1287 1.1287 1.1291 1.1291 2.8835 2.8835 6.7199 6.7199 6.8672 6.8672 7.1904 7.1904 7.8637 7.8637 8.0399 8.0399 8.5562 8.5562 9.6334 9.6334 10.4268 10.4268 10.7132 10.7132 k = 0.0000 0.0000 0.1162 ( 3761 PWs) bands (ev): -33.0661 -33.0661 -14.3395 -14.3395 -13.9806 -13.9806 -13.9369 -13.9369 -3.9621 -3.9621 -3.0187 -3.0187 0.4756 0.4756 0.5081 0.5081 0.5748 0.5748 0.6083 0.6083 0.7965 0.7965 0.8698 0.8698 0.9499 0.9499 1.0688 1.0688 1.1272 1.1272 1.1284 1.1284 2.9456 2.9456 6.7379 6.7379 6.8861 6.8861 7.0585 7.0585 7.8244 7.8244 8.0013 8.0013 8.5617 8.5617 9.6871 9.6871 10.5175 10.5175 10.7187 10.7187 k = 0.0000 0.0000 0.1291 ( 3779 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9807 -13.9807 -13.9370 -13.9370 -3.9474 -3.9474 -3.0402 -3.0402 0.4752 0.4752 0.5082 0.5082 0.5708 0.5708 0.6086 0.6086 0.7881 0.7881 0.8701 0.8701 0.9501 0.9501 1.0698 1.0698 1.1253 1.1253 1.1281 1.1281 3.0123 3.0123 6.7571 6.7571 6.9071 6.9071 6.9271 6.9271 7.7834 7.7834 7.9602 7.9602 8.5675 8.5675 9.7273 9.7273 10.6219 10.6219 10.7216 10.7217 k = 0.0000 0.0000 0.1420 ( 3779 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9807 -13.9807 -13.9370 -13.9370 -3.9316 -3.9316 -3.0630 -3.0630 0.4748 0.4748 0.5085 0.5085 0.5666 0.5666 0.6088 0.6088 0.7801 0.7801 0.8705 0.8705 0.9505 0.9505 1.0709 1.0709 1.1236 1.1236 1.1278 1.1278 3.0827 3.0827 6.7661 6.7661 6.8088 6.8088 6.9302 6.9302 7.7408 7.7408 7.9170 7.9170 8.5737 8.5737 9.7563 9.7563 10.7216 10.7216 10.7371 10.7371 k = 0.0000 0.0000 0.1549 ( 3785 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9807 -13.9807 -13.9370 -13.9370 -3.9148 -3.9148 -3.0869 -3.0869 0.4744 0.4744 0.5087 0.5087 0.5624 0.5624 0.6091 0.6091 0.7726 0.7726 0.8710 0.8710 0.9508 0.9508 1.0718 1.0718 1.1219 1.1219 1.1275 1.1275 3.1561 3.1561 6.6601 6.6601 6.8095 6.8095 6.9554 6.9554 7.6969 7.6969 7.8721 7.8721 8.5801 8.5801 9.7768 9.7768 10.7202 10.7202 10.7444 10.7444 k = 0.0000 0.0000 0.1678 ( 3779 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9807 -13.9807 -13.9370 -13.9370 -3.8972 -3.8972 -3.1114 -3.1114 0.4741 0.4741 0.5090 0.5090 0.5581 0.5581 0.6093 0.6093 0.7657 0.7657 0.8714 0.8714 0.9512 0.9512 1.0727 1.0727 1.1203 1.1203 1.1272 1.1272 3.2315 3.2315 6.5348 6.5348 6.8344 6.8344 6.9826 6.9826 7.6519 7.6519 7.8258 7.8258 8.5865 8.5865 9.7908 9.7908 10.7166 10.7166 10.7395 10.7395 k = 0.0000 0.0000 0.1807 ( 3778 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9807 -13.9807 -13.9370 -13.9370 -3.8791 -3.8791 -3.1362 -3.1362 0.4737 0.4737 0.5092 0.5092 0.5539 0.5539 0.6095 0.6095 0.7594 0.7594 0.8718 0.8718 0.9515 0.9515 1.0736 1.0736 1.1189 1.1189 1.1269 1.1269 3.3079 3.3079 6.4125 6.4125 6.8622 6.8622 7.0118 7.0118 7.6060 7.6060 7.7785 7.7785 8.5929 8.5929 9.8002 9.8002 10.7116 10.7116 10.7333 10.7333 k = 0.0000 0.0000 0.1936 ( 3778 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9807 -13.9807 -13.9370 -13.9370 -3.8606 -3.8606 -3.1610 -3.1610 0.4734 0.4734 0.5095 0.5095 0.5498 0.5498 0.6097 0.6097 0.7539 0.7539 0.8722 0.8722 0.9518 0.9518 1.0744 1.0744 1.1175 1.1175 1.1266 1.1266 3.3842 3.3842 6.2952 6.2952 6.8921 6.8921 7.0428 7.0428 7.5596 7.5596 7.7305 7.7305 8.5990 8.5990 9.8062 9.8062 10.7059 10.7059 10.7266 10.7266 k = 0.0000 0.0000 0.2065 ( 3754 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9807 -13.9807 -13.9369 -13.9369 -3.8422 -3.8422 -3.1853 -3.1853 0.4731 0.4731 0.5097 0.5097 0.5460 0.5460 0.6100 0.6100 0.7491 0.7491 0.8725 0.8725 0.9522 0.9522 1.0753 1.0753 1.1164 1.1164 1.1264 1.1264 3.4589 3.4589 6.1843 6.1843 6.9239 6.9239 7.0757 7.0757 7.5129 7.5129 7.6822 7.6822 8.6049 8.6049 9.8099 9.8099 10.6998 10.6998 10.7197 10.7197 k = 0.0000 0.0000 0.2194 ( 3754 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9807 -13.9807 -13.9369 -13.9369 -3.8244 -3.8244 -3.2085 -3.2085 0.4728 0.4728 0.5099 0.5099 0.5425 0.5425 0.6102 0.6102 0.7449 0.7449 0.8729 0.8729 0.9525 0.9525 1.0759 1.0759 1.1153 1.1153 1.1262 1.1262 3.5306 3.5306 6.0814 6.0814 6.9574 6.9574 7.1104 7.1104 7.4662 7.4662 7.6337 7.6337 8.6102 8.6102 9.8119 9.8119 10.6937 10.6937 10.7129 10.7129 k = 0.0000 0.0000 0.2323 ( 3742 PWs) bands (ev): -33.0660 -33.0660 -14.3396 -14.3396 -13.9807 -13.9807 -13.9369 -13.9369 -3.8075 -3.8075 -3.2301 -3.2301 0.4727 0.4727 0.5101 0.5101 0.5394 0.5394 0.6103 0.6103 0.7414 0.7414 0.8732 0.8732 0.9527 0.9527 1.0765 1.0765 1.1145 1.1145 1.1260 1.1260 3.5972 3.5972 5.9884 5.9884 6.9926 6.9926 7.1468 7.1468 7.4196 7.4196 7.5854 7.5854 8.6150 8.6150 9.8128 9.8128 10.6881 10.6881 10.7067 10.7067 k = 0.0000 0.0000 0.2452 ( 3742 PWs) bands (ev): -33.0660 -33.0660 -14.3396 -14.3396 -13.9807 -13.9807 -13.9369 -13.9369 -3.7922 -3.7922 -3.2493 -3.2493 0.4725 0.4725 0.5102 0.5102 0.5368 0.5368 0.6104 0.6104 0.7386 0.7386 0.8734 0.8734 0.9529 0.9529 1.0769 1.0769 1.1137 1.1137 1.1258 1.1258 3.6567 3.6567 5.9075 5.9075 7.0292 7.0292 7.1849 7.1849 7.3734 7.3734 7.5374 7.5374 8.6191 8.6191 9.8129 9.8129 10.6831 10.6831 10.7012 10.7012 k = 0.0000 0.0000 0.2581 ( 3742 PWs) bands (ev): -33.0660 -33.0660 -14.3396 -14.3396 -13.9807 -13.9807 -13.9369 -13.9369 -3.7792 -3.7792 -3.2654 -3.2654 0.4723 0.4723 0.5103 0.5103 0.5346 0.5346 0.6105 0.6105 0.7365 0.7365 0.8736 0.8736 0.9531 0.9531 1.0773 1.0773 1.1131 1.1131 1.1257 1.1257 3.7066 3.7066 5.8408 5.8408 7.0672 7.0672 7.2245 7.2245 7.3279 7.3279 7.4900 7.4900 8.6224 8.6224 9.8128 9.8128 10.6789 10.6789 10.6968 10.6968 k = 0.0000 0.0000 0.2710 ( 3754 PWs) bands (ev): -33.0661 -33.0661 -14.3396 -14.3396 -13.9807 -13.9807 -13.9369 -13.9369 -3.7692 -3.7692 -3.2777 -3.2777 0.4722 0.4722 0.5103 0.5103 0.5331 0.5331 0.6105 0.6105 0.7349 0.7349 0.8737 0.8737 0.9531 0.9531 1.0775 1.0775 1.1127 1.1127 1.1256 1.1256 3.7446 3.7446 5.7910 5.7910 7.1062 7.1062 7.2654 7.2654 7.2835 7.2835 7.4434 7.4434 8.6248 8.6248 9.8125 9.8125 10.6759 10.6759 10.6935 10.6935 k = 0.0000 0.0000 0.2840 ( 3730 PWs) bands (ev): -33.0660 -33.0660 -14.3395 -14.3395 -13.9807 -13.9807 -13.9369 -13.9369 -3.7629 -3.7629 -3.2853 -3.2853 0.4722 0.4722 0.5105 0.5105 0.5322 0.5322 0.6106 0.6106 0.7341 0.7341 0.8738 0.8738 0.9532 0.9532 1.0778 1.0778 1.1125 1.1125 1.1256 1.1256 3.7684 3.7684 5.7601 5.7601 7.1448 7.1448 7.2416 7.2416 7.3075 7.3075 7.3979 7.3979 8.6263 8.6263 9.8123 9.8123 10.6740 10.6740 10.6916 10.6916 k = 0.0000 0.0000 0.2969 ( 3736 PWs) bands (ev): -33.0660 -33.0660 -14.3396 -14.3396 -13.9807 -13.9807 -13.9369 -13.9369 -3.7608 -3.7608 -3.2880 -3.2880 0.4722 0.4722 0.5105 0.5105 0.5319 0.5319 0.6106 0.6106 0.7337 0.7337 0.8738 0.8738 0.9533 0.9533 1.0778 1.0778 1.1123 1.1123 1.1255 1.1255 3.7765 3.7765 5.7495 5.7495 7.1703 7.1703 7.2150 7.2150 7.3434 7.3434 7.3608 7.3608 8.6268 8.6268 9.8122 9.8122 10.6734 10.6734 10.6909 10.6909 k = 0.0000 0.0000 0.2969 ( 3736 PWs) bands (ev): -33.0660 -33.0660 -14.3396 -14.3396 -13.9807 -13.9807 -13.9369 -13.9369 -3.7608 -3.7608 -3.2880 -3.2880 0.4722 0.4722 0.5105 0.5105 0.5319 0.5319 0.6106 0.6106 0.7337 0.7337 0.8738 0.8738 0.9533 0.9533 1.0778 1.0778 1.1123 1.1123 1.1255 1.1255 3.7765 3.7765 5.7495 5.7495 7.1703 7.1703 7.2150 7.2150 7.3434 7.3434 7.3608 7.3608 8.6268 8.6268 9.8122 9.8122 10.6734 10.6734 10.6909 10.6909 k = 0.0114 0.0066 0.2969 ( 3742 PWs) bands (ev): -33.0660 -33.0660 -14.3396 -14.3396 -13.9807 -13.9807 -13.9370 -13.9370 -3.7600 -3.7600 -3.2872 -3.2872 0.4722 0.4722 0.5104 0.5104 0.5319 0.5319 0.6107 0.6107 0.7339 0.7339 0.8739 0.8739 0.9533 0.9533 1.0778 1.0778 1.1123 1.1123 1.1253 1.1253 3.7767 3.7767 5.7497 5.7497 7.1569 7.1569 7.2074 7.2074 7.3350 7.3350 7.3591 7.3591 8.6461 8.6461 9.8174 9.8174 10.6773 10.6773 10.6945 10.6945 k = 0.0227 0.0131 0.2969 ( 3740 PWs) bands (ev): -33.0660 -33.0660 -14.3397 -14.3397 -13.9807 -13.9807 -13.9371 -13.9371 -3.7575 -3.7575 -3.2848 -3.2848 0.4724 0.4724 0.5103 0.5103 0.5321 0.5321 0.6111 0.6111 0.7343 0.7343 0.8742 0.8742 0.9534 0.9534 1.0778 1.0778 1.1122 1.1122 1.1248 1.1248 3.7774 3.7774 5.7501 5.7501 7.1146 7.1146 7.1855 7.1855 7.3132 7.3132 7.3555 7.3555 8.7003 8.7003 9.8329 9.8329 10.6889 10.6889 10.7053 10.7053 k = 0.0341 0.0197 0.2969 ( 3744 PWs) bands (ev): -33.0660 -33.0660 -14.3398 -14.3398 -13.9808 -13.9808 -13.9375 -13.9375 -3.7534 -3.7534 -3.2808 -3.2808 0.4728 0.4728 0.5102 0.5102 0.5324 0.5324 0.6117 0.6117 0.7351 0.7351 0.8746 0.8746 0.9536 0.9536 1.0777 1.0777 1.1120 1.1120 1.1240 1.1240 3.7785 3.7785 5.7504 5.7504 7.0419 7.0419 7.1539 7.1539 7.2804 7.2804 7.3534 7.3534 8.7813 8.7813 9.8582 9.8582 10.7080 10.7080 10.7233 10.7233 k = 0.0455 0.0262 0.2969 ( 3748 PWs) bands (ev): -33.0660 -33.0660 -14.3400 -14.3400 -13.9809 -13.9809 -13.9379 -13.9379 -3.7477 -3.7477 -3.2752 -3.2752 0.4734 0.4734 0.5100 0.5100 0.5328 0.5328 0.6125 0.6125 0.7361 0.7361 0.8752 0.8752 0.9538 0.9538 1.0776 1.0776 1.1115 1.1115 1.1230 1.1230 3.7799 3.7799 5.7503 5.7503 6.9447 6.9447 7.1162 7.1162 7.2372 7.2372 7.3532 7.3532 8.8795 8.8795 9.8927 9.8927 10.7341 10.7341 10.7484 10.7484 k = 0.0568 0.0328 0.2969 ( 3752 PWs) bands (ev): -33.0659 -33.0659 -14.3402 -14.3402 -13.9810 -13.9810 -13.9384 -13.9384 -3.7404 -3.7404 -3.2681 -3.2681 0.4742 0.4742 0.5098 0.5098 0.5333 0.5333 0.6136 0.6136 0.7375 0.7375 0.8759 0.8759 0.9541 0.9541 1.0775 1.0775 1.1107 1.1107 1.1220 1.1220 3.7815 3.7815 5.7488 5.7488 6.8324 6.8324 7.0727 7.0727 7.1853 7.1853 7.3531 7.3531 8.9867 8.9867 9.9358 9.9358 10.7664 10.7664 10.7803 10.7803 k = 0.0682 0.0394 0.2969 ( 3744 PWs) bands (ev): -33.0658 -33.0658 -14.3404 -14.3404 -13.9811 -13.9811 -13.9391 -13.9391 -3.7315 -3.7315 -3.2594 -3.2594 0.4751 0.4751 0.5096 0.5096 0.5340 0.5340 0.6149 0.6149 0.7392 0.7392 0.8769 0.8769 0.9545 0.9545 1.0774 1.0774 1.1095 1.1095 1.1210 1.1210 3.7834 3.7834 5.7448 5.7448 6.7125 6.7125 7.0225 7.0225 7.1273 7.1273 7.3519 7.3519 9.0958 9.0958 9.9875 9.9875 10.8033 10.8033 10.8190 10.8190 k = 0.0795 0.0459 0.2969 ( 3748 PWs) bands (ev): -33.0658 -33.0658 -14.3407 -14.3407 -13.9812 -13.9812 -13.9398 -13.9398 -3.7210 -3.7210 -3.2493 -3.2493 0.4761 0.4761 0.5093 0.5093 0.5349 0.5349 0.6163 0.6163 0.7413 0.7413 0.8780 0.8780 0.9549 0.9549 1.0772 1.0772 1.1077 1.1077 1.1204 1.1204 3.7853 3.7853 5.7361 5.7361 6.5914 6.5914 6.9644 6.9644 7.0662 7.0662 7.3490 7.3490 9.2012 9.2012 10.0481 10.0481 10.8427 10.8427 10.8639 10.8639 k = 0.0909 0.0525 0.2969 ( 3750 PWs) bands (ev): -33.0657 -33.0657 -14.3411 -14.3411 -13.9814 -13.9814 -13.9407 -13.9407 -3.7090 -3.7090 -3.2376 -3.2376 0.4772 0.4772 0.5091 0.5091 0.5359 0.5359 0.6179 0.6179 0.7436 0.7436 0.8792 0.8792 0.9555 0.9555 1.0770 1.0770 1.1053 1.1053 1.1200 1.1200 3.7872 3.7872 5.7196 5.7196 6.4750 6.4750 6.8977 6.8977 7.0049 7.0049 7.3442 7.3442 9.2981 9.2981 10.1178 10.1178 10.8816 10.8816 10.9144 10.9144 k = 0.1023 0.0590 0.2969 ( 3746 PWs) bands (ev): -33.0656 -33.0656 -14.3414 -14.3414 -13.9816 -13.9816 -13.9416 -13.9416 -3.6955 -3.6955 -3.2246 -3.2246 0.4785 0.4785 0.5091 0.5091 0.5371 0.5371 0.6197 0.6197 0.7463 0.7463 0.8806 0.8806 0.9562 0.9562 1.0767 1.0767 1.1025 1.1025 1.1199 1.1199 3.7888 3.7888 5.6904 5.6904 6.3698 6.3698 6.8227 6.8227 6.9446 6.9446 7.3374 7.3374 9.3830 9.3830 10.1966 10.1966 10.9152 10.9152 10.9694 10.9694 k = 0.1136 0.0656 0.2969 ( 3742 PWs) bands (ev): -33.0655 -33.0655 -14.3418 -14.3418 -13.9818 -13.9818 -13.9426 -13.9426 -3.6805 -3.6805 -3.2102 -3.2102 0.4798 0.4798 0.5091 0.5091 0.5384 0.5384 0.6216 0.6216 0.7493 0.7493 0.8822 0.8822 0.9569 0.9569 1.0763 1.0763 1.0993 1.0993 1.1200 1.1200 3.7899 3.7899 5.6431 5.6431 6.2828 6.2828 6.7413 6.7413 6.8852 6.8852 7.3287 7.3287 9.4540 9.4540 10.2831 10.2831 10.9344 10.9344 11.0278 11.0278 k = 0.1250 0.0722 0.2969 ( 3746 PWs) bands (ev): -33.0654 -33.0654 -14.3423 -14.3423 -13.9821 -13.9821 -13.9438 -13.9438 -3.6641 -3.6641 -3.1945 -3.1945 0.4811 0.4811 0.5094 0.5094 0.5399 0.5399 0.6235 0.6235 0.7525 0.7525 0.8838 0.8838 0.9578 0.9578 1.0755 1.0755 1.0960 1.0960 1.1203 1.1203 3.7904 3.7904 5.5733 5.5733 6.2189 6.2189 6.6556 6.6556 6.8261 6.8261 7.3182 7.3182 9.5108 9.5108 10.3736 10.3736 10.9265 10.9265 11.0889 11.0889 k = 0.1364 0.0787 0.2969 ( 3748 PWs) bands (ev): -33.0653 -33.0653 -14.3428 -14.3428 -13.9824 -13.9824 -13.9449 -13.9449 -3.6462 -3.6462 -3.1776 -3.1776 0.4824 0.4824 0.5099 0.5099 0.5414 0.5414 0.6256 0.6256 0.7561 0.7561 0.8856 0.8856 0.9587 0.9587 1.0744 1.0744 1.0930 1.0930 1.1206 1.1206 3.7900 3.7900 5.4813 5.4813 6.1787 6.1787 6.5675 6.5675 6.7669 6.7669 7.3061 7.3061 9.5547 9.5547 10.4624 10.4624 10.8862 10.8862 11.1518 11.1518 k = 0.1477 0.0853 0.2969 ( 3736 PWs) bands (ev): -33.0651 -33.0651 -14.3434 -14.3434 -13.9827 -13.9827 -13.9461 -13.9461 -3.6270 -3.6270 -3.1595 -3.1595 0.4836 0.4836 0.5108 0.5108 0.5432 0.5432 0.6277 0.6277 0.7600 0.7600 0.8876 0.8876 0.9598 0.9598 1.0725 1.0725 1.0904 1.0904 1.1211 1.1211 3.7884 3.7884 5.3716 5.3716 6.1578 6.1578 6.4786 6.4786 6.7075 6.7075 7.2924 7.2924 9.5874 9.5874 10.5398 10.5398 10.8272 10.8272 11.2157 11.2157 k = 0.1591 0.0919 0.2969 ( 3736 PWs) bands (ev): -33.0650 -33.0650 -14.3439 -14.3439 -13.9830 -13.9830 -13.9473 -13.9473 -3.6065 -3.6065 -3.1403 -3.1403 0.4847 0.4847 0.5120 0.5120 0.5451 0.5451 0.6299 0.6299 0.7642 0.7642 0.8897 0.8897 0.9610 0.9610 1.0697 1.0697 1.0887 1.0887 1.1217 1.1217 3.7852 3.7852 5.2498 5.2498 6.1507 6.1507 6.3904 6.3904 6.6479 6.6479 7.2774 7.2774 9.6107 9.6107 10.5858 10.5858 10.7770 10.7770 11.2797 11.2798 k = 0.1705 0.0984 0.2969 ( 3740 PWs) bands (ev): -33.0648 -33.0648 -14.3446 -14.3446 -13.9834 -13.9834 -13.9486 -13.9486 -3.5848 -3.5848 -3.1201 -3.1201 0.4857 0.4857 0.5137 0.5137 0.5470 0.5470 0.6322 0.6322 0.7686 0.7686 0.8918 0.8918 0.9622 0.9622 1.0659 1.0659 1.0878 1.0878 1.1223 1.1223 3.7801 3.7801 5.1208 5.1208 6.1513 6.1513 6.3054 6.3054 6.5883 6.5883 7.2612 7.2612 9.6262 9.6262 10.5695 10.5695 10.7695 10.7695 11.3430 11.3431 k = 0.1818 0.1050 0.2969 ( 3744 PWs) bands (ev): -33.0647 -33.0647 -14.3452 -14.3452 -13.9838 -13.9838 -13.9499 -13.9499 -3.5619 -3.5619 -3.0990 -3.0990 0.4865 0.4865 0.5159 0.5159 0.5491 0.5491 0.6345 0.6345 0.7733 0.7733 0.8940 0.8940 0.9635 0.9635 1.0614 1.0614 1.0877 1.0877 1.1231 1.1231 3.7728 3.7728 4.9877 4.9877 6.1483 6.1483 6.2328 6.2328 6.5289 6.5289 7.2440 7.2440 9.6354 9.6354 10.5080 10.5080 10.7895 10.7895 11.4044 11.4056 k = 0.1932 0.1115 0.2969 ( 3748 PWs) bands (ev): -33.0646 -33.0646 -14.3459 -14.3459 -13.9843 -13.9843 -13.9512 -13.9512 -3.5379 -3.5379 -3.0771 -3.0771 0.4872 0.4872 0.5185 0.5185 0.5513 0.5513 0.6369 0.6369 0.7781 0.7781 0.8963 0.8963 0.9649 0.9649 1.0565 1.0565 1.0882 1.0882 1.1239 1.1239 3.7629 3.7629 4.8529 4.8529 6.1055 6.1055 6.2073 6.2073 6.4700 6.4700 7.2258 7.2258 9.6391 9.6391 10.4341 10.4341 10.8064 10.8064 11.4395 11.4395 k = 0.2045 0.1181 0.2969 ( 3744 PWs) bands (ev): -33.0644 -33.0644 -14.3466 -14.3466 -13.9848 -13.9848 -13.9525 -13.9525 -3.5129 -3.5129 -3.0544 -3.0544 0.4880 0.4880 0.5216 0.5216 0.5536 0.5536 0.6394 0.6394 0.7833 0.7833 0.8987 0.8987 0.9663 0.9663 1.0514 1.0514 1.0891 1.0891 1.1249 1.1249 3.7498 3.7498 4.7178 4.7178 6.0333 6.0333 6.2177 6.2177 6.4121 6.4121 7.2070 7.2070 9.6383 9.6383 10.3594 10.3594 10.8130 10.8130 11.4082 11.4082 k = 0.2159 0.1247 0.2969 ( 3746 PWs) bands (ev): -33.0642 -33.0642 -14.3473 -14.3473 -13.9854 -13.9854 -13.9538 -13.9538 -3.4870 -3.4870 -3.0311 -3.0311 0.4887 0.4887 0.5251 0.5251 0.5560 0.5560 0.6419 0.6419 0.7885 0.7885 0.9011 0.9011 0.9675 0.9675 1.0462 1.0462 1.0905 1.0905 1.1260 1.1260 3.7333 3.7333 4.5836 4.5836 5.9587 5.9587 6.2359 6.2359 6.3562 6.3562 7.1875 7.1875 9.6333 9.6333 10.2875 10.2875 10.8097 10.8097 11.3333 11.3333 k = 0.2273 0.1312 0.2969 ( 3750 PWs) bands (ev): -33.0641 -33.0641 -14.3481 -14.3481 -13.9861 -13.9861 -13.9550 -13.9550 -3.4602 -3.4602 -3.0073 -3.0073 0.4894 0.4894 0.5289 0.5289 0.5585 0.5585 0.6444 0.6444 0.7940 0.7940 0.9035 0.9035 0.9687 0.9687 1.0410 1.0410 1.0922 1.0922 1.1273 1.1273 3.7127 3.7127 4.4512 4.4512 5.8869 5.8869 6.2504 6.2504 6.3086 6.3086 7.1677 7.1677 9.6247 9.6247 10.2202 10.2202 10.7986 10.7986 11.2427 11.2427 k = 0.2386 0.1378 0.2969 ( 3754 PWs) bands (ev): -33.0639 -33.0639 -14.3489 -14.3489 -13.9867 -13.9867 -13.9562 -13.9562 -3.4327 -3.4327 -2.9831 -2.9831 0.4902 0.4902 0.5330 0.5330 0.5611 0.5611 0.6470 0.6470 0.7996 0.7996 0.9060 0.9060 0.9696 0.9696 1.0359 1.0359 1.0942 1.0942 1.1289 1.1289 3.6876 3.6876 4.3214 4.3214 5.8193 5.8193 6.2268 6.2268 6.3025 6.3025 7.1475 7.1475 9.6127 9.6127 10.1585 10.1585 10.7816 10.7816 11.1461 11.1461 k = 0.2500 0.1443 0.2969 ( 3760 PWs) bands (ev): -33.0638 -33.0638 -14.3497 -14.3497 -13.9875 -13.9875 -13.9573 -13.9573 -3.4045 -3.4045 -2.9587 -2.9587 0.4911 0.4911 0.5373 0.5373 0.5638 0.5638 0.6497 0.6497 0.8053 0.8053 0.9084 0.9084 0.9703 0.9703 1.0311 1.0311 1.0966 1.0966 1.1308 1.1308 3.6576 3.6576 4.1948 4.1948 5.7567 5.7567 6.1773 6.1773 6.3251 6.3251 7.1273 7.1273 9.5976 9.5976 10.1029 10.1029 10.7599 10.7599 11.0473 11.0473 k = 0.2614 0.1509 0.2969 ( 3750 PWs) bands (ev): -33.0636 -33.0636 -14.3505 -14.3505 -13.9882 -13.9882 -13.9584 -13.9584 -3.3758 -3.3758 -2.9341 -2.9341 0.4923 0.4923 0.5419 0.5419 0.5668 0.5668 0.6526 0.6526 0.8112 0.8112 0.9108 0.9108 0.9705 0.9705 1.0267 1.0267 1.0993 1.0993 1.1331 1.1331 3.6220 3.6220 4.0725 4.0725 5.6995 5.6995 6.1255 6.1255 6.3526 6.3526 7.1070 7.1070 9.5796 9.5796 10.0538 10.0538 10.7342 10.7342 10.9487 10.9487 k = 0.2727 0.1575 0.2969 ( 3746 PWs) bands (ev): -33.0634 -33.0634 -14.3513 -14.3513 -13.9890 -13.9890 -13.9593 -13.9593 -3.3467 -3.3467 -2.9095 -2.9095 0.4936 0.4936 0.5464 0.5464 0.5700 0.5700 0.6555 0.6555 0.8171 0.8171 0.9131 0.9131 0.9703 0.9703 1.0228 1.0228 1.1021 1.1021 1.1359 1.1359 3.5801 3.5801 3.9553 3.9553 5.6479 5.6479 6.0743 6.0743 6.3817 6.3817 7.0869 7.0869 9.5591 9.5591 10.0114 10.0114 10.7041 10.7041 10.8527 10.8527 k = 0.2841 0.1640 0.2969 ( 3750 PWs) bands (ev): -33.0633 -33.0633 -14.3521 -14.3521 -13.9899 -13.9899 -13.9603 -13.9603 -3.3174 -3.3174 -2.8850 -2.8850 0.4951 0.4951 0.5508 0.5508 0.5735 0.5735 0.6586 0.6586 0.8230 0.8230 0.9154 0.9154 0.9694 0.9694 1.0196 1.0196 1.1050 1.1050 1.1393 1.1393 3.5311 3.5311 3.8446 3.8446 5.6020 5.6020 6.0245 6.0245 6.4116 6.4116 7.0672 7.0672 9.5367 9.5367 9.9755 9.9755 10.6653 10.6653 10.7652 10.7652 k = 0.2955 0.1706 0.2969 ( 3750 PWs) bands (ev): -33.0631 -33.0631 -14.3529 -14.3529 -13.9908 -13.9908 -13.9611 -13.9611 -3.2880 -3.2880 -2.8608 -2.8608 0.4968 0.4968 0.5549 0.5549 0.5774 0.5774 0.6619 0.6619 0.8289 0.8289 0.9175 0.9175 0.9680 0.9680 1.0170 1.0170 1.1080 1.1080 1.1435 1.1435 3.4739 3.4739 3.7419 3.7419 5.5616 5.5616 5.9764 5.9764 6.4418 6.4418 7.0478 7.0478 9.5127 9.5127 9.9459 9.9459 10.6063 10.6063 10.6988 10.6988 k = 0.3068 0.1771 0.2969 ( 3754 PWs) bands (ev): -33.0629 -33.0629 -14.3537 -14.3537 -13.9917 -13.9917 -13.9619 -13.9619 -3.2586 -3.2586 -2.8371 -2.8371 0.4987 0.4987 0.5586 0.5586 0.5818 0.5818 0.6654 0.6654 0.8348 0.8348 0.9195 0.9195 0.9661 0.9661 1.0150 1.0150 1.1108 1.1108 1.1484 1.1484 3.4079 3.4079 3.6486 3.6486 5.5266 5.5266 5.9303 5.9303 6.4721 6.4721 7.0290 7.0290 9.4879 9.4879 9.9219 9.9219 10.5263 10.5263 10.6553 10.6553 k = 0.3182 0.1837 0.2969 ( 3752 PWs) bands (ev): -33.0628 -33.0628 -14.3545 -14.3545 -13.9927 -13.9927 -13.9626 -13.9626 -3.2293 -3.2293 -2.8138 -2.8138 0.5010 0.5010 0.5618 0.5618 0.5867 0.5867 0.6692 0.6692 0.8406 0.8406 0.9214 0.9214 0.9639 0.9639 1.0137 1.0137 1.1135 1.1135 1.1540 1.1540 3.3334 3.3334 3.5649 3.5649 5.4966 5.4966 5.8861 5.8861 6.5020 6.5020 7.0110 7.0110 9.4628 9.4628 9.9032 9.9032 10.4396 10.4396 10.6212 10.6212 k = 0.3295 0.1903 0.2969 ( 3760 PWs) bands (ev): -33.0627 -33.0627 -14.3552 -14.3552 -13.9936 -13.9936 -13.9632 -13.9632 -3.2005 -3.2005 -2.7913 -2.7913 0.5033 0.5033 0.5645 0.5645 0.5918 0.5918 0.6734 0.6734 0.8462 0.8462 0.9229 0.9229 0.9615 0.9615 1.0128 1.0128 1.1161 1.1161 1.1604 1.1604 3.2528 3.2528 3.4895 3.4895 5.4714 5.4714 5.8441 5.8441 6.5315 6.5315 6.9937 6.9937 9.4379 9.4379 9.8891 9.8891 10.3534 10.3534 10.5903 10.5903 k = 0.3409 0.1968 0.2969 ( 3756 PWs) bands (ev): -33.0625 -33.0625 -14.3560 -14.3560 -13.9946 -13.9946 -13.9638 -13.9638 -3.1722 -3.1722 -2.7695 -2.7695 0.5060 0.5060 0.5667 0.5667 0.5971 0.5971 0.6781 0.6781 0.8517 0.8517 0.9241 0.9241 0.9594 0.9594 1.0124 1.0124 1.1186 1.1186 1.1673 1.1673 3.1691 3.1691 3.4202 3.4202 5.4504 5.4504 5.8045 5.8045 6.5602 6.5602 6.9776 6.9776 9.4137 9.4137 9.8790 9.8790 10.2701 10.2701 10.5607 10.5607 k = 0.3523 0.2034 0.2969 ( 3758 PWs) bands (ev): -33.0624 -33.0624 -14.3567 -14.3567 -13.9955 -13.9955 -13.9643 -13.9643 -3.1446 -3.1446 -2.7487 -2.7487 0.5088 0.5088 0.5685 0.5685 0.6024 0.6024 0.6832 0.6832 0.8567 0.8567 0.9246 0.9246 0.9579 0.9579 1.0124 1.0124 1.1211 1.1211 1.1744 1.1744 3.0853 3.0853 3.3550 3.3550 5.4331 5.4331 5.7672 5.7672 6.5878 6.5878 6.9625 6.9625 9.3904 9.3904 9.8723 9.8723 10.1911 10.1911 10.5321 10.5321 k = 0.3636 0.2099 0.2969 ( 3754 PWs) bands (ev): -33.0622 -33.0622 -14.3574 -14.3574 -13.9964 -13.9964 -13.9647 -13.9647 -3.1179 -3.1179 -2.7290 -2.7290 0.5118 0.5118 0.5699 0.5699 0.6075 0.6075 0.6889 0.6889 0.8614 0.8614 0.9244 0.9244 0.9574 0.9574 1.0127 1.0127 1.1237 1.1237 1.1818 1.1818 3.0036 3.0036 3.2928 3.2928 5.4192 5.4192 5.7325 5.7325 6.6141 6.6141 6.9489 6.9489 9.3681 9.3681 9.8680 9.8680 10.1178 10.1178 10.5040 10.5040 k = 0.3750 0.2165 0.2969 ( 3744 PWs) bands (ev): -33.0621 -33.0621 -14.3580 -14.3580 -13.9972 -13.9972 -13.9651 -13.9651 -3.0923 -3.0923 -2.7105 -2.7105 0.5150 0.5150 0.5709 0.5709 0.6123 0.6123 0.6952 0.6952 0.8656 0.8656 0.9233 0.9233 0.9579 0.9579 1.0134 1.0134 1.1264 1.1264 1.1890 1.1890 2.9255 2.9255 3.2329 3.2329 5.4081 5.4081 5.7003 5.7003 6.6387 6.6387 6.9367 6.9367 9.3469 9.3469 9.8647 9.8647 10.0519 10.0519 10.4765 10.4765 k = 0.3864 0.2231 0.2969 ( 3744 PWs) bands (ev): -33.0620 -33.0620 -14.3586 -14.3586 -13.9981 -13.9981 -13.9654 -13.9654 -3.0681 -3.0681 -2.6933 -2.6933 0.5183 0.5183 0.5715 0.5715 0.6167 0.6167 0.7020 0.7020 0.8692 0.8692 0.9213 0.9213 0.9595 0.9595 1.0144 1.0144 1.1294 1.1294 1.1958 1.1958 2.8521 2.8521 3.1756 3.1756 5.3993 5.3993 5.6708 5.6708 6.6614 6.6614 6.9262 6.9262 9.3267 9.3267 9.8589 9.8589 9.9972 9.9972 10.4496 10.4496 k = 0.3977 0.2296 0.2969 ( 3740 PWs) bands (ev): -33.0619 -33.0619 -14.3592 -14.3592 -13.9988 -13.9988 -13.9657 -13.9657 -3.0453 -3.0453 -2.6774 -2.6774 0.5218 0.5218 0.5718 0.5718 0.6207 0.6207 0.7091 0.7091 0.8724 0.8724 0.9187 0.9187 0.9619 0.9619 1.0158 1.0158 1.1326 1.1326 1.2019 1.2019 2.7843 2.7843 3.1209 3.1209 5.3924 5.3924 5.6440 5.6440 6.6818 6.6818 6.9177 6.9177 9.3075 9.3075 9.8438 9.8438 9.9605 9.9605 10.4232 10.4232 k = 0.4091 0.2362 0.2969 ( 3744 PWs) bands (ev): -33.0618 -33.0618 -14.3597 -14.3597 -13.9996 -13.9996 -13.9660 -13.9660 -3.0243 -3.0243 -2.6631 -2.6631 0.5252 0.5252 0.5717 0.5717 0.6241 0.6241 0.7165 0.7165 0.8749 0.8749 0.9156 0.9156 0.9648 0.9648 1.0175 1.0175 1.1362 1.1362 1.2070 1.2070 2.7227 2.7227 3.0693 3.0693 5.3871 5.3871 5.6201 5.6201 6.6996 6.6996 6.9112 6.9112 9.2893 9.2893 9.8151 9.8151 9.9462 9.9462 10.3975 10.3975 k = 0.4205 0.2427 0.2969 ( 3740 PWs) bands (ev): -33.0617 -33.0617 -14.3602 -14.3602 -14.0002 -14.0002 -13.9662 -13.9662 -3.0052 -3.0052 -2.6503 -2.6503 0.5287 0.5287 0.5713 0.5713 0.6270 0.6270 0.7239 0.7239 0.8770 0.8770 0.9123 0.9123 0.9679 0.9679 1.0197 1.0197 1.1402 1.1402 1.2109 1.2109 2.6678 2.6678 3.0215 3.0215 5.3830 5.3830 5.5990 5.5990 6.7145 6.7145 6.9069 6.9069 9.2722 9.2722 9.7795 9.7795 9.9474 9.9474 10.3724 10.3724 k = 0.4318 0.2493 0.2969 ( 3740 PWs) bands (ev): -33.0616 -33.0616 -14.3606 -14.3606 -14.0008 -14.0008 -13.9663 -13.9663 -2.9881 -2.9881 -2.6391 -2.6391 0.5321 0.5321 0.5707 0.5707 0.6295 0.6295 0.7312 0.7312 0.8787 0.8787 0.9090 0.9090 0.9709 0.9709 1.0222 1.0222 1.1447 1.1447 1.2134 1.2134 2.6199 2.6199 2.9780 2.9780 5.3799 5.3799 5.5808 5.5808 6.7264 6.7264 6.9047 6.9047 9.2563 9.2563 9.7445 9.7445 9.9561 9.9561 10.3483 10.3483 k = 0.4432 0.2559 0.2969 ( 3740 PWs) bands (ev): -33.0616 -33.0616 -14.3609 -14.3609 -14.0013 -14.0013 -13.9665 -13.9665 -2.9734 -2.9734 -2.6295 -2.6295 0.5353 0.5353 0.5698 0.5698 0.6315 0.6315 0.7380 0.7380 0.8800 0.8800 0.9057 0.9057 0.9735 0.9735 1.0250 1.0250 1.1497 1.1497 1.2144 1.2144 2.5794 2.5794 2.9396 2.9396 5.3775 5.3775 5.5655 5.5655 6.7353 6.7353 6.9043 6.9043 9.2419 9.2419 9.7136 9.7136 9.9684 9.9684 10.3254 10.3254 k = 0.4545 0.2624 0.2969 ( 3742 PWs) bands (ev): -33.0615 -33.0615 -14.3612 -14.3612 -14.0017 -14.0017 -13.9666 -13.9666 -2.9611 -2.9611 -2.6217 -2.6217 0.5384 0.5384 0.5687 0.5687 0.6331 0.6331 0.7440 0.7440 0.8811 0.8811 0.9026 0.9026 0.9757 0.9757 1.0278 1.0278 1.1551 1.1551 1.2138 1.2138 2.5463 2.5463 2.9069 2.9069 5.3757 5.3757 5.5530 5.5530 6.7417 6.7417 6.9053 6.9053 9.2293 9.2293 9.6880 9.6880 9.9821 9.9821 10.3043 10.3043 k = 0.4659 0.2690 0.2969 ( 3738 PWs) bands (ev): -33.0615 -33.0615 -14.3615 -14.3615 -14.0020 -14.0020 -13.9667 -13.9667 -2.9513 -2.9513 -2.6156 -2.6156 0.5411 0.5411 0.5675 0.5675 0.6344 0.6344 0.7492 0.7492 0.8820 0.8820 0.8998 0.8998 0.9774 0.9774 1.0303 1.0303 1.1607 1.1607 1.2120 1.2120 2.5207 2.5207 2.8806 2.8806 5.3744 5.3744 5.5434 5.5434 6.7460 6.7460 6.9069 6.9069 9.2189 9.2189 9.6681 9.6681 9.9955 9.9955 10.2857 10.2857 k = 0.4773 0.2756 0.2969 ( 3742 PWs) bands (ev): -33.0615 -33.0615 -14.3616 -14.3616 -14.0022 -14.0022 -13.9667 -13.9667 -2.9443 -2.9443 -2.6112 -2.6112 0.5433 0.5433 0.5664 0.5664 0.6352 0.6352 0.7530 0.7530 0.8827 0.8827 0.8976 0.8976 0.9786 0.9786 1.0324 1.0324 1.1660 1.1660 1.2094 1.2094 2.5025 2.5025 2.8613 2.8613 5.3734 5.3734 5.5366 5.5366 6.7487 6.7487 6.9086 6.9086 9.2111 9.2111 9.6539 9.6539 10.0070 10.0070 10.2709 10.2709 k = 0.4886 0.2821 0.2969 ( 3742 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9668 -13.9668 -2.9400 -2.9400 -2.6086 -2.6086 0.5448 0.5448 0.5656 0.5656 0.6357 0.6357 0.7554 0.7554 0.8832 0.8832 0.8961 0.8961 0.9793 0.9793 1.0337 1.0337 1.1701 1.1701 1.2069 1.2069 2.4916 2.4916 2.8495 2.8495 5.3729 5.3729 5.5325 5.5325 6.7501 6.7501 6.9098 6.9098 9.2063 9.2063 9.6455 9.6455 10.0149 10.0149 10.2612 10.2612 k = 0.5000 0.2887 0.2969 ( 3736 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9668 -13.9668 -2.9386 -2.9386 -2.6077 -2.6077 0.5453 0.5453 0.5653 0.5653 0.6359 0.6359 0.7562 0.7562 0.8835 0.8835 0.8955 0.8955 0.9795 0.9795 1.0341 1.0341 1.1717 1.1717 1.2059 1.2059 2.4880 2.4880 2.8455 2.8455 5.3727 5.3727 5.5312 5.5312 6.7505 6.7505 6.9102 6.9102 9.2047 9.2047 9.6427 9.6427 10.0177 10.0177 10.2578 10.2578 k = 0.5000 0.2887 0.2969 ( 3736 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9668 -13.9668 -2.9386 -2.9386 -2.6077 -2.6077 0.5453 0.5453 0.5653 0.5653 0.6359 0.6359 0.7562 0.7562 0.8835 0.8835 0.8955 0.8955 0.9795 0.9795 1.0341 1.0341 1.1717 1.1717 1.2059 1.2059 2.4880 2.4880 2.8455 2.8455 5.3727 5.3727 5.5312 5.5312 6.7505 6.7505 6.9102 6.9102 9.2047 9.2047 9.6427 9.6427 10.0177 10.0177 10.2578 10.2578 k = 0.4936 0.2998 0.2969 ( 3740 PWs) bands (ev): -33.0614 -33.0614 -14.3618 -14.3618 -14.0024 -14.0024 -13.9668 -13.9668 -2.9380 -2.9380 -2.6077 -2.6077 0.5455 0.5455 0.5653 0.5653 0.6358 0.6358 0.7561 0.7561 0.8834 0.8834 0.8959 0.8959 0.9795 0.9795 1.0344 1.0344 1.1714 1.1714 1.2062 1.2062 2.4888 2.4888 2.8459 2.8459 5.3728 5.3728 5.5253 5.5253 6.7461 6.7461 6.9050 6.9050 9.2086 9.2086 9.6518 9.6518 10.0265 10.0265 10.2561 10.2561 k = 0.4872 0.3109 0.2969 ( 3744 PWs) bands (ev): -33.0614 -33.0614 -14.3618 -14.3618 -14.0023 -14.0023 -13.9670 -13.9670 -2.9363 -2.9363 -2.6076 -2.6076 0.5461 0.5461 0.5654 0.5654 0.6355 0.6355 0.7559 0.7559 0.8832 0.8832 0.8967 0.8967 0.9794 0.9794 1.0350 1.0350 1.1707 1.1707 1.2070 1.2070 2.4912 2.4912 2.8469 2.8469 5.3728 5.3728 5.5085 5.5085 6.7320 6.7320 6.8906 6.8906 9.2200 9.2200 9.6790 9.6790 10.0529 10.0529 10.2512 10.2512 k = 0.4808 0.3220 0.2969 ( 3732 PWs) bands (ev): -33.0614 -33.0614 -14.3618 -14.3618 -14.0022 -14.0022 -13.9672 -13.9672 -2.9335 -2.9335 -2.6076 -2.6076 0.5471 0.5471 0.5657 0.5657 0.6351 0.6351 0.7555 0.7555 0.8831 0.8831 0.8981 0.8981 0.9794 0.9794 1.0360 1.0360 1.1695 1.1695 1.2085 1.2085 2.4952 2.4952 2.8486 2.8486 5.3711 5.3711 5.4827 5.4827 6.7065 6.7065 6.8701 6.8701 9.2378 9.2378 9.7236 9.7236 10.0965 10.0965 10.2434 10.2434 k = 0.4744 0.3331 0.2969 ( 3730 PWs) bands (ev): -33.0614 -33.0614 -14.3618 -14.3618 -14.0020 -14.0020 -13.9675 -13.9675 -2.9296 -2.9296 -2.6075 -2.6075 0.5485 0.5485 0.5660 0.5660 0.6345 0.6345 0.7551 0.7551 0.8830 0.8830 0.8998 0.8998 0.9793 0.9793 1.0373 1.0373 1.1680 1.1680 1.2104 1.2104 2.5007 2.5007 2.8509 2.8509 5.3628 5.3628 5.4537 5.4537 6.6677 6.6677 6.8475 6.8475 9.2606 9.2606 9.7846 9.7846 10.1568 10.1568 10.2329 10.2329 k = 0.4679 0.3442 0.2969 ( 3730 PWs) bands (ev): -33.0614 -33.0614 -14.3618 -14.3618 -14.0018 -14.0018 -13.9680 -13.9680 -2.9247 -2.9247 -2.6074 -2.6074 0.5502 0.5502 0.5663 0.5663 0.6337 0.6337 0.7545 0.7545 0.8831 0.8831 0.9017 0.9017 0.9792 0.9792 1.0389 1.0389 1.1663 1.1663 1.2126 1.2126 2.5078 2.5078 2.8538 2.8538 5.3370 5.3370 5.4335 5.4335 6.6157 6.6157 6.8252 6.8252 9.2868 9.2868 9.8605 9.8605 10.2183 10.2183 10.2348 10.2348 k = 0.4615 0.3553 0.2969 ( 3730 PWs) bands (ev): -33.0614 -33.0614 -14.3619 -14.3619 -14.0015 -14.0015 -13.9685 -13.9685 -2.9187 -2.9187 -2.6074 -2.6074 0.5522 0.5522 0.5667 0.5667 0.6328 0.6328 0.7539 0.7539 0.8833 0.8833 0.9037 0.9037 0.9790 0.9790 1.0407 1.0407 1.1646 1.1646 1.2152 1.2152 2.5163 2.5163 2.8572 2.8572 5.2894 5.2894 5.4276 5.4276 6.5526 6.5526 6.8036 6.8036 9.3154 9.3154 9.9497 9.9497 10.2050 10.2050 10.3239 10.3239 k = 0.4551 0.3664 0.2969 ( 3730 PWs) bands (ev): -33.0613 -33.0613 -14.3619 -14.3619 -14.0012 -14.0012 -13.9692 -13.9692 -2.9117 -2.9117 -2.6074 -2.6074 0.5546 0.5546 0.5672 0.5672 0.6318 0.6318 0.7534 0.7534 0.8838 0.8838 0.9058 0.9058 0.9788 0.9788 1.0426 1.0426 1.1629 1.1629 1.2181 1.2181 2.5263 2.5263 2.8611 2.8611 5.2274 5.2274 5.4294 5.4294 6.4815 6.4815 6.7823 6.7823 9.3456 9.3456 10.0501 10.0501 10.1896 10.1896 10.4269 10.4269 k = 0.4487 0.3775 0.2969 ( 3734 PWs) bands (ev): -33.0613 -33.0613 -14.3620 -14.3620 -14.0009 -14.0009 -13.9699 -13.9699 -2.9037 -2.9037 -2.6075 -2.6075 0.5572 0.5572 0.5677 0.5677 0.6306 0.6306 0.7529 0.7529 0.8844 0.8844 0.9080 0.9080 0.9786 0.9786 1.0443 1.0443 1.1613 1.1613 1.2213 1.2213 2.5377 2.5377 2.8652 2.8652 5.1570 5.1570 5.4340 5.4340 6.4057 6.4057 6.7605 6.7605 9.3769 9.3769 10.1494 10.1494 10.1844 10.1844 10.5406 10.5406 k = 0.4423 0.3886 0.2969 ( 3722 PWs) bands (ev): -33.0613 -33.0613 -14.3620 -14.3620 -14.0005 -14.0005 -13.9706 -13.9706 -2.8948 -2.8948 -2.6077 -2.6077 0.5600 0.5600 0.5683 0.5683 0.6295 0.6295 0.7526 0.7526 0.8851 0.8851 0.9103 0.9103 0.9784 0.9784 1.0460 1.0460 1.1600 1.1600 1.2248 1.2248 2.5503 2.5503 2.8696 2.8696 5.0811 5.0811 5.4393 5.4393 6.3284 6.3284 6.7378 6.7378 9.4092 9.4092 10.1496 10.1496 10.2861 10.2861 10.6628 10.6628 k = 0.4359 0.3997 0.2969 ( 3722 PWs) bands (ev): -33.0613 -33.0613 -14.3621 -14.3621 -14.0001 -14.0001 -13.9715 -13.9715 -2.8850 -2.8850 -2.6081 -2.6081 0.5631 0.5631 0.5690 0.5690 0.6282 0.6282 0.7523 0.7523 0.8859 0.8859 0.9127 0.9127 0.9781 0.9781 1.0474 1.0474 1.1588 1.1588 1.2286 1.2286 2.5642 2.5642 2.8741 2.8741 5.0017 5.0017 5.4435 5.4435 6.2523 6.2523 6.7139 6.7139 9.4424 9.4424 10.1321 10.1321 10.4118 10.4118 10.7913 10.7913 k = 0.4295 0.4108 0.2969 ( 3726 PWs) bands (ev): -33.0612 -33.0612 -14.3621 -14.3621 -13.9996 -13.9996 -13.9724 -13.9724 -2.8744 -2.8744 -2.6087 -2.6087 0.5662 0.5662 0.5697 0.5697 0.6269 0.6269 0.7523 0.7523 0.8868 0.8868 0.9152 0.9152 0.9779 0.9779 1.0484 1.0484 1.1580 1.1580 1.2328 1.2328 2.5791 2.5791 2.8785 2.8785 4.9203 4.9203 5.4451 5.4451 6.1803 6.1803 6.6888 6.6888 9.4762 9.4762 10.1137 10.1137 10.5436 10.5436 10.9240 10.9240 k = 0.4231 0.4219 0.2969 ( 3730 PWs) bands (ev): -33.0612 -33.0612 -14.3622 -14.3622 -13.9991 -13.9991 -13.9734 -13.9734 -2.8631 -2.8631 -2.6095 -2.6095 0.5691 0.5691 0.5707 0.5707 0.6256 0.6256 0.7524 0.7524 0.8875 0.8875 0.9178 0.9178 0.9775 0.9775 1.0489 1.0489 1.1575 1.1575 1.2372 1.2372 2.5949 2.5949 2.8827 2.8827 4.8382 4.8382 5.4424 5.4424 6.1153 6.1153 6.6623 6.6623 9.5108 9.5108 10.0952 10.0952 10.6792 10.6792 11.0583 11.0583 k = 0.4167 0.4330 0.2969 ( 3730 PWs) bands (ev): -33.0612 -33.0612 -14.3623 -14.3623 -13.9985 -13.9985 -13.9744 -13.9744 -2.8511 -2.8511 -2.6106 -2.6106 0.5705 0.5705 0.5733 0.5733 0.6243 0.6243 0.7527 0.7527 0.8882 0.8882 0.9206 0.9206 0.9772 0.9772 1.0490 1.0490 1.1573 1.1573 1.2419 1.2419 2.6116 2.6116 2.8865 2.8865 4.7566 4.7566 5.4335 5.4335 6.0602 6.0602 6.6345 6.6345 9.5460 9.5460 10.0769 10.0769 10.8172 10.8172 11.1916 11.1916 k = 0.4103 0.4441 0.2969 ( 3732 PWs) bands (ev): -33.0611 -33.0611 -14.3624 -14.3624 -13.9980 -13.9980 -13.9754 -13.9754 -2.8385 -2.8385 -2.6121 -2.6121 0.5713 0.5713 0.5766 0.5766 0.6230 0.6230 0.7533 0.7533 0.8888 0.8888 0.9237 0.9237 0.9768 0.9768 1.0486 1.0486 1.1573 1.1573 1.2470 1.2470 2.6289 2.6289 2.8897 2.8897 4.6765 4.6765 5.4170 5.4170 6.0175 6.0175 6.6054 6.6054 9.5817 9.5817 10.0591 10.0591 10.9561 10.9561 11.3207 11.3207 k = 0.4038 0.4552 0.2969 ( 3736 PWs) bands (ev): -33.0611 -33.0611 -14.3625 -14.3625 -13.9974 -13.9974 -13.9765 -13.9765 -2.8255 -2.8255 -2.6140 -2.6140 0.5720 0.5720 0.5799 0.5799 0.6218 0.6218 0.7540 0.7540 0.8891 0.8891 0.9269 0.9269 0.9764 0.9764 1.0477 1.0477 1.1576 1.1576 1.2521 1.2521 2.6467 2.6467 2.8921 2.8921 4.5989 4.5989 5.3921 5.3921 5.9885 5.9885 6.5753 6.5753 9.6177 9.6177 10.0418 10.0418 11.0948 11.0948 11.4413 11.4413 k = 0.3974 0.4663 0.2969 ( 3730 PWs) bands (ev): -33.0611 -33.0611 -14.3626 -14.3626 -13.9967 -13.9967 -13.9776 -13.9776 -2.8120 -2.8120 -2.6164 -2.6164 0.5726 0.5726 0.5833 0.5833 0.6207 0.6207 0.7550 0.7550 0.8893 0.8893 0.9304 0.9304 0.9760 0.9760 1.0465 1.0465 1.1582 1.1582 1.2575 1.2575 2.6646 2.6646 2.8936 2.8936 4.5247 4.5247 5.3597 5.3597 5.9732 5.9732 6.5441 6.5441 9.6536 9.6536 10.0252 10.0252 11.2320 11.2320 11.5479 11.5479 k = 0.3910 0.4774 0.2969 ( 3726 PWs) bands (ev): -33.0610 -33.0610 -14.3626 -14.3626 -13.9961 -13.9961 -13.9787 -13.9787 -2.7982 -2.7982 -2.6192 -2.6192 0.5733 0.5733 0.5865 0.5865 0.6196 0.6196 0.7561 0.7561 0.8894 0.8894 0.9341 0.9341 0.9755 0.9755 1.0450 1.0450 1.1588 1.1588 1.2628 1.2628 2.6825 2.6825 2.8939 2.8939 4.4548 4.4548 5.3219 5.3219 5.9700 5.9700 6.5119 6.5119 9.6891 9.6891 10.0093 10.0093 11.3668 11.3668 11.6338 11.6338 k = 0.3846 0.4885 0.2969 ( 3724 PWs) bands (ev): -33.0610 -33.0610 -14.3627 -14.3627 -13.9954 -13.9954 -13.9798 -13.9798 -2.7842 -2.7842 -2.6227 -2.6227 0.5738 0.5738 0.5896 0.5896 0.6186 0.6186 0.7573 0.7573 0.8892 0.8892 0.9379 0.9379 0.9750 0.9750 1.0432 1.0432 1.1596 1.1596 1.2681 1.2681 2.7002 2.7002 2.8929 2.8929 4.3899 4.3899 5.2815 5.2815 5.9767 5.9767 6.4790 6.4790 9.7238 9.7238 9.9942 9.9942 11.4984 11.4984 11.6932 11.6932 k = 0.3782 0.4996 0.2969 ( 3724 PWs) bands (ev): -33.0610 -33.0610 -14.3628 -14.3628 -13.9947 -13.9947 -13.9809 -13.9809 -2.7701 -2.7701 -2.6268 -2.6268 0.5743 0.5743 0.5925 0.5925 0.6176 0.6176 0.7586 0.7586 0.8889 0.8889 0.9418 0.9418 0.9744 0.9744 1.0414 1.0414 1.1604 1.1604 1.2731 1.2731 2.7172 2.7172 2.8905 2.8905 4.3309 4.3309 5.2409 5.2409 5.9913 5.9913 6.4454 6.4454 9.7572 9.7572 9.9800 9.9800 11.6261 11.6261 11.7258 11.7258 k = 0.3718 0.5107 0.2969 ( 3720 PWs) bands (ev): -33.0609 -33.0609 -14.3629 -14.3629 -13.9940 -13.9940 -13.9819 -13.9819 -2.7561 -2.7561 -2.6316 -2.6316 0.5748 0.5748 0.5952 0.5952 0.6168 0.6168 0.7600 0.7600 0.8885 0.8885 0.9456 0.9456 0.9738 0.9738 1.0395 1.0395 1.1613 1.1613 1.2777 1.2777 2.7335 2.7335 2.8867 2.8867 4.2784 4.2784 5.2025 5.2025 6.0118 6.0118 6.4112 6.4112 9.7888 9.7888 9.9668 9.9668 11.7353 11.7353 11.7515 11.7515 k = 0.3654 0.5218 0.2969 ( 3724 PWs) bands (ev): -33.0609 -33.0609 -14.3630 -14.3630 -13.9933 -13.9933 -13.9830 -13.9830 -2.7422 -2.7422 -2.6372 -2.6372 0.5752 0.5752 0.5976 0.5976 0.6159 0.6159 0.7613 0.7613 0.8880 0.8880 0.9492 0.9492 0.9731 0.9731 1.0378 1.0378 1.1622 1.1622 1.2819 1.2819 2.7486 2.7486 2.8815 2.8815 4.2331 4.2331 5.1678 5.1678 6.0368 6.0368 6.3766 6.3766 9.8179 9.8179 9.9544 9.9544 11.7353 11.7353 11.8682 11.8682 k = 0.3590 0.5329 0.2969 ( 3724 PWs) bands (ev): -33.0609 -33.0609 -14.3630 -14.3630 -13.9926 -13.9926 -13.9839 -13.9839 -2.7285 -2.7285 -2.6437 -2.6437 0.5756 0.5756 0.5997 0.5997 0.6152 0.6152 0.7625 0.7625 0.8875 0.8875 0.9526 0.9526 0.9725 0.9725 1.0362 1.0362 1.1630 1.1630 1.2854 1.2854 2.7623 2.7623 2.8752 2.8752 4.1954 4.1954 5.1382 5.1382 6.0651 6.0651 6.3417 6.3417 9.8440 9.8440 9.9431 9.9431 11.7276 11.7276 11.9804 11.9804 k = 0.3526 0.5440 0.2969 ( 3728 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9919 -13.9919 -13.9848 -13.9848 -2.7153 -2.7153 -2.6510 -2.6510 0.5758 0.5758 0.6014 0.6014 0.6146 0.6146 0.7635 0.7635 0.8870 0.8870 0.9556 0.9556 0.9717 0.9717 1.0349 1.0349 1.1638 1.1638 1.2883 1.2883 2.7743 2.7743 2.8682 2.8682 4.1659 4.1659 5.1145 5.1145 6.0959 6.0959 6.3067 6.3067 9.8664 9.8664 9.9327 9.9327 11.7181 11.7181 12.0853 12.0853 k = 0.3462 0.5551 0.2969 ( 3720 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9913 -13.9913 -13.9855 -13.9855 -2.7025 -2.7025 -2.6593 -2.6593 0.5761 0.5761 0.6027 0.6027 0.6142 0.6142 0.7644 0.7644 0.8866 0.8866 0.9580 0.9580 0.9711 0.9711 1.0340 1.0340 1.1645 1.1645 1.2904 1.2904 2.7839 2.7839 2.8613 2.8613 4.1448 4.1448 5.0972 5.0972 6.1283 6.1283 6.2719 6.2719 9.8848 9.8848 9.9234 9.9234 11.7098 11.7098 12.1802 12.1802 k = 0.3397 0.5662 0.2969 ( 3716 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9909 -13.9909 -13.9860 -13.9860 -2.6905 -2.6905 -2.6685 -2.6685 0.5762 0.5762 0.6036 0.6036 0.6140 0.6140 0.7650 0.7650 0.8864 0.8864 0.9596 0.9596 0.9706 0.9706 1.0334 1.0334 1.1649 1.1649 1.2916 1.2916 2.7904 2.7904 2.8560 2.8560 4.1322 4.1322 5.0868 5.0868 6.1608 6.1608 6.2381 6.2381 9.8985 9.8985 9.9152 9.9152 11.7043 11.7043 12.2596 12.2596 k = 0.3333 0.5774 0.2969 ( 3720 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9908 -13.9908 -13.9862 -13.9862 -2.6811 -2.6811 -2.6769 -2.6769 0.5763 0.5763 0.6038 0.6038 0.6139 0.6139 0.7651 0.7651 0.8863 0.8863 0.9601 0.9601 0.9704 0.9704 1.0333 1.0333 1.1651 1.1651 1.2920 1.2920 2.7927 2.7927 2.8538 2.8538 4.1280 4.1280 5.0833 5.0833 6.1834 6.1834 6.2152 6.2152 9.9061 9.9061 9.9095 9.9095 11.7024 11.7024 12.3008 12.3008 k = 0.3333 0.5774 0.2969 ( 3720 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9908 -13.9908 -13.9862 -13.9862 -2.6811 -2.6811 -2.6769 -2.6769 0.5763 0.5763 0.6038 0.6038 0.6139 0.6139 0.7651 0.7651 0.8863 0.8863 0.9601 0.9601 0.9704 0.9704 1.0333 1.0333 1.1651 1.1651 1.2920 1.2920 2.7927 2.7927 2.8538 2.8538 4.1280 4.1280 5.0833 5.0833 6.1834 6.1834 6.2152 6.2152 9.9061 9.9061 9.9095 9.9095 11.7024 11.7024 12.3008 12.3008 k = 0.3268 0.5660 0.2969 ( 3716 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9909 -13.9909 -13.9860 -13.9860 -2.6909 -2.6909 -2.6682 -2.6682 0.5762 0.5762 0.6036 0.6036 0.6139 0.6139 0.7649 0.7649 0.8864 0.8864 0.9596 0.9596 0.9706 0.9706 1.0334 1.0334 1.1649 1.1649 1.2916 1.2916 2.7905 2.7905 2.8562 2.8562 4.1323 4.1323 5.0869 5.0869 6.1601 6.1601 6.2387 6.2387 9.9013 9.9013 9.9124 9.9124 11.7042 11.7042 12.2723 12.2723 k = 0.3203 0.5547 0.2969 ( 3728 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9913 -13.9913 -13.9856 -13.9856 -2.7037 -2.7037 -2.6587 -2.6587 0.5760 0.5760 0.6029 0.6029 0.6140 0.6140 0.7642 0.7642 0.8867 0.8867 0.9581 0.9581 0.9709 0.9709 1.0338 1.0338 1.1641 1.1641 1.2904 1.2904 2.7853 2.7853 2.8626 2.8626 4.1447 4.1447 5.0975 5.0975 6.1262 6.1262 6.2731 6.2731 9.8962 9.8962 9.9119 9.9119 11.7088 11.7088 12.2283 12.2283 k = 0.3137 0.5434 0.2969 ( 3732 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9918 -13.9918 -13.9849 -13.9849 -2.7177 -2.7177 -2.6504 -2.6504 0.5757 0.5757 0.6019 0.6019 0.6139 0.6139 0.7630 0.7630 0.8874 0.8874 0.9559 0.9559 0.9712 0.9712 1.0344 1.0344 1.1627 1.1627 1.2885 1.2885 2.7791 2.7791 2.8721 2.8721 4.1648 4.1648 5.1150 5.1150 6.0916 6.0916 6.3081 6.3081 9.8923 9.8923 9.9072 9.9072 11.7141 11.7141 12.1838 12.1838 k = 0.3072 0.5321 0.2969 ( 3732 PWs) bands (ev): -33.0609 -33.0609 -14.3630 -14.3630 -13.9923 -13.9923 -13.9842 -13.9842 -2.7331 -2.7331 -2.6434 -2.6434 0.5751 0.5751 0.6006 0.6006 0.6137 0.6137 0.7613 0.7613 0.8884 0.8884 0.9532 0.9532 0.9714 0.9714 1.0350 1.0350 1.1605 1.1605 1.2861 1.2861 2.7738 2.7738 2.8841 2.8841 4.1922 4.1922 5.1389 5.1389 6.0574 6.0574 6.3426 6.3426 9.8895 9.8895 9.8989 9.8989 11.7168 11.7168 12.1442 12.1442 k = 0.3007 0.5207 0.2969 ( 3736 PWs) bands (ev): -33.0609 -33.0609 -14.3629 -14.3629 -13.9928 -13.9928 -13.9833 -13.9833 -2.7496 -2.7496 -2.6377 -2.6377 0.5744 0.5744 0.5992 0.5992 0.6132 0.6132 0.7590 0.7590 0.8896 0.8896 0.9499 0.9499 0.9715 0.9715 1.0355 1.0355 1.1576 1.1576 1.2832 1.2832 2.7707 2.7707 2.8986 2.8986 4.2261 4.2261 5.1689 5.1689 6.0236 6.0236 6.3759 6.3759 9.8854 9.8854 9.8902 9.8902 11.7123 11.7123 12.1144 12.1144 k = 0.2941 0.5094 0.2969 ( 3736 PWs) bands (ev): -33.0610 -33.0610 -14.3627 -14.3627 -13.9932 -13.9932 -13.9825 -13.9825 -2.7675 -2.7675 -2.6336 -2.6336 0.5734 0.5734 0.5976 0.5976 0.6125 0.6125 0.7563 0.7563 0.8911 0.8911 0.9463 0.9463 0.9714 0.9714 1.0358 1.0358 1.1539 1.1539 1.2798 1.2798 2.7706 2.7706 2.9154 2.9154 4.2661 4.2661 5.2046 5.2046 5.9906 5.9906 6.4077 6.4077 9.8730 9.8730 9.8890 9.8890 11.6968 11.6968 12.0980 12.0980 k = 0.2876 0.4981 0.2969 ( 3732 PWs) bands (ev): -33.0610 -33.0610 -14.3625 -14.3625 -13.9935 -13.9935 -13.9816 -13.9816 -2.7866 -2.7866 -2.6311 -2.6311 0.5722 0.5722 0.5960 0.5960 0.6115 0.6115 0.7530 0.7530 0.8929 0.8929 0.9423 0.9423 0.9713 0.9713 1.0358 1.0358 1.1495 1.1495 1.2759 1.2759 2.7744 2.7744 2.9349 2.9349 4.3116 4.3116 5.2457 5.2457 5.9585 5.9585 6.4376 6.4376 9.8584 9.8584 9.8902 9.8902 11.6687 11.6687 12.0953 12.0953 k = 0.2810 0.4868 0.2969 ( 3732 PWs) bands (ev): -33.0611 -33.0611 -14.3623 -14.3623 -13.9938 -13.9938 -13.9807 -13.9807 -2.8069 -2.8069 -2.6303 -2.6303 0.5706 0.5706 0.5942 0.5942 0.6102 0.6102 0.7493 0.7493 0.8949 0.8949 0.9380 0.9380 0.9709 0.9709 1.0355 1.0355 1.1447 1.1447 1.2716 1.2716 2.7829 2.7829 2.9569 2.9569 4.3621 4.3621 5.2916 5.2916 5.9274 5.9274 6.4651 6.4651 9.8434 9.8434 9.8930 9.8930 11.6297 11.6297 12.0992 12.0992 k = 0.2745 0.4755 0.2969 ( 3732 PWs) bands (ev): -33.0611 -33.0611 -14.3620 -14.3620 -13.9940 -13.9940 -13.9798 -13.9798 -2.8285 -2.8285 -2.6312 -2.6312 0.5688 0.5688 0.5924 0.5924 0.6087 0.6087 0.7452 0.7452 0.8970 0.8970 0.9335 0.9335 0.9704 0.9704 1.0348 1.0348 1.1397 1.1397 1.2666 1.2666 2.7964 2.7964 2.9817 2.9817 4.4171 4.4171 5.3420 5.3420 5.8974 5.8974 6.4901 6.4901 9.8288 9.8288 9.8974 9.8974 11.5835 11.5835 12.0836 12.0836 k = 0.2680 0.4641 0.2969 ( 3736 PWs) bands (ev): -33.0612 -33.0612 -14.3617 -14.3617 -13.9942 -13.9942 -13.9789 -13.9789 -2.8512 -2.8512 -2.6339 -2.6339 0.5665 0.5665 0.5903 0.5903 0.6069 0.6069 0.7406 0.7406 0.8991 0.8991 0.9289 0.9289 0.9697 0.9697 1.0336 1.0336 1.1347 1.1347 1.2610 1.2610 2.8155 2.8155 3.0090 3.0090 4.4762 4.4762 5.3964 5.3964 5.8688 5.8688 6.5121 6.5121 9.8154 9.8154 9.9034 9.9034 11.5332 11.5332 12.0579 12.0579 k = 0.2614 0.4528 0.2969 ( 3728 PWs) bands (ev): -33.0613 -33.0613 -14.3613 -14.3613 -13.9942 -13.9942 -13.9779 -13.9779 -2.8751 -2.8751 -2.6384 -2.6384 0.5641 0.5641 0.5881 0.5881 0.6051 0.6051 0.7358 0.7358 0.9009 0.9009 0.9245 0.9245 0.9689 0.9689 1.0323 1.0323 1.1300 1.1300 1.2547 1.2547 2.8405 2.8405 3.0389 3.0389 4.5391 4.5391 5.4544 5.4544 5.8418 5.8418 6.5310 6.5310 9.8039 9.8039 9.9111 9.9111 11.4811 11.4811 12.0332 12.0332 k = 0.2549 0.4415 0.2969 ( 3724 PWs) bands (ev): -33.0614 -33.0614 -14.3609 -14.3609 -13.9942 -13.9942 -13.9770 -13.9770 -2.9001 -2.9001 -2.6447 -2.6447 0.5613 0.5613 0.5857 0.5857 0.6031 0.6031 0.7307 0.7307 0.9018 0.9018 0.9209 0.9209 0.9678 0.9678 1.0306 1.0306 1.1256 1.1256 1.2478 1.2478 2.8716 2.8716 3.0712 3.0712 4.6053 4.6053 5.5156 5.5156 5.8166 5.8166 6.5464 6.5464 9.7947 9.7947 9.9205 9.9205 11.4291 11.4291 12.0100 12.0100 k = 0.2484 0.4302 0.2969 ( 3724 PWs) bands (ev): -33.0615 -33.0615 -14.3605 -14.3605 -13.9941 -13.9941 -13.9760 -13.9760 -2.9261 -2.9261 -2.6528 -2.6528 0.5582 0.5582 0.5829 0.5829 0.6011 0.6011 0.7254 0.7254 0.9007 0.9007 0.9192 0.9192 0.9665 0.9665 1.0288 1.0288 1.1218 1.1218 1.2402 1.2402 2.9089 2.9089 3.1058 3.1058 4.6747 4.6747 5.5792 5.5792 5.7937 5.7937 6.5583 6.5583 9.7884 9.7884 9.9318 9.9318 11.3782 11.3782 11.9876 11.9876 k = 0.2418 0.4189 0.2969 ( 3734 PWs) bands (ev): -33.0616 -33.0616 -14.3600 -14.3600 -13.9940 -13.9940 -13.9750 -13.9750 -2.9530 -2.9530 -2.6626 -2.6626 0.5549 0.5549 0.5797 0.5797 0.5991 0.5991 0.7200 0.7200 0.8972 0.8972 0.9196 0.9196 0.9648 0.9648 1.0269 1.0269 1.1184 1.1184 1.2320 1.2320 2.9524 2.9524 3.1424 3.1424 4.7468 4.7468 5.6440 5.6440 5.7742 5.7742 6.5666 6.5666 9.7850 9.7850 9.9449 9.9449 11.3293 11.3293 11.9648 11.9648 k = 0.2353 0.4075 0.2969 ( 3734 PWs) bands (ev): -33.0617 -33.0617 -14.3595 -14.3595 -13.9938 -13.9938 -13.9741 -13.9741 -2.9808 -2.9808 -2.6742 -2.6742 0.5514 0.5514 0.5761 0.5761 0.5973 0.5973 0.7144 0.7144 0.8922 0.8922 0.9215 0.9215 0.9630 0.9630 1.0253 1.0253 1.1156 1.1156 1.2234 1.2234 3.0021 3.0021 3.1807 3.1807 4.8215 4.8215 5.7031 5.7031 5.7650 5.7650 6.5711 6.5711 9.7849 9.7849 9.9602 9.9602 11.2831 11.2831 11.9396 11.9396 k = 0.2288 0.3962 0.2969 ( 3738 PWs) bands (ev): -33.0618 -33.0618 -14.3590 -14.3590 -13.9935 -13.9935 -13.9731 -13.9731 -3.0094 -3.0094 -2.6875 -2.6875 0.5479 0.5479 0.5722 0.5722 0.5954 0.5954 0.7089 0.7089 0.8864 0.8864 0.9240 0.9240 0.9610 0.9610 1.0238 1.0238 1.1131 1.1131 1.2144 1.2144 3.0578 3.0578 3.2205 3.2205 4.8984 4.8984 5.7208 5.7208 5.8014 5.8014 6.5721 6.5721 9.7880 9.7880 9.9775 9.9775 11.2399 11.2399 11.9063 11.9064 k = 0.2222 0.3849 0.2969 ( 3742 PWs) bands (ev): -33.0619 -33.0619 -14.3584 -14.3584 -13.9932 -13.9932 -13.9721 -13.9721 -3.0387 -3.0387 -2.7023 -2.7023 0.5442 0.5442 0.5680 0.5680 0.5936 0.5936 0.7033 0.7033 0.8802 0.8802 0.9266 0.9266 0.9590 0.9590 1.0226 1.0226 1.1111 1.1111 1.2053 1.2053 3.1194 3.1194 3.2616 3.2616 4.9774 4.9774 5.7122 5.7122 5.8683 5.8683 6.5695 6.5695 9.7941 9.7941 9.9970 9.9970 11.2001 11.2001 11.8490 11.8490 k = 0.2157 0.3736 0.2969 ( 3742 PWs) bands (ev): -33.0620 -33.0620 -14.3578 -14.3578 -13.9928 -13.9928 -13.9711 -13.9711 -3.0685 -3.0685 -2.7187 -2.7187 0.5405 0.5405 0.5637 0.5637 0.5917 0.5917 0.6979 0.6979 0.8738 0.8738 0.9290 0.9290 0.9573 0.9573 1.0218 1.0218 1.1093 1.1093 1.1962 1.1962 3.1864 3.1864 3.3038 3.3038 5.0582 5.0582 5.7028 5.7028 5.9402 5.9402 6.5636 6.5636 9.8032 9.8032 10.0188 10.0188 11.1636 11.1636 11.7866 11.7866 k = 0.2092 0.3623 0.2969 ( 3742 PWs) bands (ev): -33.0622 -33.0622 -14.3571 -14.3571 -13.9923 -13.9923 -13.9700 -13.9700 -3.0988 -3.0988 -2.7364 -2.7364 0.5368 0.5368 0.5592 0.5592 0.5897 0.5897 0.6926 0.6926 0.8674 0.8674 0.9306 0.9306 0.9563 0.9563 1.0213 1.0213 1.1077 1.1077 1.1872 1.1872 3.2584 3.2584 3.3471 3.3471 5.1406 5.1406 5.6959 5.6959 6.0134 6.0134 6.5548 6.5548 9.8149 9.8149 10.0429 10.0429 11.1306 11.1306 11.7258 11.7258 k = 0.2026 0.3509 0.2969 ( 3746 PWs) bands (ev): -33.0623 -33.0623 -14.3564 -14.3564 -13.9918 -13.9918 -13.9690 -13.9690 -3.1295 -3.1295 -2.7554 -2.7554 0.5331 0.5331 0.5547 0.5547 0.5877 0.5877 0.6875 0.6875 0.8608 0.8608 0.9312 0.9312 0.9562 0.9562 1.0211 1.0211 1.1062 1.1062 1.1786 1.1786 3.3333 3.3333 3.3928 3.3928 5.2243 5.2243 5.6926 5.6926 6.0867 6.0867 6.5436 6.5436 9.8290 9.8290 10.0694 10.0694 11.1006 11.1006 11.6683 11.6683 k = 0.1961 0.3396 0.2969 ( 3738 PWs) bands (ev): -33.0625 -33.0625 -14.3557 -14.3557 -13.9913 -13.9913 -13.9679 -13.9679 -3.1605 -3.1605 -2.7755 -2.7755 0.5295 0.5295 0.5502 0.5502 0.5856 0.5856 0.6827 0.6827 0.8543 0.8543 0.9306 0.9306 0.9572 0.9572 1.0213 1.0213 1.1047 1.1047 1.1704 1.1704 3.4034 3.4034 3.4482 3.4482 5.3088 5.3088 5.6935 5.6935 6.1592 6.1592 6.5307 6.5307 9.8449 9.8449 10.0983 10.0983 11.0731 11.0731 11.6155 11.6155 k = 0.1895 0.3283 0.2969 ( 3742 PWs) bands (ev): -33.0626 -33.0626 -14.3550 -14.3550 -13.9907 -13.9907 -13.9668 -13.9668 -3.1916 -3.1916 -2.7967 -2.7967 0.5259 0.5259 0.5458 0.5458 0.5834 0.5834 0.6780 0.6780 0.8478 0.8478 0.9290 0.9290 0.9590 0.9590 1.0217 1.0217 1.1032 1.1032 1.1628 1.1628 3.4560 3.4560 3.5252 3.5252 5.3939 5.3939 5.6993 5.6993 6.2292 6.2292 6.5176 6.5176 9.8623 9.8623 10.1297 10.1297 11.0473 11.0473 11.5679 11.5679 k = 0.1830 0.3170 0.2969 ( 3734 PWs) bands (ev): -33.0628 -33.0628 -14.3542 -14.3542 -13.9901 -13.9901 -13.9656 -13.9656 -3.2227 -3.2227 -2.8187 -2.8187 0.5224 0.5224 0.5416 0.5416 0.5811 0.5811 0.6736 0.6736 0.8414 0.8414 0.9268 0.9268 0.9613 0.9613 1.0226 1.0226 1.1015 1.1015 1.1560 1.1560 3.4987 3.4987 3.6156 3.6156 5.4785 5.4785 5.7111 5.7111 6.2935 6.2935 6.5074 6.5074 9.8809 9.8809 10.1637 10.1637 11.0223 11.0223 11.5215 11.5215 k = 0.1765 0.3057 0.2969 ( 3736 PWs) bands (ev): -33.0629 -33.0629 -14.3534 -14.3534 -13.9895 -13.9895 -13.9644 -13.9644 -3.2538 -3.2538 -2.8415 -2.8415 0.5190 0.5190 0.5376 0.5376 0.5786 0.5786 0.6694 0.6694 0.8351 0.8351 0.9241 0.9241 0.9637 0.9637 1.0238 1.0238 1.0997 1.0997 1.1499 1.1499 3.5376 3.5376 3.7128 3.7128 5.5610 5.5610 5.7307 5.7307 6.3444 6.3444 6.5078 6.5078 9.9000 9.9000 10.2001 10.2001 10.9974 10.9974 11.4609 11.4610 k = 0.1699 0.2943 0.2969 ( 3746 PWs) bands (ev): -33.0631 -33.0631 -14.3527 -14.3527 -13.9890 -13.9890 -13.9633 -13.9633 -3.2848 -3.2848 -2.8648 -2.8648 0.5157 0.5157 0.5337 0.5337 0.5760 0.5760 0.6654 0.6654 0.8288 0.8288 0.9213 0.9213 0.9657 0.9657 1.0254 1.0254 1.0978 1.0978 1.1447 1.1447 3.5737 3.5737 3.8152 3.8152 5.6374 5.6374 5.7623 5.7623 6.3690 6.3690 6.5316 6.5316 9.9193 9.9193 10.2389 10.2389 10.9718 10.9718 11.3919 11.3919 k = 0.1634 0.2830 0.2969 ( 3742 PWs) bands (ev): -33.0633 -33.0633 -14.3519 -14.3519 -13.9884 -13.9884 -13.9620 -13.9620 -3.3154 -3.3154 -2.8886 -2.8886 0.5126 0.5126 0.5302 0.5302 0.5734 0.5734 0.6616 0.6616 0.8226 0.8226 0.9184 0.9184 0.9675 0.9675 1.0276 1.0276 1.0958 1.0958 1.1403 1.1403 3.6072 3.6072 3.9220 3.9220 5.7007 5.7007 5.8127 5.8127 6.3673 6.3673 6.5788 6.5788 9.9382 9.9382 10.2802 10.2802 10.9456 10.9456 11.3206 11.3206 k = 0.1569 0.2717 0.2969 ( 3746 PWs) bands (ev): -33.0634 -33.0634 -14.3511 -14.3511 -13.9878 -13.9878 -13.9608 -13.9608 -3.3457 -3.3457 -2.9128 -2.9128 0.5096 0.5096 0.5268 0.5268 0.5707 0.5707 0.6581 0.6581 0.8165 0.8165 0.9154 0.9154 0.9687 0.9687 1.0303 1.0303 1.0937 1.0937 1.1367 1.1367 3.6378 3.6378 4.0330 4.0330 5.7502 5.7502 5.8827 5.8827 6.3524 6.3524 6.6365 6.6365 9.9560 9.9560 10.3237 10.3237 10.9198 10.9198 11.2481 11.2481 k = 0.1503 0.2604 0.2969 ( 3746 PWs) bands (ev): -33.0636 -33.0636 -14.3503 -14.3503 -13.9872 -13.9872 -13.9595 -13.9595 -3.3755 -3.3755 -2.9370 -2.9370 0.5067 0.5067 0.5238 0.5238 0.5680 0.5680 0.6547 0.6547 0.8106 0.8106 0.9125 0.9125 0.9693 0.9693 1.0336 1.0336 1.0917 1.0917 1.1337 1.1337 3.6655 3.6655 4.1477 4.1477 5.7943 5.7943 5.9636 5.9636 6.3320 6.3320 6.6968 6.6968 9.9718 9.9718 10.3693 10.3693 10.8956 10.8956 11.1751 11.1751 k = 0.1438 0.2491 0.2969 ( 3738 PWs) bands (ev): -33.0637 -33.0637 -14.3495 -14.3495 -13.9866 -13.9866 -13.9581 -13.9581 -3.4047 -3.4047 -2.9613 -2.9613 0.5040 0.5040 0.5211 0.5211 0.5653 0.5653 0.6515 0.6515 0.8048 0.8048 0.9097 0.9097 0.9695 0.9695 1.0373 1.0373 1.0899 1.0899 1.1313 1.1313 3.6902 3.6902 4.2659 4.2659 5.8395 5.8395 6.0487 6.0487 6.3098 6.3098 6.7565 6.7565 9.9846 9.9846 10.4168 10.4168 10.8750 10.8750 11.1020 11.1020 k = 0.1373 0.2377 0.2969 ( 3738 PWs) bands (ev): -33.0639 -33.0639 -14.3488 -14.3488 -13.9861 -13.9861 -13.9568 -13.9568 -3.4332 -3.4332 -2.9855 -2.9855 0.5015 0.5015 0.5187 0.5187 0.5626 0.5626 0.6484 0.6484 0.7991 0.7991 0.9069 0.9069 0.9691 0.9691 1.0415 1.0415 1.0883 1.0883 1.1293 1.1293 3.7118 3.7118 4.3872 4.3872 5.8881 5.8881 6.1346 6.1346 6.2877 6.2877 6.8143 6.8143 9.9929 9.9929 10.4656 10.4656 10.8601 10.8601 11.0291 11.0291 k = 0.1307 0.2264 0.2969 ( 3738 PWs) bands (ev): -33.0641 -33.0641 -14.3480 -14.3480 -13.9855 -13.9855 -13.9554 -13.9554 -3.4610 -3.4610 -3.0095 -3.0095 0.4990 0.4990 0.5165 0.5165 0.5599 0.5599 0.6455 0.6455 0.7935 0.7935 0.9041 0.9041 0.9684 0.9684 1.0459 1.0459 1.0869 1.0869 1.1277 1.1277 3.7304 3.7304 4.5112 4.5112 5.9408 5.9408 6.2148 6.2148 6.2722 6.2722 6.8694 6.8694 9.9953 9.9953 10.5150 10.5150 10.8532 10.8532 10.9570 10.9570 k = 0.1242 0.2151 0.2969 ( 3722 PWs) bands (ev): -33.0642 -33.0642 -14.3472 -14.3472 -13.9850 -13.9850 -13.9541 -13.9541 -3.4880 -3.4880 -3.0331 -3.0331 0.4968 0.4968 0.5147 0.5147 0.5573 0.5573 0.6427 0.6427 0.7881 0.7881 0.9016 0.9016 0.9674 0.9674 1.0506 1.0506 1.0859 1.0859 1.1263 1.1263 3.7460 3.7460 4.6375 4.6375 5.9974 5.9974 6.2335 6.2335 6.3195 6.3195 6.9213 6.9213 9.9903 9.9903 10.5635 10.5635 10.8560 10.8560 10.8869 10.8869 k = 0.1176 0.2038 0.2969 ( 3732 PWs) bands (ev): -33.0644 -33.0644 -14.3465 -14.3465 -13.9845 -13.9845 -13.9527 -13.9527 -3.5140 -3.5140 -3.0561 -3.0561 0.4945 0.4945 0.5131 0.5131 0.5547 0.5547 0.6399 0.6399 0.7828 0.7828 0.8990 0.8990 0.9662 0.9662 1.0554 1.0554 1.0850 1.0850 1.1251 1.1251 3.7589 3.7589 4.7656 4.7656 6.0570 6.0570 6.2189 6.2189 6.4026 6.4026 6.9698 6.9698 9.9765 9.9765 10.6074 10.6074 10.8217 10.8217 10.8704 10.8704 k = 0.1111 0.1925 0.2969 ( 3734 PWs) bands (ev): -33.0646 -33.0646 -14.3458 -14.3458 -13.9841 -13.9841 -13.9513 -13.9513 -3.5391 -3.5391 -3.0786 -3.0786 0.4924 0.4924 0.5118 0.5118 0.5522 0.5522 0.6373 0.6373 0.7778 0.7778 0.8965 0.8965 0.9649 0.9649 1.0601 1.0601 1.0846 1.0846 1.1241 1.1241 3.7692 3.7692 4.8945 4.8945 6.1150 6.1150 6.2100 6.2100 6.4870 6.4870 7.0147 7.0147 9.9533 9.9533 10.6332 10.6332 10.7745 10.7745 10.8963 10.8963 k = 0.1046 0.1811 0.2969 ( 3738 PWs) bands (ev): -33.0647 -33.0647 -14.3452 -14.3452 -13.9837 -13.9837 -13.9500 -13.9500 -3.5630 -3.5630 -3.1004 -3.1004 0.4904 0.4904 0.5107 0.5107 0.5498 0.5498 0.6348 0.6348 0.7729 0.7729 0.8941 0.8941 0.9635 0.9635 1.0645 1.0645 1.0846 1.0846 1.1232 1.1232 3.7771 3.7771 5.0234 5.0234 6.1509 6.1509 6.2300 6.2300 6.5704 6.5704 7.0560 7.0560 9.9203 9.9203 10.6124 10.6124 10.7725 10.7725 10.9340 10.9340 k = 0.0980 0.1698 0.2969 ( 3738 PWs) bands (ev): -33.0649 -33.0649 -14.3445 -14.3445 -13.9833 -13.9833 -13.9487 -13.9487 -3.5859 -3.5859 -3.1214 -3.1214 0.4885 0.4885 0.5099 0.5099 0.5476 0.5476 0.6324 0.6324 0.7683 0.7683 0.8918 0.8918 0.9622 0.9622 1.0685 1.0685 1.0853 1.0853 1.1225 1.1225 3.7830 3.7830 5.1507 5.1507 6.1556 6.1556 6.2891 6.2891 6.6519 6.6519 7.0936 7.0936 9.8776 9.8776 10.5565 10.5565 10.8026 10.8026 10.9827 10.9827 k = 0.0915 0.1585 0.2969 ( 3734 PWs) bands (ev): -33.0650 -33.0650 -14.3439 -14.3439 -13.9829 -13.9829 -13.9473 -13.9473 -3.6075 -3.6075 -3.1414 -3.1414 0.4866 0.4866 0.5093 0.5093 0.5455 0.5455 0.6300 0.6300 0.7639 0.7639 0.8896 0.8896 0.9610 0.9610 1.0716 1.0716 1.0867 1.0867 1.1218 1.1218 3.7870 3.7870 5.2742 5.2742 6.1569 6.1569 6.3615 6.3615 6.7311 6.7311 7.1277 7.1277 9.8253 9.8253 10.4907 10.4907 10.8377 10.8377 11.0411 11.0411 k = 0.0850 0.1472 0.2969 ( 3738 PWs) bands (ev): -33.0651 -33.0651 -14.3433 -14.3433 -13.9826 -13.9826 -13.9461 -13.9461 -3.6279 -3.6279 -3.1605 -3.1605 0.4848 0.4848 0.5090 0.5090 0.5435 0.5435 0.6278 0.6278 0.7598 0.7598 0.8876 0.8876 0.9598 0.9598 1.0738 1.0738 1.0891 1.0891 1.1212 1.1212 3.7895 3.7895 5.3905 5.3905 6.1659 6.1659 6.4384 6.4384 6.8075 6.8075 7.1584 7.1584 9.7636 9.7636 10.4224 10.4224 10.8677 10.8677 11.1076 11.1076 k = 0.0784 0.1358 0.2969 ( 3744 PWs) bands (ev): -33.0653 -33.0653 -14.3428 -14.3428 -13.9823 -13.9823 -13.9449 -13.9449 -3.6470 -3.6470 -3.1784 -3.1784 0.4831 0.4831 0.5087 0.5087 0.5417 0.5417 0.6256 0.6256 0.7559 0.7559 0.8856 0.8856 0.9587 0.9587 1.0752 1.0752 1.0922 1.0922 1.1207 1.1207 3.7906 3.7906 5.4949 5.4949 6.1885 6.1885 6.5176 6.5176 6.8806 6.8806 7.1858 7.1858 9.6926 9.6926 10.3538 10.3538 10.8881 10.8881 11.1795 11.1795 k = 0.0719 0.1245 0.2969 ( 3748 PWs) bands (ev): -33.0654 -33.0654 -14.3423 -14.3423 -13.9821 -13.9821 -13.9437 -13.9437 -3.6647 -3.6647 -3.1952 -3.1952 0.4815 0.4815 0.5086 0.5086 0.5400 0.5400 0.6235 0.6235 0.7524 0.7524 0.8838 0.8838 0.9577 0.9577 1.0760 1.0760 1.0957 1.0957 1.1203 1.1203 3.7908 3.7908 5.5822 5.5822 6.2304 6.2304 6.5979 6.5979 6.9499 6.9499 7.2103 7.2103 9.6126 9.6126 10.2859 10.2859 10.8963 10.8963 11.1928 11.1928 k = 0.0654 0.1132 0.2969 ( 3748 PWs) bands (ev): -33.0655 -33.0655 -14.3418 -14.3418 -13.9818 -13.9818 -13.9426 -13.9426 -3.6811 -3.6811 -3.2108 -3.2108 0.4800 0.4800 0.5087 0.5087 0.5385 0.5385 0.6215 0.6215 0.7491 0.7491 0.8821 0.8821 0.9569 0.9569 1.0765 1.0765 1.0992 1.0992 1.1200 1.1200 3.7901 3.7901 5.6482 5.6482 6.2953 6.2953 6.6780 6.6780 7.0148 7.0148 7.2322 7.2322 9.5238 9.5238 10.2194 10.2194 10.8917 10.8917 11.1066 11.1066 k = 0.0588 0.1019 0.2969 ( 3754 PWs) bands (ev): -33.0656 -33.0656 -14.3414 -14.3414 -13.9816 -13.9816 -13.9416 -13.9416 -3.6960 -3.6960 -3.2251 -3.2251 0.4786 0.4786 0.5088 0.5088 0.5371 0.5371 0.6196 0.6196 0.7462 0.7462 0.8805 0.8805 0.9561 0.9561 1.0768 1.0768 1.1024 1.1024 1.1199 1.1199 3.7888 3.7888 5.6931 5.6931 6.3824 6.3824 6.7572 6.7572 7.0746 7.0746 7.2516 7.2516 9.4267 9.4267 10.1549 10.1549 10.8758 10.8758 11.0245 11.0245 k = 0.0523 0.0906 0.2969 ( 3750 PWs) bands (ev): -33.0657 -33.0657 -14.3410 -14.3410 -13.9814 -13.9814 -13.9407 -13.9407 -3.7094 -3.7094 -3.2380 -3.2380 0.4773 0.4773 0.5090 0.5090 0.5359 0.5359 0.6179 0.6179 0.7435 0.7435 0.8791 0.8791 0.9555 0.9555 1.0770 1.0770 1.1053 1.1053 1.1200 1.1200 3.7872 3.7872 5.7208 5.7208 6.4868 6.4868 6.8342 6.8342 7.1286 7.1286 7.2692 7.2692 9.3225 9.3225 10.0932 10.0932 10.8518 10.8518 10.9505 10.9505 k = 0.0458 0.0792 0.2969 ( 3746 PWs) bands (ev): -33.0658 -33.0658 -14.3407 -14.3407 -13.9812 -13.9812 -13.9398 -13.9398 -3.7213 -3.7213 -3.2495 -3.2495 0.4761 0.4761 0.5093 0.5093 0.5349 0.5349 0.6163 0.6163 0.7412 0.7412 0.8779 0.8779 0.9549 0.9549 1.0772 1.0772 1.1077 1.1077 1.1204 1.1204 3.7853 3.7853 5.7366 5.7366 6.6021 6.6021 6.9081 6.9081 7.1762 7.1762 7.2854 7.2854 9.2129 9.2129 10.0351 10.0351 10.8227 10.8227 10.8856 10.8856 k = 0.0392 0.0679 0.2969 ( 3742 PWs) bands (ev): -33.0658 -33.0658 -14.3404 -14.3404 -13.9811 -13.9811 -13.9391 -13.9391 -3.7317 -3.7317 -3.2596 -3.2596 0.4751 0.4751 0.5096 0.5096 0.5341 0.5341 0.6149 0.6149 0.7392 0.7392 0.8768 0.8768 0.9545 0.9545 1.0774 1.0774 1.1095 1.1095 1.1211 1.1211 3.7834 3.7834 5.7450 5.7450 6.7218 6.7218 6.9776 6.9776 7.2164 7.2164 7.3008 7.3008 9.1000 9.1000 9.9814 9.9814 10.7917 10.7917 10.8304 10.8304 k = 0.0327 0.0566 0.2969 ( 3734 PWs) bands (ev): -33.0659 -33.0659 -14.3401 -14.3401 -13.9809 -13.9809 -13.9384 -13.9384 -3.7406 -3.7406 -3.2682 -3.2682 0.4742 0.4742 0.5099 0.5099 0.5334 0.5334 0.6137 0.6137 0.7375 0.7375 0.8760 0.8760 0.9541 0.9541 1.0775 1.0775 1.1108 1.1108 1.1221 1.1221 3.7815 3.7815 5.7489 5.7489 6.8400 6.8400 7.0414 7.0414 7.2489 7.2489 7.3160 7.3160 8.9872 8.9872 9.9332 9.9332 10.7610 10.7610 10.7850 10.7850 k = 0.0261 0.0453 0.2969 ( 3736 PWs) bands (ev): -33.0659 -33.0659 -14.3399 -14.3399 -13.9808 -13.9808 -13.9379 -13.9379 -3.7478 -3.7478 -3.2753 -3.2753 0.4735 0.4735 0.5101 0.5101 0.5328 0.5328 0.6126 0.6126 0.7362 0.7362 0.8752 0.8752 0.9538 0.9538 1.0776 1.0776 1.1115 1.1115 1.1231 1.1231 3.7798 3.7798 5.7503 5.7503 6.9504 6.9504 7.0983 7.0983 7.2746 7.2746 7.3307 7.3307 8.8787 8.8787 9.8916 9.8916 10.7323 10.7323 10.7495 10.7495 k = 0.0196 0.0340 0.2969 ( 3732 PWs) bands (ev): -33.0660 -33.0660 -14.3397 -14.3397 -13.9807 -13.9807 -13.9374 -13.9374 -3.7535 -3.7535 -3.2808 -3.2808 0.4729 0.4729 0.5102 0.5102 0.5324 0.5324 0.6117 0.6117 0.7351 0.7351 0.8746 0.8746 0.9536 0.9536 1.0777 1.0777 1.1120 1.1120 1.1241 1.1241 3.7784 3.7784 5.7504 5.7504 7.0452 7.0452 7.1466 7.1466 7.2959 7.2959 7.3437 7.3437 8.7804 8.7804 9.8578 9.8578 10.7076 10.7076 10.7234 10.7234 k = 0.0131 0.0226 0.2969 ( 3736 PWs) bands (ev): -33.0660 -33.0660 -14.3396 -14.3396 -13.9807 -13.9807 -13.9371 -13.9371 -3.7575 -3.7575 -3.2848 -3.2848 0.4725 0.4725 0.5104 0.5104 0.5321 0.5321 0.6111 0.6111 0.7343 0.7343 0.8742 0.8742 0.9534 0.9534 1.0778 1.0778 1.1122 1.1122 1.1248 1.1248 3.7774 3.7774 5.7501 5.7501 7.1157 7.1157 7.1842 7.1842 7.3165 7.3165 7.3534 7.3534 8.6998 8.6998 9.8328 9.8328 10.6888 10.6888 10.7053 10.7053 k = 0.0065 0.0113 0.2969 ( 3744 PWs) bands (ev): -33.0660 -33.0660 -14.3396 -14.3396 -13.9807 -13.9807 -13.9370 -13.9370 -3.7600 -3.7600 -3.2872 -3.2872 0.4722 0.4722 0.5104 0.5104 0.5319 0.5319 0.6107 0.6107 0.7339 0.7339 0.8739 0.8739 0.9533 0.9533 1.0778 1.0778 1.1123 1.1123 1.1253 1.1253 3.7767 3.7767 5.7497 5.7497 7.1570 7.1570 7.2074 7.2074 7.3352 7.3352 7.3590 7.3590 8.6459 8.6459 9.8174 9.8174 10.6772 10.6772 10.6944 10.6944 k = 0.0000 0.0000 0.2969 ( 3736 PWs) bands (ev): -33.0660 -33.0660 -14.3396 -14.3396 -13.9807 -13.9807 -13.9369 -13.9369 -3.7608 -3.7608 -3.2880 -3.2880 0.4722 0.4722 0.5105 0.5105 0.5319 0.5319 0.6106 0.6106 0.7337 0.7337 0.8738 0.8738 0.9533 0.9533 1.0778 1.0778 1.1123 1.1123 1.1255 1.1255 3.7765 3.7765 5.7495 5.7495 7.1703 7.1703 7.2150 7.2150 7.3434 7.3434 7.3608 7.3608 8.6268 8.6268 9.8122 9.8122 10.6734 10.6734 10.6909 10.6909 k = 0.5000 0.2887 0.2969 ( 3736 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9668 -13.9668 -2.9386 -2.9386 -2.6077 -2.6077 0.5453 0.5453 0.5653 0.5653 0.6359 0.6359 0.7562 0.7562 0.8835 0.8835 0.8955 0.8955 0.9795 0.9795 1.0341 1.0341 1.1717 1.1717 1.2059 1.2059 2.4880 2.4880 2.8455 2.8455 5.3727 5.3727 5.5312 5.5312 6.7505 6.7505 6.9102 6.9102 9.2047 9.2047 9.6427 9.6427 10.0177 10.0177 10.2578 10.2578 k = 0.5000 0.2887 0.2840 ( 3742 PWs) bands (ev): -33.0614 -33.0614 -14.3618 -14.3618 -14.0024 -14.0024 -13.9668 -13.9668 -2.9385 -2.9385 -2.6079 -2.6079 0.5454 0.5454 0.5653 0.5653 0.6359 0.6359 0.7562 0.7562 0.8835 0.8835 0.8956 0.8956 0.9796 0.9796 1.0341 1.0341 1.1717 1.1717 1.2058 1.2058 2.4870 2.4870 2.8485 2.8485 5.3702 5.3702 5.5313 5.5313 6.7474 6.7474 6.9072 6.9072 9.1992 9.1992 9.6558 9.6558 9.9999 9.9999 10.2826 10.2826 k = 0.5000 0.2887 0.2710 ( 3738 PWs) bands (ev): -33.0614 -33.0614 -14.3618 -14.3618 -14.0024 -14.0024 -13.9668 -13.9668 -2.9381 -2.9381 -2.6086 -2.6086 0.5458 0.5458 0.5654 0.5654 0.6360 0.6360 0.7562 0.7562 0.8836 0.8836 0.8958 0.8958 0.9797 0.9797 1.0341 1.0341 1.1716 1.1716 1.2058 1.2058 2.4842 2.4842 2.8571 2.8571 5.3626 5.3626 5.5319 5.5319 6.7377 6.7377 6.8983 6.8983 9.1843 9.1843 9.6927 9.6927 9.9610 9.9610 10.3426 10.3426 k = 0.5000 0.2887 0.2581 ( 3734 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9668 -13.9668 -2.9376 -2.9376 -2.6098 -2.6098 0.5464 0.5464 0.5656 0.5656 0.6362 0.6362 0.7562 0.7562 0.8837 0.8837 0.8961 0.8961 0.9799 0.9799 1.0341 1.0341 1.1715 1.1715 1.2056 1.2056 2.4798 2.4798 2.8711 2.8711 5.3501 5.3501 5.5332 5.5332 6.7208 6.7208 6.8850 6.8850 9.1640 9.1640 9.7484 9.7484 9.9192 9.9192 10.4200 10.4200 k = 0.5000 0.2887 0.2452 ( 3728 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9368 -2.9368 -2.6114 -2.6114 0.5473 0.5473 0.5659 0.5659 0.6364 0.6364 0.7562 0.7562 0.8840 0.8840 0.8965 0.8965 0.9802 0.9802 1.0341 1.0341 1.1713 1.1713 1.2054 1.2054 2.4745 2.4745 2.8897 2.8897 5.3327 5.3327 5.5351 5.5351 6.6956 6.6956 6.8689 6.8689 9.1412 9.1412 9.8155 9.8155 9.8854 9.8854 10.5070 10.5070 k = 0.5000 0.2887 0.2323 ( 3724 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9358 -2.9358 -2.6135 -2.6135 0.5483 0.5483 0.5662 0.5662 0.6367 0.6367 0.7562 0.7562 0.8843 0.8843 0.8970 0.8970 0.9806 0.9806 1.0341 1.0341 1.1710 1.1710 1.2052 1.2052 2.4686 2.4686 2.9126 2.9126 5.3108 5.3108 5.5380 5.5380 6.6616 6.6616 6.8516 6.8516 9.1175 9.1175 9.8436 9.8436 9.9100 9.9100 10.6000 10.6000 k = 0.5000 0.2887 0.2194 ( 3722 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9347 -2.9347 -2.6159 -2.6159 0.5495 0.5495 0.5666 0.5666 0.6370 0.6370 0.7561 0.7561 0.8846 0.8846 0.8976 0.8976 0.9809 0.9809 1.0340 1.0340 1.1707 1.1707 1.2049 1.2049 2.4626 2.4626 2.9389 2.9389 5.2849 5.2849 5.5419 5.5419 6.6187 6.6187 6.8343 6.8343 9.0934 9.0934 9.8295 9.8295 9.9955 9.9955 10.6970 10.6970 k = 0.5000 0.2887 0.2065 ( 3718 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9333 -2.9333 -2.6186 -2.6186 0.5508 0.5508 0.5670 0.5670 0.6374 0.6374 0.7561 0.7561 0.8851 0.8851 0.8982 0.8982 0.9814 0.9814 1.0340 1.0340 1.1703 1.1703 1.2046 1.2046 2.4568 2.4568 2.9681 2.9681 5.2555 5.2555 5.5467 5.5467 6.5680 6.5680 6.8173 6.8173 9.0687 9.0687 9.8241 9.8241 10.0897 10.0897 10.7968 10.7968 k = 0.5000 0.2887 0.1936 ( 3718 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9318 -2.9318 -2.6217 -2.6217 0.5523 0.5523 0.5675 0.5675 0.6378 0.6378 0.7561 0.7561 0.8856 0.8856 0.8988 0.8988 0.9820 0.9820 1.0339 1.0339 1.1699 1.1699 1.2043 1.2043 2.4516 2.4516 2.9997 2.9997 5.2234 5.2234 5.5523 5.5523 6.5107 6.5107 6.8006 6.8006 9.0433 9.0433 9.8302 9.8302 10.1879 10.1879 10.8984 10.8984 k = 0.5000 0.2887 0.1807 ( 3706 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9302 -2.9302 -2.6250 -2.6250 0.5538 0.5538 0.5680 0.5680 0.6383 0.6383 0.7560 0.7560 0.8862 0.8862 0.8995 0.8995 0.9826 0.9826 1.0338 1.0338 1.1695 1.1695 1.2040 1.2040 2.4471 2.4471 3.0332 3.0332 5.1893 5.1893 5.5587 5.5587 6.4485 6.4485 6.7843 6.7843 9.0171 9.0171 9.8481 9.8481 10.2877 10.2877 11.0010 11.0010 k = 0.5000 0.2887 0.1678 ( 3706 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9284 -2.9284 -2.6286 -2.6286 0.5554 0.5554 0.5686 0.5686 0.6388 0.6388 0.7560 0.7560 0.8868 0.8868 0.9001 0.9001 0.9832 0.9832 1.0337 1.0337 1.1690 1.1690 1.2036 1.2036 2.4435 2.4435 3.0680 3.0680 5.1539 5.1539 5.5657 5.5657 6.3829 6.3829 6.7681 6.7681 8.9903 8.9903 9.8770 9.8770 10.3868 10.3868 11.1040 11.1040 k = 0.5000 0.2887 0.1549 ( 3712 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9265 -2.9265 -2.6322 -2.6322 0.5569 0.5569 0.5692 0.5692 0.6393 0.6393 0.7559 0.7559 0.8875 0.8875 0.9007 0.9007 0.9839 0.9839 1.0335 1.0335 1.1685 1.1685 1.2032 1.2032 2.4407 2.4407 3.1038 3.1038 5.1179 5.1179 5.5732 5.5732 6.3153 6.3153 6.7520 6.7520 8.9634 8.9634 9.9158 9.9158 10.4828 10.4828 11.2073 11.2073 k = 0.5000 0.2887 0.1420 ( 3716 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9246 -2.9246 -2.6360 -2.6360 0.5584 0.5584 0.5698 0.5698 0.6399 0.6399 0.7558 0.7558 0.8883 0.8883 0.9012 0.9012 0.9846 0.9846 1.0333 1.0333 1.1680 1.1680 1.2027 1.2027 2.4387 2.4387 3.1399 3.1399 5.0821 5.0821 5.5810 5.5810 6.2470 6.2470 6.7362 6.7362 8.9369 8.9369 9.9631 9.9631 10.5731 10.5731 11.3111 11.3111 k = 0.5000 0.2887 0.1291 ( 3720 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9227 -2.9227 -2.6397 -2.6397 0.5598 0.5598 0.5705 0.5705 0.6404 0.6404 0.7557 0.7557 0.8891 0.8891 0.9016 0.9016 0.9852 0.9852 1.0330 1.0330 1.1675 1.1675 1.2023 1.2023 2.4376 2.4376 3.1759 3.1759 5.0471 5.0471 5.5891 5.5891 6.1794 6.1794 6.7207 6.7207 8.9113 8.9113 10.0176 10.0176 10.6547 10.6547 11.4156 11.4156 k = 0.5000 0.2887 0.1162 ( 3710 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9207 -2.9207 -2.6434 -2.6434 0.5612 0.5612 0.5712 0.5712 0.6410 0.6410 0.7557 0.7557 0.8900 0.8900 0.9019 0.9019 0.9859 0.9859 1.0329 1.0329 1.1670 1.1670 1.2020 1.2020 2.4371 2.4371 3.2113 3.2113 5.0136 5.0136 5.5971 5.5971 6.1136 6.1136 6.7057 6.7057 8.8870 8.8870 10.0781 10.0781 10.7249 10.7249 11.5217 11.5217 k = 0.5000 0.2887 0.1033 ( 3714 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9188 -2.9188 -2.6470 -2.6470 0.5624 0.5624 0.5718 0.5718 0.6415 0.6415 0.7556 0.7556 0.8909 0.8909 0.9022 0.9022 0.9866 0.9866 1.0326 1.0326 1.1665 1.1665 1.2016 1.2016 2.4373 2.4373 3.2454 3.2454 4.9822 4.9822 5.6050 5.6050 6.0507 6.0507 6.6915 6.6915 8.8645 8.8645 10.1432 10.1432 10.7811 10.7811 11.6297 11.6297 k = 0.5000 0.2887 0.0903 ( 3714 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9170 -2.9170 -2.6504 -2.6504 0.5634 0.5634 0.5725 0.5725 0.6421 0.6421 0.7555 0.7555 0.8919 0.8919 0.9023 0.9023 0.9873 0.9873 1.0323 1.0323 1.1661 1.1661 1.2013 1.2013 2.4379 2.4379 3.2777 3.2777 4.9532 4.9532 5.6125 5.6125 5.9918 5.9918 6.6782 6.6782 8.8441 8.8441 10.2117 10.2117 10.8216 10.8216 11.7396 11.7396 k = 0.5000 0.2887 0.0774 ( 3706 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9153 -2.9153 -2.6535 -2.6535 0.5643 0.5643 0.5732 0.5732 0.6426 0.6426 0.7555 0.7555 0.8928 0.8928 0.9023 0.9023 0.9880 0.9880 1.0321 1.0321 1.1657 1.1657 1.2010 1.2010 2.4388 2.4388 3.3074 3.3074 4.9273 4.9273 5.6195 5.6195 5.9381 5.9381 6.6662 6.6662 8.8259 8.8259 10.2825 10.2825 10.8458 10.8458 11.8504 11.8504 k = 0.5000 0.2887 0.0645 ( 3690 PWs) bands (ev): -33.0614 -33.0614 -14.3616 -14.3616 -14.0023 -14.0023 -13.9666 -13.9666 -2.9138 -2.9138 -2.6562 -2.6562 0.5652 0.5652 0.5739 0.5739 0.6431 0.6431 0.7555 0.7555 0.8938 0.8938 0.9023 0.9023 0.9886 0.9886 1.0319 1.0319 1.1653 1.1653 1.2007 1.2007 2.4400 2.4400 3.3340 3.3340 4.9048 4.9048 5.6258 5.6258 5.8904 5.8904 6.6555 6.6555 8.8103 8.8103 10.3544 10.3544 10.8537 10.8537 11.9601 11.9601 k = 0.5000 0.2887 0.0516 ( 3700 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0023 -14.0023 -13.9666 -13.9666 -2.9125 -2.9125 -2.6586 -2.6586 0.5657 0.5657 0.5744 0.5744 0.6435 0.6435 0.7554 0.7554 0.8946 0.8946 0.9021 0.9021 0.9891 0.9891 1.0316 1.0316 1.1650 1.1650 1.2005 1.2005 2.4411 2.4411 3.3568 3.3568 4.8860 4.8860 5.6312 5.6312 5.8499 5.8499 6.6464 6.6464 8.7973 8.7973 10.4262 10.4262 10.8464 10.8464 12.0650 12.0650 k = 0.5000 0.2887 0.0387 ( 3716 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9114 -2.9114 -2.6605 -2.6605 0.5661 0.5661 0.5748 0.5748 0.6437 0.6437 0.7553 0.7553 0.8953 0.8953 0.9019 0.9019 0.9894 0.9894 1.0314 1.0314 1.1647 1.1647 1.2003 1.2003 2.4421 2.4421 3.3753 3.3753 4.8711 4.8711 5.6357 5.6357 5.8173 5.8173 6.6391 6.6391 8.7871 8.7871 10.4965 10.4965 10.8254 10.8254 12.1598 12.1598 k = 0.5000 0.2887 0.0258 ( 3712 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9106 -2.9106 -2.6618 -2.6618 0.5664 0.5664 0.5752 0.5752 0.6439 0.6439 0.7553 0.7553 0.8960 0.8960 0.9016 0.9016 0.9898 0.9898 1.0312 1.0312 1.1645 1.1645 1.2002 1.2002 2.4430 2.4430 3.3889 3.3889 4.8604 4.8604 5.6389 5.6389 5.7934 5.7934 6.6338 6.6338 8.7798 8.7798 10.5638 10.5638 10.7929 10.7929 12.2370 12.2371 k = 0.5000 0.2887 0.0129 ( 3716 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9101 -2.9101 -2.6627 -2.6627 0.5666 0.5666 0.5754 0.5754 0.6441 0.6441 0.7552 0.7552 0.8964 0.8964 0.9015 0.9015 0.9899 0.9899 1.0311 1.0311 1.1644 1.1644 1.2000 1.2000 2.4435 2.4435 3.3972 3.3972 4.8540 4.8540 5.6410 5.6410 5.7788 5.7788 6.6306 6.6306 8.7754 8.7754 10.6250 10.6250 10.7523 10.7523 12.2879 12.2879 k = 0.5000 0.2887-0.0000 ( 3718 PWs) bands (ev): -33.0614 -33.0614 -14.3617 -14.3617 -14.0024 -14.0024 -13.9667 -13.9667 -2.9100 -2.9100 -2.6630 -2.6630 0.5666 0.5666 0.5754 0.5754 0.6441 0.6441 0.7552 0.7552 0.8965 0.8965 0.9014 0.9014 0.9900 0.9900 1.0310 1.0310 1.1643 1.1643 1.2000 1.2000 2.4437 2.4437 3.4000 3.4000 4.8518 4.8518 5.6416 5.6416 5.7738 5.7738 6.6295 6.6295 8.7739 8.7739 10.6621 10.6621 10.7221 10.7221 12.3056 12.3056 k = 0.3333 0.5774-0.0000 ( 3726 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9909 -13.9909 -13.9862 -13.9862 -2.6888 -2.6888 -2.6844 -2.6844 0.5793 0.5793 0.6099 0.6099 0.6110 0.6110 0.7775 0.7775 0.8948 0.8948 0.9714 0.9714 0.9781 0.9781 1.0324 1.0324 1.1695 1.1695 1.2885 1.2885 2.9936 2.9936 3.0642 3.0642 3.7413 3.7413 5.5074 5.5074 5.5124 5.5124 5.7500 5.7500 10.7334 10.7334 10.9882 10.9882 11.0134 11.0134 11.6900 11.6900 k = 0.3333 0.5774 0.0129 ( 3726 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9909 -13.9909 -13.9862 -13.9862 -2.6887 -2.6887 -2.6844 -2.6844 0.5792 0.5792 0.6099 0.6099 0.6110 0.6110 0.7774 0.7774 0.8948 0.8948 0.9713 0.9713 0.9781 0.9781 1.0324 1.0324 1.1695 1.1695 1.2885 1.2885 2.9925 2.9925 3.0630 3.0630 3.7426 3.7426 5.5102 5.5102 5.5153 5.5153 5.7476 5.7476 10.7379 10.7379 10.9811 10.9811 11.0061 11.0061 11.6953 11.6953 k = 0.3333 0.5774 0.0258 ( 3726 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9909 -13.9909 -13.9862 -13.9862 -2.6886 -2.6886 -2.6843 -2.6843 0.5792 0.5792 0.6098 0.6098 0.6110 0.6110 0.7772 0.7772 0.8947 0.8947 0.9712 0.9712 0.9780 0.9780 1.0325 1.0325 1.1694 1.1694 1.2885 1.2885 2.9893 2.9893 3.0596 3.0596 3.7465 3.7465 5.5183 5.5183 5.5240 5.5240 5.7404 5.7404 10.7513 10.7513 10.9603 10.9603 10.9850 10.9850 11.7108 11.7108 k = 0.3333 0.5774 0.0387 ( 3735 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9909 -13.9909 -13.9862 -13.9862 -2.6885 -2.6885 -2.6841 -2.6841 0.5791 0.5791 0.6096 0.6096 0.6111 0.6111 0.7769 0.7769 0.8945 0.8945 0.9709 0.9709 0.9777 0.9777 1.0325 1.0325 1.1693 1.1693 1.2886 1.2886 2.9840 2.9840 3.0540 3.0540 3.7529 3.7529 5.5313 5.5313 5.5384 5.5384 5.7289 5.7289 10.7733 10.7733 10.9276 10.9276 10.9517 10.9517 11.7346 11.7347 k = 0.3333 0.5774 0.0516 ( 3735 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9909 -13.9909 -13.9862 -13.9862 -2.6882 -2.6882 -2.6839 -2.6839 0.5790 0.5790 0.6094 0.6094 0.6112 0.6112 0.7766 0.7766 0.8942 0.8942 0.9705 0.9705 0.9774 0.9774 1.0325 1.0325 1.1691 1.1691 1.2887 1.2887 2.9768 2.9768 3.0464 3.0464 3.7619 3.7619 5.5484 5.5484 5.5581 5.5581 5.7140 5.7140 10.8036 10.8036 10.8849 10.8849 10.9084 10.9084 11.7650 11.7650 k = 0.3333 0.5774 0.0645 ( 3735 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9909 -13.9909 -13.9862 -13.9862 -2.6879 -2.6879 -2.6836 -2.6836 0.5789 0.5789 0.6092 0.6092 0.6113 0.6113 0.7761 0.7761 0.8939 0.8939 0.9701 0.9701 0.9771 0.9771 1.0326 1.0326 1.1689 1.1689 1.2889 1.2889 2.9679 2.9679 3.0370 3.0370 3.7733 3.7733 5.5670 5.5670 5.5829 5.5829 5.6979 5.6979 10.8344 10.8344 10.8392 10.8392 10.8596 10.8596 11.8000 11.8000 k = 0.3333 0.5774 0.0774 ( 3729 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9909 -13.9909 -13.9862 -13.9862 -2.6876 -2.6876 -2.6832 -2.6832 0.5788 0.5788 0.6089 0.6089 0.6114 0.6114 0.7755 0.7755 0.8936 0.8936 0.9696 0.9696 0.9767 0.9767 1.0326 1.0326 1.1687 1.1687 1.2890 1.2890 2.9575 2.9575 3.0261 3.0261 3.7871 3.7871 5.5814 5.5814 5.6124 5.6124 5.6867 5.6867 10.7776 10.7776 10.7976 10.7976 10.8891 10.8891 11.8380 11.8380 k = 0.3333 0.5774 0.0903 ( 3735 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9909 -13.9909 -13.9862 -13.9862 -2.6872 -2.6872 -2.6828 -2.6828 0.5786 0.5786 0.6086 0.6086 0.6115 0.6115 0.7748 0.7748 0.8931 0.8931 0.9690 0.9690 0.9763 0.9763 1.0327 1.0327 1.1684 1.1684 1.2892 1.2892 2.9459 2.9459 3.0139 3.0139 3.8032 3.8032 5.5802 5.5802 5.6460 5.6460 5.6914 5.6914 10.7162 10.7162 10.7351 10.7351 10.9414 10.9414 11.8777 11.8777 k = 0.3333 0.5774 0.1033 ( 3735 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9909 -13.9909 -13.9862 -13.9862 -2.6867 -2.6867 -2.6824 -2.6824 0.5785 0.5785 0.6083 0.6083 0.6117 0.6117 0.7741 0.7741 0.8927 0.8927 0.9683 0.9683 0.9758 0.9758 1.0327 1.0327 1.1682 1.1682 1.2894 1.2894 2.9333 2.9333 3.0006 3.0006 3.8214 3.8214 5.5603 5.5603 5.6833 5.6833 5.7151 5.7151 10.6513 10.6513 10.6687 10.6687 10.9998 10.9998 11.9181 11.9181 k = 0.3333 0.5774 0.1162 ( 3729 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9908 -13.9908 -13.9862 -13.9862 -2.6862 -2.6862 -2.6819 -2.6819 0.5783 0.5783 0.6079 0.6079 0.6119 0.6119 0.7734 0.7734 0.8922 0.8922 0.9676 0.9676 0.9753 0.9753 1.0328 1.0328 1.1679 1.1679 1.2896 1.2896 2.9201 2.9201 2.9867 2.9867 3.8416 3.8416 5.5295 5.5295 5.7235 5.7235 5.7499 5.7499 10.5839 10.5839 10.5997 10.5997 11.0633 11.0633 11.9587 11.9587 k = 0.3333 0.5774 0.1291 ( 3732 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9908 -13.9908 -13.9862 -13.9862 -2.6857 -2.6857 -2.6815 -2.6815 0.5781 0.5781 0.6075 0.6075 0.6121 0.6121 0.7726 0.7726 0.8916 0.8916 0.9669 0.9669 0.9748 0.9748 1.0329 1.0329 1.1676 1.1676 1.2899 1.2899 2.9065 2.9065 2.9725 2.9725 3.8636 3.8636 5.4930 5.4930 5.7661 5.7661 5.7904 5.7904 10.5150 10.5150 10.5290 10.5290 11.1306 11.1306 11.9986 11.9986 k = 0.3333 0.5774 0.1420 ( 3726 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9908 -13.9908 -13.9862 -13.9862 -2.6852 -2.6852 -2.6809 -2.6809 0.5779 0.5779 0.6071 0.6071 0.6123 0.6123 0.7717 0.7717 0.8911 0.8911 0.9661 0.9661 0.9742 0.9742 1.0330 1.0330 1.1673 1.1673 1.2901 1.2901 2.8927 2.8927 2.9581 2.9581 3.8872 3.8872 5.4534 5.4534 5.8104 5.8104 5.8341 5.8341 10.4455 10.4455 10.4578 10.4578 11.2004 11.2004 12.0320 12.0320 k = 0.3333 0.5774 0.1549 ( 3717 PWs) bands (ev): -33.0608 -33.0608 -14.3631 -14.3631 -13.9908 -13.9908 -13.9862 -13.9862 -2.6847 -2.6847 -2.6804 -2.6804 0.5778 0.5778 0.6067 0.6067 0.6125 0.6125 0.7709 0.7709 0.8905 0.8905 0.9654 0.9654 0.9738 0.9738 1.0330 1.0330 1.1670 1.1670 1.2904 1.2904 2.8791 2.8791 2.9439 2.9439 3.9120 3.9120 5.4118 5.4118 5.8556 5.8556 5.8795 5.8795 10.3764 10.3764 10.3868 10.3868 11.2714 11.2714 12.0542 12.0542 k = 0.3333 0.5774 0.1678 ( 3717 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9908 -13.9908 -13.9862 -13.9862 -2.6842 -2.6842 -2.6799 -2.6799 0.5775 0.5775 0.6063 0.6063 0.6127 0.6127 0.7701 0.7701 0.8899 0.8899 0.9646 0.9646 0.9733 0.9733 1.0330 1.0330 1.1667 1.1667 1.2906 1.2906 2.8659 2.8659 2.9301 2.9301 3.9378 3.9378 5.3693 5.3693 5.9010 5.9010 5.9254 5.9254 10.3086 10.3086 10.3171 10.3171 11.3415 11.3415 12.0803 12.0803 k = 0.3333 0.5774 0.1807 ( 3717 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9908 -13.9908 -13.9862 -13.9862 -2.6836 -2.6836 -2.6794 -2.6794 0.5774 0.5774 0.6059 0.6059 0.6129 0.6129 0.7693 0.7693 0.8894 0.8894 0.9639 0.9639 0.9727 0.9727 1.0331 1.0331 1.1664 1.1664 1.2908 1.2908 2.8533 2.8533 2.9169 2.9169 3.9643 3.9643 5.3267 5.3267 5.9457 5.9457 5.9709 5.9709 10.2431 10.2431 10.2497 10.2497 11.4091 11.4091 12.1111 12.1111 k = 0.3333 0.5774 0.1936 ( 3717 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9908 -13.9908 -13.9862 -13.9862 -2.6832 -2.6832 -2.6790 -2.6790 0.5772 0.5772 0.6055 0.6055 0.6131 0.6131 0.7685 0.7685 0.8888 0.8888 0.9632 0.9632 0.9723 0.9723 1.0331 1.0331 1.1662 1.1662 1.2911 1.2911 2.8415 2.8415 2.9046 2.9046 3.9908 3.9908 5.2849 5.2849 5.9888 5.9888 6.0151 6.0151 10.1808 10.1808 10.1856 10.1856 11.4720 11.4720 12.1471 12.1471 k = 0.3333 0.5774 0.2065 ( 3723 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9908 -13.9908 -13.9862 -13.9862 -2.6827 -2.6827 -2.6785 -2.6785 0.5769 0.5769 0.6051 0.6051 0.6132 0.6132 0.7678 0.7678 0.8883 0.8883 0.9625 0.9625 0.9719 0.9719 1.0331 1.0331 1.1659 1.1659 1.2912 1.2912 2.8307 2.8307 2.8933 2.8933 4.0170 4.0170 5.2446 5.2446 6.0296 6.0296 6.0569 6.0569 10.1227 10.1227 10.1258 10.1258 11.5285 11.5285 12.1882 12.1882 k = 0.3333 0.5774 0.2194 ( 3729 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9908 -13.9908 -13.9862 -13.9862 -2.6823 -2.6823 -2.6781 -2.6781 0.5767 0.5767 0.6048 0.6048 0.6134 0.6134 0.7671 0.7671 0.8877 0.8877 0.9619 0.9619 0.9715 0.9715 1.0332 1.0332 1.1657 1.1657 1.2914 1.2914 2.8210 2.8210 2.8832 2.8832 4.0421 4.0421 5.2067 5.2067 6.0672 6.0672 6.0955 6.0955 10.0698 10.0698 10.0713 10.0713 11.5773 11.5773 12.2282 12.2283 k = 0.3333 0.5774 0.2323 ( 3729 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9908 -13.9908 -13.9862 -13.9862 -2.6819 -2.6819 -2.6778 -2.6778 0.5766 0.5766 0.6045 0.6045 0.6135 0.6135 0.7665 0.7665 0.8873 0.8873 0.9614 0.9614 0.9712 0.9712 1.0332 1.0332 1.1655 1.1655 1.2916 1.2916 2.8126 2.8126 2.8745 2.8745 4.0655 4.0655 5.1722 5.1722 6.1007 6.1007 6.1300 6.1300 10.0230 10.0230 10.0232 10.0232 11.6176 11.6176 12.2499 12.2499 k = 0.3333 0.5774 0.2452 ( 3729 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9908 -13.9908 -13.9862 -13.9862 -2.6816 -2.6816 -2.6775 -2.6775 0.5764 0.5764 0.6042 0.6042 0.6136 0.6136 0.7660 0.7660 0.8869 0.8869 0.9609 0.9609 0.9709 0.9709 1.0332 1.0332 1.1654 1.1654 1.2917 1.2917 2.8055 2.8055 2.8672 2.8672 4.0864 4.0864 5.1420 5.1420 6.1294 6.1294 6.1595 6.1595 9.9823 9.9823 9.9834 9.9834 11.6494 11.6494 12.2679 12.2679 k = 0.3333 0.5774 0.2581 ( 3726 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9908 -13.9908 -13.9862 -13.9862 -2.6814 -2.6814 -2.6772 -2.6772 0.5764 0.5764 0.6040 0.6040 0.6137 0.6137 0.7656 0.7656 0.8866 0.8866 0.9606 0.9606 0.9707 0.9707 1.0332 1.0332 1.1652 1.1652 1.2918 1.2918 2.8000 2.8000 2.8614 2.8614 4.1038 4.1038 5.1172 5.1172 6.1525 6.1525 6.1833 6.1833 9.9495 9.9495 9.9516 9.9516 11.6732 11.6732 12.2822 12.2822 k = 0.3333 0.5774 0.2710 ( 3732 PWs) bands (ev): -33.0609 -33.0609 -14.3632 -14.3632 -13.9908 -13.9908 -13.9862 -13.9862 -2.6812 -2.6812 -2.6771 -2.6771 0.5763 0.5763 0.6039 0.6039 0.6138 0.6138 0.7653 0.7653 0.8864 0.8864 0.9603 0.9603 0.9705 0.9705 1.0332 1.0332 1.1651 1.1651 1.2919 1.2919 2.7960 2.7960 2.8572 2.8572 4.1170 4.1170 5.0987 5.0987 6.1695 6.1695 6.2009 6.2009 9.9256 9.9256 9.9284 9.9284 11.6897 11.6897 12.2925 12.2926 k = 0.3333 0.5774 0.2840 ( 3720 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9908 -13.9908 -13.9862 -13.9862 -2.6811 -2.6811 -2.6770 -2.6770 0.5763 0.5763 0.6038 0.6038 0.6139 0.6139 0.7652 0.7652 0.8863 0.8863 0.9602 0.9602 0.9705 0.9705 1.0332 1.0332 1.1651 1.1651 1.2920 1.2920 2.7935 2.7935 2.8547 2.8547 4.1252 4.1252 5.0872 5.0872 6.1799 6.1799 6.2116 6.2116 9.9110 9.9110 9.9142 9.9142 11.6993 11.6993 12.2987 12.2987 k = 0.3333 0.5774 0.2969 ( 3720 PWs) bands (ev): -33.0609 -33.0609 -14.3631 -14.3631 -13.9908 -13.9908 -13.9862 -13.9862 -2.6811 -2.6811 -2.6769 -2.6769 0.5763 0.5763 0.6038 0.6038 0.6139 0.6139 0.7651 0.7651 0.8863 0.8863 0.9601 0.9601 0.9704 0.9704 1.0333 1.0333 1.1651 1.1651 1.2920 1.2920 2.7927 2.7927 2.8538 2.8538 4.1280 4.1280 5.0833 5.0833 6.1834 6.1834 6.2152 6.2152 9.9061 9.9061 9.9095 9.9095 11.7024 11.7024 12.3008 12.3008 Writing output data file CaxZnAsx2.save init_run : 2.59s CPU 2.72s WALL ( 1 calls) electrons : 179.81s CPU 183.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 179.81s CPU 183.28s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s 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 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 320 calls) cegterg : 168.80s CPU 171.40s WALL ( 680 calls) Called by sum_band: Called by *egterg: h_psi : 80.16s CPU 81.85s WALL ( 11704 calls) s_psi : 5.65s CPU 5.58s WALL ( 11704 calls) g_psi : 0.27s CPU 0.27s WALL ( 10704 calls) cdiaghg : 72.33s CPU 73.33s WALL ( 11024 calls) cegterg:over : 6.42s CPU 6.62s WALL ( 10704 calls) cegterg:upda : 5.82s CPU 5.84s WALL ( 10704 calls) cegterg:last : 3.30s CPU 3.32s WALL ( 1631 calls) cdiaghg:chol : 4.15s CPU 4.03s WALL ( 11024 calls) cdiaghg:inve : 2.60s CPU 2.64s WALL ( 11024 calls) cdiaghg:para : 4.35s CPU 4.43s WALL ( 22048 calls) Called by h_psi: h_psi:vloc : 67.39s CPU 68.86s WALL ( 11704 calls) h_psi:vnl : 12.54s CPU 12.73s WALL ( 11704 calls) add_vuspsi : 6.42s CPU 6.38s WALL ( 11704 calls) General routines calbec : 6.08s CPU 6.31s WALL ( 11704 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 63.36s CPU 64.63s WALL ( 958984 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.55s WALL ( 640 calls) Parallel routines fft_scatter : 24.63s CPU 24.93s WALL ( 959007 calls) PWSCF : 3m17.32s CPU 3m33.32s WALL This run was terminated on: 19:41:17 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=