Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:32:57 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: ./Al3Pt2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 52 20 5 4524 1044 163 Max 53 21 6 4535 1067 176 Sum 1891 721 211 163059 37975 6121 bravais-lattice index = 14 lattice parameter (alat) = 7.9539 a.u. unit-cell volume = 1071.5818 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.953857 celldm(2)= 1.000000 celldm(3)= 2.459016 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 2.459016 ) 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 0.406667 ) PseudoPot. # 1 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 Al 3.00 26.98150 Al( 1.00) Pt 10.00 195.08400 Pt( 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= 295 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0033898 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0033898 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0033898 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0033898 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0033898 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0033898 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0033898 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0033898 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0033898 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0033898 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033898 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0033898 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0033898 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0033898 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0033898 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0033898 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0033898 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0033898 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0033898 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0033898 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0033898 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033898 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0033898 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0033898 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0033898 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0033898 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0033898 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0033898 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0033898 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0033898 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0033898 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0033898 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033898 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0033898 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0033898 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0033898 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0033898 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0033898 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0033898 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0033898 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0033898 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0033898 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0033898 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 47) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0033898 k( 48) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0033898 k( 49) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0033898 k( 50) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0033898 k( 51) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033898 k( 52) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0033898 k( 53) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0033898 k( 54) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0033898 k( 55) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0033898 k( 56) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033898 k( 57) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0033898 k( 58) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0033898 k( 59) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0033898 k( 60) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0033898 k( 61) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033898 k( 62) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0033898 k( 63) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0033898 k( 64) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0033898 k( 65) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0033898 k( 66) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033898 k( 67) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0033898 k( 68) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0033898 k( 69) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0033898 k( 70) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0033898 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 73) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0033898 k( 74) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0033898 k( 75) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0033898 k( 76) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0033898 k( 77) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0033898 k( 78) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0033898 k( 79) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0033898 k( 80) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0033898 k( 81) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0033898 k( 82) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0033898 k( 83) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0033898 k( 84) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0033898 k( 85) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0033898 k( 86) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0033898 k( 87) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0033898 k( 88) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0033898 k( 89) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0033898 k( 90) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0033898 k( 91) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0033898 k( 92) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0033898 k( 93) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0033898 k( 94) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0033898 k( 95) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0033898 k( 96) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0033898 k( 97) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033898 k( 98) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0033898 k( 99) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0033898 k( 100) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0033898 k( 101) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0033898 k( 102) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0033898 k( 103) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0033898 k( 104) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0033898 k( 105) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0033898 k( 106) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0033898 k( 107) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0033898 k( 108) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0033898 k( 109) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0033898 k( 110) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0033898 k( 111) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0033898 k( 112) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0033898 k( 113) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0033898 k( 114) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0033898 k( 115) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0033898 k( 116) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0033898 k( 117) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0033898 k( 118) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0033898 k( 119) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0033898 k( 120) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0033898 k( 121) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.0127083), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.0254167), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.0381250), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.0508333), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.0635417), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.0762500), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.0889583), wk = 0.0033898 k( 131) = ( 0.0000000 0.0000000 0.1016667), wk = 0.0033898 k( 132) = ( 0.0000000 0.0000000 0.1143750), wk = 0.0033898 k( 133) = ( 0.0000000 0.0000000 0.1270833), wk = 0.0033898 k( 134) = ( 0.0000000 0.0000000 0.1397917), wk = 0.0033898 k( 135) = ( 0.0000000 0.0000000 0.1525000), wk = 0.0033898 k( 136) = ( 0.0000000 0.0000000 0.1652083), wk = 0.0033898 k( 137) = ( 0.0000000 0.0000000 0.1779167), wk = 0.0033898 k( 138) = ( 0.0000000 0.0000000 0.1906250), wk = 0.0033898 k( 139) = ( 0.0000000 0.0000000 0.2033333), wk = 0.0033898 k( 140) = ( 0.0000000 0.0000000 0.2033333), wk = 0.0033898 k( 141) = ( 0.0113636 0.0065608 0.2033333), wk = 0.0033898 k( 142) = ( 0.0227273 0.0131216 0.2033333), wk = 0.0033898 k( 143) = ( 0.0340909 0.0196824 0.2033333), wk = 0.0033898 k( 144) = ( 0.0454546 0.0262432 0.2033333), wk = 0.0033898 k( 145) = ( 0.0568182 0.0328040 0.2033333), wk = 0.0033898 k( 146) = ( 0.0681818 0.0393648 0.2033333), wk = 0.0033898 k( 147) = ( 0.0795455 0.0459256 0.2033333), wk = 0.0033898 k( 148) = ( 0.0909091 0.0524864 0.2033333), wk = 0.0033898 k( 149) = ( 0.1022727 0.0590472 0.2033333), wk = 0.0033898 k( 150) = ( 0.1136364 0.0656080 0.2033333), wk = 0.0033898 k( 151) = ( 0.1250000 0.0721688 0.2033333), wk = 0.0033898 k( 152) = ( 0.1363636 0.0787296 0.2033333), wk = 0.0033898 k( 153) = ( 0.1477273 0.0852904 0.2033333), wk = 0.0033898 k( 154) = ( 0.1590909 0.0918512 0.2033333), wk = 0.0033898 k( 155) = ( 0.1704546 0.0984120 0.2033333), wk = 0.0033898 k( 156) = ( 0.1818182 0.1049728 0.2033333), wk = 0.0033898 k( 157) = ( 0.1931818 0.1115336 0.2033333), wk = 0.0033898 k( 158) = ( 0.2045454 0.1180944 0.2033333), wk = 0.0033898 k( 159) = ( 0.2159091 0.1246552 0.2033333), wk = 0.0033898 k( 160) = ( 0.2272727 0.1312160 0.2033333), wk = 0.0033898 k( 161) = ( 0.2386364 0.1377768 0.2033333), wk = 0.0033898 k( 162) = ( 0.2500000 0.1443376 0.2033333), wk = 0.0033898 k( 163) = ( 0.2613636 0.1508984 0.2033333), wk = 0.0033898 k( 164) = ( 0.2727273 0.1574592 0.2033333), wk = 0.0033898 k( 165) = ( 0.2840909 0.1640200 0.2033333), wk = 0.0033898 k( 166) = ( 0.2954545 0.1705808 0.2033333), wk = 0.0033898 k( 167) = ( 0.3068182 0.1771416 0.2033333), wk = 0.0033898 k( 168) = ( 0.3181818 0.1837024 0.2033333), wk = 0.0033898 k( 169) = ( 0.3295455 0.1902632 0.2033333), wk = 0.0033898 k( 170) = ( 0.3409091 0.1968240 0.2033333), wk = 0.0033898 k( 171) = ( 0.3522727 0.2033848 0.2033333), wk = 0.0033898 k( 172) = ( 0.3636364 0.2099456 0.2033333), wk = 0.0033898 k( 173) = ( 0.3750000 0.2165064 0.2033333), wk = 0.0033898 k( 174) = ( 0.3863636 0.2230672 0.2033333), wk = 0.0033898 k( 175) = ( 0.3977273 0.2296279 0.2033333), wk = 0.0033898 k( 176) = ( 0.4090909 0.2361887 0.2033333), wk = 0.0033898 k( 177) = ( 0.4204545 0.2427495 0.2033333), wk = 0.0033898 k( 178) = ( 0.4318182 0.2493103 0.2033333), wk = 0.0033898 k( 179) = ( 0.4431818 0.2558711 0.2033333), wk = 0.0033898 k( 180) = ( 0.4545455 0.2624319 0.2033333), wk = 0.0033898 k( 181) = ( 0.4659091 0.2689927 0.2033333), wk = 0.0033898 k( 182) = ( 0.4772727 0.2755535 0.2033333), wk = 0.0033898 k( 183) = ( 0.4886364 0.2821143 0.2033333), wk = 0.0033898 k( 184) = ( 0.5000000 0.2886751 0.2033333), wk = 0.0033898 k( 185) = ( 0.5000000 0.2886751 0.2033333), wk = 0.0033898 k( 186) = ( 0.4933333 0.3002221 0.2033333), wk = 0.0033898 k( 187) = ( 0.4866667 0.3117692 0.2033333), wk = 0.0033898 k( 188) = ( 0.4800000 0.3233162 0.2033333), wk = 0.0033898 k( 189) = ( 0.4733333 0.3348632 0.2033333), wk = 0.0033898 k( 190) = ( 0.4666667 0.3464102 0.2033333), wk = 0.0033898 k( 191) = ( 0.4600000 0.3579572 0.2033333), wk = 0.0033898 k( 192) = ( 0.4533333 0.3695042 0.2033333), wk = 0.0033898 k( 193) = ( 0.4466667 0.3810512 0.2033333), wk = 0.0033898 k( 194) = ( 0.4400000 0.3925982 0.2033333), wk = 0.0033898 k( 195) = ( 0.4333333 0.4041452 0.2033333), wk = 0.0033898 k( 196) = ( 0.4266667 0.4156922 0.2033333), wk = 0.0033898 k( 197) = ( 0.4200000 0.4272392 0.2033333), wk = 0.0033898 k( 198) = ( 0.4133333 0.4387862 0.2033333), wk = 0.0033898 k( 199) = ( 0.4066667 0.4503332 0.2033333), wk = 0.0033898 k( 200) = ( 0.4000000 0.4618802 0.2033333), wk = 0.0033898 k( 201) = ( 0.3933333 0.4734272 0.2033333), wk = 0.0033898 k( 202) = ( 0.3866667 0.4849742 0.2033333), wk = 0.0033898 k( 203) = ( 0.3800000 0.4965212 0.2033333), wk = 0.0033898 k( 204) = ( 0.3733333 0.5080682 0.2033333), wk = 0.0033898 k( 205) = ( 0.3666667 0.5196152 0.2033333), wk = 0.0033898 k( 206) = ( 0.3600000 0.5311622 0.2033333), wk = 0.0033898 k( 207) = ( 0.3533333 0.5427092 0.2033333), wk = 0.0033898 k( 208) = ( 0.3466667 0.5542563 0.2033333), wk = 0.0033898 k( 209) = ( 0.3400000 0.5658033 0.2033333), wk = 0.0033898 k( 210) = ( 0.3333333 0.5773503 0.2033333), wk = 0.0033898 k( 211) = ( 0.3333333 0.5773503 0.2033333), wk = 0.0033898 k( 212) = ( 0.3266667 0.5658033 0.2033333), wk = 0.0033898 k( 213) = ( 0.3200000 0.5542563 0.2033333), wk = 0.0033898 k( 214) = ( 0.3133333 0.5427092 0.2033333), wk = 0.0033898 k( 215) = ( 0.3066667 0.5311623 0.2033333), wk = 0.0033898 k( 216) = ( 0.3000000 0.5196152 0.2033333), wk = 0.0033898 k( 217) = ( 0.2933333 0.5080682 0.2033333), wk = 0.0033898 k( 218) = ( 0.2866667 0.4965212 0.2033333), wk = 0.0033898 k( 219) = ( 0.2800000 0.4849742 0.2033333), wk = 0.0033898 k( 220) = ( 0.2733333 0.4734272 0.2033333), wk = 0.0033898 k( 221) = ( 0.2666667 0.4618802 0.2033333), wk = 0.0033898 k( 222) = ( 0.2600000 0.4503332 0.2033333), wk = 0.0033898 k( 223) = ( 0.2533333 0.4387862 0.2033333), wk = 0.0033898 k( 224) = ( 0.2466667 0.4272392 0.2033333), wk = 0.0033898 k( 225) = ( 0.2400000 0.4156922 0.2033333), wk = 0.0033898 k( 226) = ( 0.2333333 0.4041452 0.2033333), wk = 0.0033898 k( 227) = ( 0.2266667 0.3925982 0.2033333), wk = 0.0033898 k( 228) = ( 0.2200000 0.3810512 0.2033333), wk = 0.0033898 k( 229) = ( 0.2133333 0.3695042 0.2033333), wk = 0.0033898 k( 230) = ( 0.2066667 0.3579572 0.2033333), wk = 0.0033898 k( 231) = ( 0.2000000 0.3464102 0.2033333), wk = 0.0033898 k( 232) = ( 0.1933333 0.3348632 0.2033333), wk = 0.0033898 k( 233) = ( 0.1866667 0.3233162 0.2033333), wk = 0.0033898 k( 234) = ( 0.1800000 0.3117691 0.2033333), wk = 0.0033898 k( 235) = ( 0.1733333 0.3002221 0.2033333), wk = 0.0033898 k( 236) = ( 0.1666667 0.2886751 0.2033333), wk = 0.0033898 k( 237) = ( 0.1600000 0.2771281 0.2033333), wk = 0.0033898 k( 238) = ( 0.1533333 0.2655811 0.2033333), wk = 0.0033898 k( 239) = ( 0.1466667 0.2540341 0.2033333), wk = 0.0033898 k( 240) = ( 0.1400000 0.2424871 0.2033333), wk = 0.0033898 k( 241) = ( 0.1333333 0.2309401 0.2033333), wk = 0.0033898 k( 242) = ( 0.1266667 0.2193931 0.2033333), wk = 0.0033898 k( 243) = ( 0.1200000 0.2078461 0.2033333), wk = 0.0033898 k( 244) = ( 0.1133333 0.1962991 0.2033333), wk = 0.0033898 k( 245) = ( 0.1066667 0.1847521 0.2033333), wk = 0.0033898 k( 246) = ( 0.1000000 0.1732051 0.2033333), wk = 0.0033898 k( 247) = ( 0.0933333 0.1616581 0.2033333), wk = 0.0033898 k( 248) = ( 0.0866667 0.1501111 0.2033333), wk = 0.0033898 k( 249) = ( 0.0800000 0.1385641 0.2033333), wk = 0.0033898 k( 250) = ( 0.0733333 0.1270171 0.2033333), wk = 0.0033898 k( 251) = ( 0.0666667 0.1154701 0.2033333), wk = 0.0033898 k( 252) = ( 0.0600000 0.1039230 0.2033333), wk = 0.0033898 k( 253) = ( 0.0533333 0.0923760 0.2033333), wk = 0.0033898 k( 254) = ( 0.0466667 0.0808290 0.2033333), wk = 0.0033898 k( 255) = ( 0.0400000 0.0692820 0.2033333), wk = 0.0033898 k( 256) = ( 0.0333333 0.0577350 0.2033333), wk = 0.0033898 k( 257) = ( 0.0266667 0.0461880 0.2033333), wk = 0.0033898 k( 258) = ( 0.0200000 0.0346410 0.2033333), wk = 0.0033898 k( 259) = ( 0.0133333 0.0230940 0.2033333), wk = 0.0033898 k( 260) = ( 0.0066667 0.0115470 0.2033333), wk = 0.0033898 k( 261) = ( 0.0000000 0.0000000 0.2033333), wk = 0.0033898 k( 262) = ( 0.5000000 0.2886751 0.2033333), wk = 0.0033898 k( 263) = ( 0.5000000 0.2886751 0.1906250), wk = 0.0033898 k( 264) = ( 0.5000000 0.2886751 0.1779167), wk = 0.0033898 k( 265) = ( 0.5000000 0.2886751 0.1652083), wk = 0.0033898 k( 266) = ( 0.5000000 0.2886751 0.1525000), wk = 0.0033898 k( 267) = ( 0.5000000 0.2886751 0.1397917), wk = 0.0033898 k( 268) = ( 0.5000000 0.2886751 0.1270833), wk = 0.0033898 k( 269) = ( 0.5000000 0.2886751 0.1143750), wk = 0.0033898 k( 270) = ( 0.5000000 0.2886751 0.1016667), wk = 0.0033898 k( 271) = ( 0.5000000 0.2886751 0.0889583), wk = 0.0033898 k( 272) = ( 0.5000000 0.2886751 0.0762500), wk = 0.0033898 k( 273) = ( 0.5000000 0.2886751 0.0635417), wk = 0.0033898 k( 274) = ( 0.5000000 0.2886751 0.0508333), wk = 0.0033898 k( 275) = ( 0.5000000 0.2886751 0.0381250), wk = 0.0033898 k( 276) = ( 0.5000000 0.2886751 0.0254167), wk = 0.0033898 k( 277) = ( 0.5000000 0.2886751 0.0127083), wk = 0.0033898 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033898 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033898 k( 280) = ( 0.3333333 0.5773503 0.0127083), wk = 0.0033898 k( 281) = ( 0.3333333 0.5773503 0.0254167), wk = 0.0033898 k( 282) = ( 0.3333333 0.5773503 0.0381250), wk = 0.0033898 k( 283) = ( 0.3333333 0.5773503 0.0508333), wk = 0.0033898 k( 284) = ( 0.3333333 0.5773503 0.0635417), wk = 0.0033898 k( 285) = ( 0.3333333 0.5773503 0.0762500), wk = 0.0033898 k( 286) = ( 0.3333333 0.5773503 0.0889583), wk = 0.0033898 k( 287) = ( 0.3333333 0.5773503 0.1016667), wk = 0.0033898 k( 288) = ( 0.3333333 0.5773503 0.1143750), wk = 0.0033898 k( 289) = ( 0.3333333 0.5773503 0.1270833), wk = 0.0033898 k( 290) = ( 0.3333333 0.5773503 0.1397917), wk = 0.0033898 k( 291) = ( 0.3333333 0.5773503 0.1525000), wk = 0.0033898 k( 292) = ( 0.3333333 0.5773503 0.1652083), wk = 0.0033898 k( 293) = ( 0.3333333 0.5773503 0.1779167), wk = 0.0033898 k( 294) = ( 0.3333333 0.5773503 0.1906250), wk = 0.0033898 k( 295) = ( 0.3333333 0.5773503 0.2033333), wk = 0.0033898 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0033898 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0033898 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0033898 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0033898 k( 6) = ( 0.0568182 -0.0000000 0.0000000), wk = 0.0033898 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0033898 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0033898 k( 9) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0033898 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0033898 k( 11) = ( 0.1136364 -0.0000000 0.0000000), wk = 0.0033898 k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0033898 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0033898 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0033898 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0033898 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0033898 k( 17) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0033898 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0033898 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0033898 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0033898 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0033898 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0033898 k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0033898 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0033898 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0033898 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0033898 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0033898 k( 28) = ( 0.3068182 -0.0000000 0.0000000), wk = 0.0033898 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0033898 k( 30) = ( 0.3295455 -0.0000000 0.0000000), wk = 0.0033898 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0033898 k( 32) = ( 0.3522727 -0.0000000 0.0000000), wk = 0.0033898 k( 33) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0033898 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0033898 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0033898 k( 36) = ( 0.3977273 -0.0000000 0.0000000), wk = 0.0033898 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0033898 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0033898 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0033898 k( 40) = ( 0.4431818 -0.0000000 0.0000000), wk = 0.0033898 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0033898 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0033898 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0033898 k( 44) = ( 0.4886364 0.0000000 -0.0000000), wk = 0.0033898 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033898 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033898 k( 47) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0033898 k( 48) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0033898 k( 49) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0033898 k( 50) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0033898 k( 51) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0033898 k( 52) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0033898 k( 53) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0033898 k( 54) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0033898 k( 55) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0033898 k( 56) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0033898 k( 57) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0033898 k( 58) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0033898 k( 59) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0033898 k( 60) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0033898 k( 61) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0033898 k( 62) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0033898 k( 63) = ( 0.3866667 0.2266667 -0.0000000), wk = 0.0033898 k( 64) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0033898 k( 65) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0033898 k( 66) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0033898 k( 67) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0033898 k( 68) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0033898 k( 69) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0033898 k( 70) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0033898 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033898 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033898 k( 73) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0033898 k( 74) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0033898 k( 75) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0033898 k( 76) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0033898 k( 77) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033898 k( 78) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0033898 k( 79) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0033898 k( 80) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0033898 k( 81) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0033898 k( 82) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0033898 k( 83) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0033898 k( 84) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0033898 k( 85) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0033898 k( 86) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0033898 k( 87) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0033898 k( 88) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0033898 k( 89) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0033898 k( 90) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0033898 k( 91) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0033898 k( 92) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033898 k( 93) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0033898 k( 94) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0033898 k( 95) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0033898 k( 96) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0033898 k( 97) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033898 k( 98) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0033898 k( 99) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0033898 k( 100) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0033898 k( 101) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0033898 k( 102) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0033898 k( 103) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0033898 k( 104) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0033898 k( 105) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0033898 k( 106) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0033898 k( 107) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033898 k( 108) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0033898 k( 109) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0033898 k( 110) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0033898 k( 111) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0033898 k( 112) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0033898 k( 113) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0033898 k( 114) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0033898 k( 115) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0033898 k( 116) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0033898 k( 117) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0033898 k( 118) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0033898 k( 119) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0033898 k( 120) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0033898 k( 121) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0033898 k( 131) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033898 k( 132) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0033898 k( 133) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0033898 k( 134) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0033898 k( 135) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033898 k( 136) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0033898 k( 137) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0033898 k( 138) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0033898 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 141) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0033898 k( 142) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0033898 k( 143) = ( 0.0340909 -0.0000000 0.5000000), wk = 0.0033898 k( 144) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0033898 k( 145) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0033898 k( 146) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0033898 k( 147) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0033898 k( 148) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0033898 k( 149) = ( 0.1022727 -0.0000000 0.5000000), wk = 0.0033898 k( 150) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0033898 k( 151) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0033898 k( 152) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0033898 k( 153) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0033898 k( 154) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0033898 k( 155) = ( 0.1704546 -0.0000000 0.5000000), wk = 0.0033898 k( 156) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0033898 k( 157) = ( 0.1931818 -0.0000000 0.5000000), wk = 0.0033898 k( 158) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0033898 k( 159) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0033898 k( 160) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0033898 k( 161) = ( 0.2386364 -0.0000000 0.5000000), wk = 0.0033898 k( 162) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0033898 k( 163) = ( 0.2613636 -0.0000000 0.5000000), wk = 0.0033898 k( 164) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0033898 k( 165) = ( 0.2840909 -0.0000000 0.5000000), wk = 0.0033898 k( 166) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0033898 k( 167) = ( 0.3068182 -0.0000000 0.5000000), wk = 0.0033898 k( 168) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0033898 k( 169) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0033898 k( 170) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0033898 k( 171) = ( 0.3522727 -0.0000000 0.5000000), wk = 0.0033898 k( 172) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0033898 k( 173) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0033898 k( 174) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0033898 k( 175) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0033898 k( 176) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0033898 k( 177) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0033898 k( 178) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0033898 k( 179) = ( 0.4431818 -0.0000000 0.5000000), wk = 0.0033898 k( 180) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0033898 k( 181) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0033898 k( 182) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0033898 k( 183) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0033898 k( 184) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033898 k( 185) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033898 k( 186) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0033898 k( 187) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0033898 k( 188) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0033898 k( 189) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0033898 k( 190) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033898 k( 191) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0033898 k( 192) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0033898 k( 193) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0033898 k( 194) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0033898 k( 195) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033898 k( 196) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0033898 k( 197) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0033898 k( 198) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0033898 k( 199) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0033898 k( 200) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033898 k( 201) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0033898 k( 202) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0033898 k( 203) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0033898 k( 204) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0033898 k( 205) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033898 k( 206) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0033898 k( 207) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0033898 k( 208) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0033898 k( 209) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0033898 k( 210) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 k( 211) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 k( 212) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0033898 k( 213) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0033898 k( 214) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0033898 k( 215) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0033898 k( 216) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033898 k( 217) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0033898 k( 218) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0033898 k( 219) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0033898 k( 220) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0033898 k( 221) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033898 k( 222) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0033898 k( 223) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0033898 k( 224) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0033898 k( 225) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0033898 k( 226) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033898 k( 227) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0033898 k( 228) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0033898 k( 229) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0033898 k( 230) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0033898 k( 231) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033898 k( 232) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0033898 k( 233) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0033898 k( 234) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0033898 k( 235) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0033898 k( 236) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033898 k( 237) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0033898 k( 238) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0033898 k( 239) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0033898 k( 240) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0033898 k( 241) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033898 k( 242) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0033898 k( 243) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0033898 k( 244) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0033898 k( 245) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0033898 k( 246) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033898 k( 247) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0033898 k( 248) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0033898 k( 249) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0033898 k( 250) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0033898 k( 251) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033898 k( 252) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0033898 k( 253) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0033898 k( 254) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0033898 k( 255) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0033898 k( 256) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033898 k( 257) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0033898 k( 258) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0033898 k( 259) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0033898 k( 260) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0033898 k( 261) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 262) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033898 k( 263) = ( 0.5000000 -0.0000000 0.4687500), wk = 0.0033898 k( 264) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0033898 k( 265) = ( 0.5000000 -0.0000000 0.4062500), wk = 0.0033898 k( 266) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0033898 k( 267) = ( 0.5000000 -0.0000000 0.3437500), wk = 0.0033898 k( 268) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0033898 k( 269) = ( 0.5000000 -0.0000000 0.2812500), wk = 0.0033898 k( 270) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0033898 k( 271) = ( 0.5000000 -0.0000000 0.2187500), wk = 0.0033898 k( 272) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0033898 k( 273) = ( 0.5000000 -0.0000000 0.1562500), wk = 0.0033898 k( 274) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0033898 k( 275) = ( 0.5000000 -0.0000000 0.0937500), wk = 0.0033898 k( 276) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0033898 k( 277) = ( 0.5000000 -0.0000000 0.0312500), wk = 0.0033898 k( 278) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033898 k( 279) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033898 k( 280) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0033898 k( 281) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0033898 k( 282) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0033898 k( 283) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033898 k( 284) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0033898 k( 285) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0033898 k( 286) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0033898 k( 287) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033898 k( 288) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0033898 k( 289) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0033898 k( 290) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0033898 k( 291) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033898 k( 292) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0033898 k( 293) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0033898 k( 294) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0033898 k( 295) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033898 Dense grid: 163059 G-vectors FFT dimensions: ( 54, 54, 135) Smooth grid: 37975 G-vectors FFT dimensions: ( 36, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 280, 70) NL pseudopotentials 0.73 Mb ( 140, 340) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.03 Mb ( 4533) G-vector shells 0.02 Mb ( 2172) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.20 Mb ( 280, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.73 Mb ( 340, 2, 70) The potential is recalculated from file : ./Al3Pt2.save/charge-density.dat Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.5 secs Computing kpt #: 5 total cpu time spent up to now is 9.1 secs Computing kpt #: 6 total cpu time spent up to now is 10.6 secs Computing kpt #: 7 total cpu time spent up to now is 12.1 secs Computing kpt #: 8 total cpu time spent up to now is 13.7 secs Computing kpt #: 9 total cpu time spent up to now is 15.3 secs Computing kpt #: 10 total cpu time spent up to now is 16.8 secs Computing kpt #: 11 total cpu time spent up to now is 18.3 secs Computing kpt #: 12 total cpu time spent up to now is 19.8 secs Computing kpt #: 13 total cpu time spent up to now is 21.2 secs Computing kpt #: 14 total cpu time spent up to now is 22.5 secs Computing kpt #: 15 total cpu time spent up to now is 23.9 secs Computing kpt #: 16 total cpu time spent up to now is 25.4 secs Computing kpt #: 17 total cpu time spent up to now is 26.9 secs Computing kpt #: 18 total cpu time spent up to now is 28.5 secs Computing kpt #: 19 total cpu time spent up to now is 30.1 secs Computing kpt #: 20 total cpu time spent up to now is 31.8 secs Computing kpt #: 21 total cpu time spent up to now is 33.3 secs Computing kpt #: 22 total cpu time spent up to now is 34.8 secs Computing kpt #: 23 total cpu time spent up to now is 36.0 secs Computing kpt #: 24 total cpu time spent up to now is 37.2 secs Computing kpt #: 25 total cpu time spent up to now is 38.5 secs Computing kpt #: 26 total cpu time spent up to now is 39.7 secs Computing kpt #: 27 total cpu time spent up to now is 40.9 secs Computing kpt #: 28 total cpu time spent up to now is 42.5 secs Computing kpt #: 29 total cpu time spent up to now is 43.7 secs Computing kpt #: 30 total cpu time spent up to now is 44.8 secs Computing kpt #: 31 total cpu time spent up to now is 45.9 secs Computing kpt #: 32 total cpu time spent up to now is 47.0 secs Computing kpt #: 33 total cpu time spent up to now is 48.2 secs Computing kpt #: 34 total cpu time spent up to now is 49.4 secs Computing kpt #: 35 total cpu time spent up to now is 50.5 secs Computing kpt #: 36 total cpu time spent up to now is 51.7 secs Computing kpt #: 37 total cpu time spent up to now is 52.9 secs Computing kpt #: 38 total cpu time spent up to now is 54.1 secs Computing kpt #: 39 total cpu time spent up to now is 55.2 secs Computing kpt #: 40 total cpu time spent up to now is 56.4 secs Computing kpt #: 41 total cpu time spent up to now is 57.6 secs Computing kpt #: 42 total cpu time spent up to now is 58.7 secs Computing kpt #: 43 total cpu time spent up to now is 59.9 secs Computing kpt #: 44 total cpu time spent up to now is 61.1 secs Computing kpt #: 45 total cpu time spent up to now is 62.2 secs Computing kpt #: 46 total cpu time spent up to now is 63.4 secs Computing kpt #: 47 total cpu time spent up to now is 64.5 secs Computing kpt #: 48 total cpu time spent up to now is 65.7 secs Computing kpt #: 49 total cpu time spent up to now is 66.8 secs Computing kpt #: 50 total cpu time spent up to now is 68.0 secs Computing kpt #: 51 total cpu time spent up to now is 69.2 secs Computing kpt #: 52 total cpu time spent up to now is 70.4 secs Computing kpt #: 53 total cpu time spent up to now is 71.6 secs Computing kpt #: 54 total cpu time spent up to now is 72.8 secs Computing kpt #: 55 total cpu time spent up to now is 74.1 secs Computing kpt #: 56 total cpu time spent up to now is 75.4 secs Computing kpt #: 57 total cpu time spent up to now is 76.7 secs Computing kpt #: 58 total cpu time spent up to now is 78.1 secs Computing kpt #: 59 total cpu time spent up to now is 79.5 secs Computing kpt #: 60 total cpu time spent up to now is 80.9 secs Computing kpt #: 61 total cpu time spent up to now is 82.1 secs Computing kpt #: 62 total cpu time spent up to now is 83.3 secs Computing kpt #: 63 total cpu time spent up to now is 84.5 secs Computing kpt #: 64 total cpu time spent up to now is 85.6 secs Computing kpt #: 65 total cpu time spent up to now is 86.7 secs Computing kpt #: 66 total cpu time spent up to now is 87.7 secs Computing kpt #: 67 total cpu time spent up to now is 88.7 secs Computing kpt #: 68 total cpu time spent up to now is 89.7 secs Computing kpt #: 69 total cpu time spent up to now is 90.7 secs Computing kpt #: 70 total cpu time spent up to now is 91.7 secs Computing kpt #: 71 total cpu time spent up to now is 92.7 secs Computing kpt #: 72 total cpu time spent up to now is 93.8 secs Computing kpt #: 73 total cpu time spent up to now is 94.8 secs Computing kpt #: 74 total cpu time spent up to now is 95.7 secs Computing kpt #: 75 total cpu time spent up to now is 96.8 secs Computing kpt #: 76 total cpu time spent up to now is 97.8 secs Computing kpt #: 77 total cpu time spent up to now is 98.8 secs Computing kpt #: 78 total cpu time spent up to now is 99.8 secs Computing kpt #: 79 total cpu 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118.6 secs Computing kpt #: 95 total cpu time spent up to now is 119.8 secs Computing kpt #: 96 total cpu time spent up to now is 121.1 secs Computing kpt #: 97 total cpu time spent up to now is 122.4 secs Computing kpt #: 98 total cpu time spent up to now is 124.0 secs Computing kpt #: 99 total cpu time spent up to now is 125.7 secs Computing kpt #: 100 total cpu time spent up to now is 127.3 secs Computing kpt #: 101 total cpu time spent up to now is 128.8 secs Computing kpt #: 102 total cpu time spent up to now is 130.2 secs Computing kpt #: 103 total cpu time spent up to now is 131.5 secs Computing kpt #: 104 total cpu time spent up to now is 132.8 secs Computing kpt #: 105 total cpu time spent up to now is 134.0 secs Computing kpt #: 106 total cpu time spent up to now is 135.3 secs Computing kpt #: 107 total cpu time spent up to now is 136.6 secs Computing kpt #: 108 total cpu time spent up to now is 137.9 secs Computing kpt #: 109 total cpu time spent up to now is 139.2 secs Computing kpt #: 110 total cpu time spent up to now is 140.5 secs Computing kpt #: 111 total cpu time spent up to now is 141.9 secs Computing kpt #: 112 total cpu time spent up to now is 143.3 secs Computing kpt #: 113 total cpu time spent up to now is 144.8 secs Computing kpt #: 114 total cpu time spent up to now is 146.3 secs Computing kpt #: 115 total cpu time spent up to now is 148.0 secs Computing kpt #: 116 total cpu time spent up to now is 149.6 secs Computing kpt #: 117 total cpu time spent up to now is 151.3 secs Computing kpt #: 118 total cpu time spent up to now is 152.8 secs Computing kpt #: 119 total cpu time spent up to now is 154.2 secs Computing kpt #: 120 total cpu time spent up to now is 155.5 secs Computing kpt #: 121 total cpu time spent up to now is 156.8 secs Computing kpt #: 122 total cpu time spent up to now is 157.9 secs Computing kpt #: 123 total cpu time spent up to now is 159.0 secs Computing kpt #: 124 total cpu time spent up to now is 160.2 secs Computing 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total cpu time spent up to now is 178.3 secs Computing kpt #: 141 total cpu time spent up to now is 179.6 secs Computing kpt #: 142 total cpu time spent up to now is 180.9 secs Computing kpt #: 143 total cpu time spent up to now is 182.3 secs Computing kpt #: 144 total cpu time spent up to now is 183.8 secs Computing kpt #: 145 total cpu time spent up to now is 185.2 secs Computing kpt #: 146 total cpu time spent up to now is 186.8 secs Computing kpt #: 147 total cpu time spent up to now is 188.2 secs Computing kpt #: 148 total cpu time spent up to now is 189.7 secs Computing kpt #: 149 total cpu time spent up to now is 191.2 secs Computing kpt #: 150 total cpu time spent up to now is 192.8 secs Computing kpt #: 151 total cpu time spent up to now is 194.2 secs Computing kpt #: 152 total cpu time spent up to now is 195.5 secs Computing kpt #: 153 total cpu time spent up to now is 196.7 secs Computing kpt #: 154 total cpu time spent up to now is 198.0 secs Computing kpt #: 155 total cpu time spent up to now is 199.3 secs Computing kpt #: 156 total cpu time spent up to now is 200.6 secs Computing kpt #: 157 total cpu time spent up to now is 202.0 secs Computing kpt #: 158 total cpu time spent up to now is 203.4 secs Computing kpt #: 159 total cpu time spent up to now is 204.8 secs Computing kpt #: 160 total cpu time spent up to now is 206.4 secs Computing kpt #: 161 total cpu time spent up to now is 207.9 secs Computing kpt #: 162 total cpu time spent up to now is 209.3 secs Computing kpt #: 163 total cpu time spent up to now is 210.7 secs Computing kpt #: 164 total cpu time spent up to now is 211.9 secs Computing kpt #: 165 total cpu time spent up to now is 213.2 secs Computing kpt #: 166 total cpu time spent up to now is 214.4 secs Computing kpt #: 167 total cpu time spent up to now is 215.6 secs Computing kpt #: 168 total cpu time spent up to now is 216.8 secs Computing kpt #: 169 total cpu time spent up to now is 218.0 secs Computing kpt #: 170 total cpu time spent up to now is 219.2 secs Computing kpt #: 171 total cpu time spent up to now is 220.4 secs Computing kpt #: 172 total cpu time spent up to now is 221.5 secs Computing kpt #: 173 total cpu time spent up to now is 222.8 secs Computing kpt #: 174 total cpu time spent up to now is 224.0 secs Computing kpt #: 175 total cpu time spent up to now is 225.1 secs Computing kpt #: 176 total cpu time spent up to now is 226.3 secs Computing kpt #: 177 total cpu time spent up to now is 227.5 secs Computing kpt #: 178 total cpu time spent up to now is 228.7 secs Computing kpt #: 179 total cpu time spent up to now is 229.9 secs Computing kpt #: 180 total cpu time spent up to now is 231.1 secs Computing kpt #: 181 total cpu time spent up to now is 232.3 secs Computing kpt #: 182 total cpu time spent up to now is 233.5 secs Computing kpt #: 183 total cpu time spent up to now is 234.7 secs Computing kpt #: 184 total cpu time spent up to now is 236.0 secs Computing kpt #: 185 total cpu time spent up to now is 237.2 secs Computing kpt #: 186 total cpu time spent up to now is 238.4 secs Computing kpt #: 187 total cpu time spent up to now is 239.6 secs Computing kpt #: 188 total cpu time spent up to now is 240.8 secs Computing kpt #: 189 total cpu time spent up to now is 242.1 secs Computing kpt #: 190 total cpu time spent up to now is 243.3 secs Computing kpt #: 191 total cpu time spent up to now is 244.6 secs Computing kpt #: 192 total cpu time spent up to now is 245.9 secs Computing kpt #: 193 total cpu time spent up to now is 247.2 secs Computing kpt #: 194 total cpu time spent up to now is 248.5 secs Computing kpt #: 195 total cpu time spent up to now is 249.7 secs Computing kpt #: 196 total cpu time spent up to now is 250.9 secs Computing kpt #: 197 total cpu time spent up to now is 252.1 secs Computing kpt #: 198 total cpu time spent up to now is 253.3 secs Computing kpt #: 199 total cpu time spent up to now is 254.5 secs Computing kpt #: 200 total cpu time spent up to now is 255.7 secs Computing kpt #: 201 total cpu time spent up to now is 256.8 secs Computing kpt #: 202 total cpu time spent up to now is 258.1 secs Computing kpt #: 203 total cpu time spent up to now is 259.3 secs Computing kpt #: 204 total cpu time spent up to now is 260.6 secs Computing kpt #: 205 total cpu time spent up to now is 261.8 secs Computing kpt #: 206 total cpu time spent up to now is 263.4 secs Computing kpt #: 207 total cpu time spent up to now is 265.0 secs Computing kpt #: 208 total cpu time spent up to now is 266.8 secs Computing kpt #: 209 total cpu time spent up to now is 268.3 secs Computing kpt #: 210 total cpu time spent up to now is 269.9 secs Computing kpt #: 211 total cpu time spent up to now is 271.4 secs Computing kpt #: 212 total cpu time spent up to now is 272.9 secs Computing kpt #: 213 total cpu time spent up to now is 274.2 secs Computing kpt #: 214 total cpu time spent up to now is 275.7 secs Computing kpt #: 215 total cpu time spent up to now is 277.5 secs Computing kpt #: 216 total cpu time spent up to now is 279.2 secs Computing kpt #: 217 total cpu time spent up to now is 280.7 secs Computing kpt #: 218 total cpu time spent up to now is 282.0 secs Computing kpt #: 219 total cpu time spent up to now is 283.5 secs Computing kpt #: 220 total cpu time spent up to now is 285.3 secs Computing kpt #: 221 total cpu time spent up to now is 287.2 secs Computing kpt #: 222 total cpu time spent up to now is 288.7 secs Computing kpt #: 223 total cpu time spent up to now is 290.2 secs Computing kpt #: 224 total cpu time spent up to now is 291.5 secs Computing kpt #: 225 total cpu time spent up to now is 292.7 secs Computing kpt #: 226 total cpu time spent up to now is 294.0 secs Computing kpt #: 227 total cpu time spent up to now is 295.2 secs Computing kpt #: 228 total cpu time spent up to now is 296.4 secs Computing kpt #: 229 total cpu time spent up to now is 297.6 secs Computing kpt #: 230 total cpu time spent up to now is 298.8 secs Computing kpt #: 231 total cpu time spent up to now is 300.1 secs Computing kpt #: 232 total cpu time spent up to now is 301.3 secs Computing kpt #: 233 total cpu time spent up to now is 302.5 secs Computing kpt #: 234 total cpu time spent up to now is 303.7 secs Computing kpt #: 235 total cpu time spent up to now is 304.8 secs Computing kpt #: 236 total cpu time spent up to now is 305.9 secs Computing kpt #: 237 total cpu time spent up to now is 307.0 secs Computing kpt #: 238 total cpu time spent up to now is 308.1 secs Computing kpt #: 239 total cpu time spent up to now is 309.3 secs Computing kpt #: 240 total cpu time spent up to now is 310.4 secs Computing kpt #: 241 total cpu time spent up to now is 311.6 secs Computing kpt #: 242 total cpu time spent up to now is 312.6 secs Computing kpt #: 243 total cpu time spent up to now is 313.8 secs Computing kpt #: 244 total cpu time spent up to now is 315.1 secs Computing kpt #: 245 total cpu time spent up to now is 316.5 secs Computing kpt #: 246 total cpu time spent up to now is 318.0 secs Computing kpt #: 247 total cpu time spent up to now is 319.4 secs Computing kpt #: 248 total cpu time spent up to now is 320.8 secs Computing kpt #: 249 total cpu time spent up to now is 322.4 secs Computing kpt #: 250 total cpu time spent up to now is 324.0 secs Computing kpt #: 251 total cpu time spent up to now is 325.7 secs Computing kpt #: 252 total cpu time spent up to now is 327.5 secs Computing kpt #: 253 total cpu time spent up to now is 329.2 secs Computing kpt #: 254 total cpu time spent up to now is 330.8 secs Computing kpt #: 255 total cpu time spent up to now is 332.3 secs Computing kpt #: 256 total cpu time spent up to now is 333.9 secs Computing kpt #: 257 total cpu time spent up to now is 335.4 secs Computing kpt #: 258 total cpu time spent up to now is 336.7 secs Computing kpt #: 259 total cpu time spent up to now is 338.0 secs Computing kpt #: 260 total cpu time spent up to now is 339.3 secs Computing kpt #: 261 total cpu time spent up to now is 340.3 secs Computing kpt #: 262 total cpu time spent up to now is 341.7 secs Computing kpt #: 263 total cpu time spent up to now is 343.2 secs Computing kpt #: 264 total cpu time spent up to now is 344.4 secs Computing kpt #: 265 total cpu time spent up to now is 345.7 secs Computing kpt #: 266 total cpu time spent up to now is 346.9 secs Computing kpt #: 267 total cpu time spent up to now is 348.1 secs Computing kpt #: 268 total cpu time spent up to now is 349.3 secs Computing kpt #: 269 total cpu time spent up to now is 350.5 secs Computing kpt #: 270 total cpu time spent up to now is 351.8 secs Computing kpt #: 271 total cpu time spent up to now is 353.0 secs Computing kpt #: 272 total cpu time spent up to now is 354.2 secs Computing kpt #: 273 total cpu time spent up to now is 355.3 secs Computing kpt #: 274 total cpu time spent up to now is 356.5 secs Computing kpt #: 275 total cpu time spent up to now is 357.7 secs Computing kpt #: 276 total cpu time spent up to now is 358.9 secs Computing kpt #: 277 total cpu time spent up to now is 360.0 secs Computing kpt #: 278 total cpu time spent up to now is 361.2 secs Computing kpt #: 279 total cpu time spent up to now is 362.2 secs Computing kpt #: 280 total cpu time spent up to now is 363.2 secs Computing kpt #: 281 total cpu time spent up to now is 364.1 secs Computing kpt #: 282 total cpu time spent up to now is 365.1 secs Computing kpt #: 283 total cpu time spent up to now is 368.2 secs Computing kpt #: 284 total cpu time spent up to now is 369.2 secs Computing kpt #: 285 total cpu time spent up to now is 370.4 secs Computing kpt #: 286 total cpu time spent up to now is 371.5 secs Computing kpt #: 287 total cpu time spent up to now is 372.8 secs Computing kpt #: 288 total cpu time spent up to now is 374.1 secs Computing kpt #: 289 total cpu time spent up to now is 375.4 secs Computing kpt #: 290 total cpu time spent up to now is 376.6 secs Computing kpt #: 291 total cpu time spent up to now is 377.8 secs Computing kpt #: 292 total cpu time spent up to now is 379.2 secs Computing kpt #: 293 total cpu time spent up to now is 380.8 secs Computing kpt #: 294 total cpu time spent up to now is 382.3 secs Computing kpt #: 295 total cpu time spent up to now is 383.8 secs ethr = 1.72E-08, avg # of iterations = 29.5 total cpu time spent up to now is 383.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4785 PWs) bands (ev): -0.2297 -0.2297 1.8748 1.8748 2.5443 2.5443 4.7650 4.7650 4.9864 4.9864 5.3245 5.3245 5.4402 5.4402 5.6708 5.6708 5.9613 5.9613 6.6014 6.6014 6.6311 6.6311 7.0348 7.0348 7.1146 7.1146 7.2460 7.2460 7.5270 7.5270 7.6986 7.6986 8.0121 8.0121 8.4645 8.4645 8.4808 8.4808 8.8358 8.8358 9.2069 9.2069 9.2493 9.2493 9.3746 9.3746 9.5041 9.5041 9.8041 9.8041 12.3442 12.3442 12.7559 12.7559 12.9823 12.9823 13.0592 13.0592 13.2696 13.2696 13.3398 13.3398 13.3508 13.3508 13.6336 13.6336 13.8477 13.8477 14.2629 14.2629 k = 0.0114 0.0066-0.0000 ( 4789 PWs) bands (ev): -0.2280 -0.2280 1.8761 1.8761 2.5458 2.5458 4.7647 4.7647 4.9865 4.9865 5.3239 5.3239 5.4407 5.4407 5.6711 5.6711 5.9618 5.9618 6.6017 6.6017 6.6313 6.6313 7.0351 7.0351 7.1146 7.1146 7.2466 7.2466 7.5259 7.5259 7.6974 7.6974 8.0113 8.0113 8.4502 8.4502 8.4944 8.4944 8.8360 8.8360 9.2065 9.2065 9.2475 9.2475 9.3741 9.3741 9.5034 9.5034 9.8066 9.8066 12.3364 12.3364 12.7476 12.7476 12.9627 12.9627 13.0408 13.0408 13.2862 13.2862 13.3235 13.3235 13.3454 13.3454 13.6522 13.6522 13.8590 13.8590 14.2774 14.2774 k = 0.0227 0.0131-0.0000 ( 4778 PWs) bands (ev): -0.2231 -0.2231 1.8798 1.8798 2.5502 2.5502 4.7637 4.7637 4.9869 4.9869 5.3222 5.3222 5.4422 5.4422 5.6718 5.6718 5.9634 5.9634 6.6024 6.6024 6.6320 6.6320 7.0362 7.0362 7.1148 7.1148 7.2484 7.2484 7.5225 7.5225 7.6936 7.6936 8.0089 8.0089 8.4299 8.4299 8.5126 8.5126 8.8365 8.8365 9.2054 9.2054 9.2422 9.2422 9.3725 9.3725 9.5015 9.5015 9.8139 9.8139 12.3115 12.3115 12.7232 12.7232 12.9062 12.9062 13.0092 13.0092 13.2441 13.2441 13.3106 13.3106 13.3788 13.3788 13.6996 13.6996 13.8828 13.8828 14.3195 14.3195 k = 0.0341 0.0197-0.0000 ( 4764 PWs) bands (ev): -0.2148 -0.2148 1.8859 1.8859 2.5576 2.5576 4.7620 4.7620 4.9876 4.9876 5.3196 5.3196 5.4447 5.4447 5.6731 5.6731 5.9660 5.9660 6.6036 6.6036 6.6332 6.6332 7.0380 7.0380 7.1150 7.1150 7.2515 7.2515 7.5168 7.5168 7.6875 7.6875 8.0050 8.0050 8.4095 8.4095 8.5294 8.5294 8.8372 8.8372 9.2032 9.2032 9.2337 9.2337 9.3700 9.3700 9.4992 9.4992 9.8254 9.8254 12.2659 12.2659 12.6828 12.6828 12.8313 12.8313 12.9796 12.9796 13.1455 13.1455 13.3150 13.3150 13.4370 13.4370 13.7598 13.7598 13.9051 13.9051 14.3842 14.3842 k = 0.0455 0.0262-0.0000 ( 4746 PWs) bands (ev): -0.2031 -0.2031 1.8946 1.8946 2.5680 2.5680 4.7591 4.7591 4.9887 4.9887 5.3164 5.3164 5.4481 5.4481 5.6750 5.6750 5.9694 5.9694 6.6048 6.6048 6.6351 6.6351 7.0404 7.0404 7.1153 7.1153 7.2559 7.2559 7.5087 7.5087 7.6796 7.6796 7.9995 7.9995 8.3898 8.3898 8.5442 8.5442 8.8375 8.8375 9.1990 9.1990 9.2228 9.2228 9.3667 9.3667 9.4972 9.4972 9.8407 9.8407 12.1959 12.1959 12.6230 12.6230 12.7609 12.7609 12.9461 12.9461 13.0423 13.0423 13.3187 13.3187 13.4989 13.4989 13.8145 13.8145 13.9250 13.9250 14.4619 14.4619 k = 0.0568 0.0328-0.0000 ( 4746 PWs) bands (ev): -0.1882 -0.1882 1.9056 1.9056 2.5813 2.5813 4.7548 4.7548 4.9905 4.9905 5.3130 5.3130 5.4523 5.4523 5.6773 5.6773 5.9734 5.9734 6.6060 6.6060 6.6379 6.6379 7.0435 7.0435 7.1155 7.1155 7.2615 7.2615 7.4982 7.4982 7.6702 7.6702 7.9926 7.9926 8.3712 8.3712 8.5565 8.5565 8.8368 8.8368 9.1905 9.1905 9.2126 9.2126 9.3626 9.3626 9.4961 9.4961 9.8590 9.8590 12.1009 12.1009 12.5398 12.5398 12.7064 12.7064 12.8801 12.8801 12.9743 12.9743 13.3241 13.3241 13.5559 13.5559 13.8407 13.8407 13.9573 13.9573 14.5359 14.5359 k = 0.0682 0.0394-0.0000 ( 4740 PWs) bands (ev): -0.1700 -0.1700 1.9191 1.9191 2.5975 2.5975 4.7487 4.7487 4.9931 4.9931 5.3097 5.3097 5.4572 5.4572 5.6803 5.6803 5.9777 5.9777 6.6067 6.6067 6.6416 6.6416 7.0470 7.0470 7.1157 7.1157 7.2684 7.2684 7.4852 7.4852 7.6599 7.6599 7.9845 7.9845 8.3539 8.3539 8.5661 8.5661 8.8342 8.8342 9.1759 9.1759 9.2059 9.2059 9.3577 9.3577 9.4964 9.4964 9.8797 9.8797 11.9840 11.9840 12.4405 12.4405 12.6505 12.6505 12.7933 12.7933 12.9467 12.9467 13.3314 13.3314 13.5999 13.5999 13.8378 13.8378 14.0036 14.0036 14.5887 14.5887 k = 0.0795 0.0459-0.0000 ( 4734 PWs) bands (ev): -0.1484 -0.1484 1.9351 1.9351 2.6165 2.6165 4.7403 4.7403 4.9966 4.9966 5.3068 5.3068 5.4630 5.4630 5.6839 5.6839 5.9820 5.9820 6.6068 6.6068 6.6464 6.6464 7.0509 7.0509 7.1159 7.1159 7.2767 7.2767 7.4700 7.4700 7.6492 7.6492 7.9754 7.9754 8.3378 8.3378 8.5727 8.5727 8.8284 8.8284 9.1581 9.1581 9.2012 9.2012 9.3520 9.3520 9.4981 9.4981 9.9023 9.9023 11.8499 11.8499 12.3331 12.3331 12.5619 12.5619 12.7398 12.7398 12.9300 12.9300 13.3401 13.3401 13.6156 13.6156 13.8333 13.8333 14.0493 14.0493 14.6321 14.6321 k = 0.0909 0.0525-0.0000 ( 4730 PWs) bands (ev): -0.1236 -0.1236 1.9534 1.9534 2.6385 2.6385 4.7294 4.7294 5.0013 5.0013 5.3046 5.3046 5.4697 5.4697 5.6882 5.6882 5.9861 5.9861 6.6061 6.6061 6.6521 6.6521 7.0549 7.0549 7.1160 7.1160 7.2862 7.2862 7.4528 7.4528 7.6385 7.6385 7.9658 7.9658 8.3227 8.3227 8.5762 8.5762 8.8183 8.8183 9.1402 9.1402 9.1970 9.1970 9.3454 9.3454 9.5013 9.5013 9.9264 9.9264 11.7032 11.7032 12.2218 12.2218 12.4463 12.4463 12.7161 12.7161 12.9172 12.9172 13.3491 13.3491 13.5881 13.5881 13.8497 13.8497 14.0878 14.0878 14.6768 14.6768 k = 0.1023 0.0590-0.0000 ( 4722 PWs) bands (ev): -0.0956 -0.0956 1.9741 1.9741 2.6633 2.6633 4.7156 4.7156 5.0073 5.0073 5.3033 5.3033 5.4773 5.4773 5.6933 5.6933 5.9897 5.9897 6.6046 6.6046 6.6586 6.6586 7.0589 7.0589 7.1161 7.1161 7.2971 7.2971 7.4341 7.4341 7.6282 7.6282 7.9558 7.9558 8.3083 8.3083 8.5765 8.5765 8.8025 8.8025 9.1246 9.1246 9.1930 9.1930 9.3379 9.3379 9.5058 9.5058 9.9517 9.9517 11.5478 11.5478 12.1082 12.1082 12.3217 12.3217 12.7025 12.7025 12.9071 12.9071 13.3559 13.3559 13.5268 13.5268 13.8844 13.8844 14.1175 14.1175 14.7223 14.7223 k = 0.1136 0.0656-0.0000 ( 4720 PWs) bands (ev): -0.0643 -0.0643 1.9973 1.9973 2.6909 2.6909 4.6989 4.6989 5.0143 5.0143 5.3028 5.3028 5.4860 5.4860 5.6991 5.6991 5.9925 5.9925 6.6022 6.6022 6.6655 6.6655 7.0625 7.0625 7.1165 7.1165 7.3091 7.3091 7.4149 7.4149 7.6184 7.6184 7.9459 7.9459 8.2943 8.2943 8.5734 8.5734 8.7808 8.7808 9.1126 9.1126 9.1889 9.1889 9.3295 9.3295 9.5113 9.5113 9.9776 9.9776 11.3867 11.3867 11.9933 11.9933 12.1946 12.1946 12.6904 12.6904 12.8992 12.8992 13.3490 13.3490 13.4573 13.4573 13.9254 13.9254 14.1388 14.1388 14.7655 14.7655 k = 0.1250 0.0722-0.0000 ( 4724 PWs) bands (ev): -0.0297 -0.0297 2.0227 2.0227 2.7212 2.7212 4.6793 4.6793 5.0223 5.0223 5.3033 5.3033 5.4959 5.4959 5.7059 5.7059 5.9943 5.9943 6.5985 6.5985 6.6727 6.6727 7.0650 7.0650 7.1176 7.1176 7.3219 7.3219 7.3961 7.3961 7.6095 7.6095 7.9361 7.9361 8.2801 8.2801 8.5663 8.5663 8.7537 8.7537 9.1046 9.1046 9.1847 9.1847 9.3203 9.3203 9.5177 9.5177 10.0038 10.0038 11.2222 11.2222 11.8778 11.8778 12.0673 12.0673 12.6759 12.6759 12.8927 12.8927 13.2937 13.2937 13.4237 13.4237 13.9658 13.9658 14.1532 14.1532 14.8033 14.8033 k = 0.1364 0.0787-0.0000 ( 4730 PWs) bands (ev): 0.0080 0.0080 2.0505 2.0505 2.7542 2.7542 4.6567 4.6567 5.0307 5.0307 5.3049 5.3049 5.5072 5.5072 5.7136 5.7136 5.9949 5.9949 6.5935 6.5935 6.6798 6.6798 7.0658 7.0658 7.1202 7.1202 7.3345 7.3345 7.3799 7.3799 7.6013 7.6013 7.9266 7.9266 8.2654 8.2654 8.5545 8.5545 8.7232 8.7232 9.1001 9.1001 9.1806 9.1806 9.3103 9.3103 9.5247 9.5247 10.0299 10.0299 11.0563 11.0563 11.7620 11.7620 11.9407 11.9407 12.6559 12.6559 12.8857 12.8857 13.2000 13.2000 13.4229 13.4229 14.0000 14.0000 14.1638 14.1638 14.8340 14.8340 k = 0.1477 0.0853-0.0000 ( 4716 PWs) bands (ev): 0.0490 0.0490 2.0806 2.0806 2.7898 2.7898 4.6315 4.6315 5.0392 5.0392 5.3076 5.3076 5.5200 5.5200 5.7223 5.7223 5.9941 5.9941 6.5867 6.5867 6.6868 6.6868 7.0647 7.0647 7.1246 7.1246 7.3414 7.3414 7.3721 7.3721 7.5940 7.5940 7.9173 7.9173 8.2497 8.2497 8.5367 8.5367 8.6919 8.6919 9.0980 9.0980 9.1765 9.1765 9.2996 9.2996 9.5322 9.5322 10.0553 10.0553 10.8908 10.8908 11.6464 11.6464 11.8153 11.8153 12.6267 12.6267 12.8750 12.8750 13.1024 13.1024 13.4286 13.4286 14.0218 14.0218 14.1765 14.1765 14.8575 14.8575 k = 0.1591 0.0919-0.0000 ( 4728 PWs) bands (ev): 0.0931 0.0931 2.1129 2.1129 2.8280 2.8280 4.6038 4.6038 5.0469 5.0469 5.3117 5.3117 5.5344 5.5344 5.7319 5.7319 5.9918 5.9918 6.5780 6.5780 6.6935 6.6935 7.0618 7.0618 7.1312 7.1312 7.3356 7.3356 7.3803 7.3803 7.5877 7.5877 7.9081 7.9081 8.2324 8.2324 8.5120 8.5120 8.6629 8.6629 9.0974 9.0974 9.1725 9.1725 9.2882 9.2882 9.5402 9.5402 10.0793 10.0793 10.7274 10.7274 11.5312 11.5312 11.6916 11.6916 12.5824 12.5824 12.8540 12.8540 13.0207 13.0207 13.4342 13.4342 14.0250 14.0250 14.1972 14.1972 14.8755 14.8755 k = 0.1705 0.0984-0.0000 ( 4728 PWs) bands (ev): 0.1403 0.1403 2.1475 2.1475 2.8687 2.8687 4.5738 4.5738 5.0531 5.0531 5.3175 5.3175 5.5506 5.5506 5.7426 5.7426 5.9879 5.9879 6.5668 6.5668 6.6997 6.6997 7.0578 7.0578 7.1397 7.1397 7.3257 7.3257 7.3959 7.3959 7.5822 7.5822 7.8987 7.8987 8.2129 8.2129 8.4804 8.4804 8.6379 8.6379 9.0970 9.0970 9.1686 9.1686 9.2761 9.2761 9.5485 9.5485 10.1005 10.1005 10.5685 10.5685 11.4167 11.4167 11.5699 11.5699 12.5154 12.5154 12.8183 12.8183 12.9696 12.9696 13.4377 13.4377 14.0097 14.0097 14.2262 14.2262 14.8900 14.8900 k = 0.1818 0.1050-0.0000 ( 4732 PWs) bands (ev): 0.1906 0.1906 2.1842 2.1842 2.9117 2.9117 4.5418 4.5418 5.0567 5.0567 5.3255 5.3255 5.5685 5.5685 5.7542 5.7542 5.9825 5.9825 6.5532 6.5532 6.7055 6.7055 7.0535 7.0535 7.1501 7.1501 7.3169 7.3169 7.4134 7.4134 7.5777 7.5777 7.8891 7.8891 8.1903 8.1903 8.4441 8.4441 8.6170 8.6170 9.0961 9.0961 9.1648 9.1648 9.2633 9.2633 9.5569 9.5569 10.1151 10.1151 10.4187 10.4187 11.3030 11.3030 11.4506 11.4506 12.4222 12.4222 12.7784 12.7784 12.9433 12.9433 13.4379 13.4379 13.9802 13.9802 14.2597 14.2597 14.9031 14.9031 k = 0.1932 0.1115-0.0000 ( 4730 PWs) bands (ev): 0.2440 0.2440 2.2231 2.2231 2.9571 2.9571 4.5079 4.5079 5.0571 5.0571 5.3360 5.3360 5.5882 5.5882 5.7668 5.7668 5.9755 5.9755 6.5369 6.5369 6.7109 6.7109 7.0496 7.0496 7.1620 7.1620 7.3100 7.3100 7.4312 7.4312 7.5743 7.5743 7.8787 7.8787 8.1637 8.1637 8.4065 8.4065 8.5990 8.5990 9.0939 9.0939 9.1608 9.1608 9.2499 9.2499 9.5652 9.5652 10.1083 10.1083 10.2939 10.2939 11.1902 11.1902 11.3342 11.3342 12.3080 12.3080 12.7454 12.7454 12.9271 12.9271 13.4341 13.4341 13.9407 13.9407 14.2943 14.2943 14.9153 14.9153 k = 0.2045 0.1181-0.0000 ( 4724 PWs) bands (ev): 0.3004 0.3004 2.2640 2.2640 3.0046 3.0046 4.4723 4.4723 5.0533 5.0533 5.3493 5.3493 5.6095 5.6095 5.7802 5.7802 5.9673 5.9673 6.5181 6.5181 6.7160 6.7160 7.0468 7.0468 7.1753 7.1753 7.3049 7.3049 7.4481 7.4481 7.5721 7.5721 7.8675 7.8675 8.1324 8.1324 8.3706 8.3706 8.5828 8.5828 9.0897 9.0897 9.1562 9.1562 9.2359 9.2359 9.5732 9.5732 10.0392 10.0392 10.2360 10.2360 11.0783 11.0783 11.2212 11.2212 12.1810 12.1810 12.7200 12.7200 12.9130 12.9130 13.4258 13.4258 13.8945 13.8945 14.3277 14.3277 14.9223 14.9223 k = 0.2159 0.1247-0.0000 ( 4734 PWs) bands (ev): 0.3599 0.3599 2.3070 2.3070 3.0542 3.0542 4.4351 4.4351 5.0451 5.0451 5.3654 5.3654 5.6321 5.6321 5.7945 5.7945 5.9580 5.9580 6.4973 6.4973 6.7208 6.7208 7.0453 7.0453 7.1898 7.1898 7.3016 7.3016 7.4627 7.4627 7.5716 7.5716 7.8551 7.8551 8.0966 8.0966 8.3388 8.3388 8.5676 8.5676 9.0829 9.0829 9.1503 9.1503 9.2215 9.2215 9.5802 9.5802 9.9228 9.9228 10.2317 10.2317 10.9674 10.9674 11.1124 11.1124 12.0477 12.0477 12.7000 12.7000 12.8977 12.8977 13.4125 13.4125 13.8440 13.8440 14.3584 14.3584 14.9025 14.9025 k = 0.2273 0.1312-0.0000 ( 4730 PWs) bands (ev): 0.4222 0.4222 2.3519 2.3519 3.1057 3.1057 4.3964 4.3964 5.0321 5.0321 5.3841 5.3841 5.6559 5.6559 5.8094 5.8094 5.9482 5.9482 6.4747 6.4747 6.7255 6.7255 7.0453 7.0453 7.2052 7.2052 7.2996 7.2996 7.4731 7.4731 7.5734 7.5734 7.8413 7.8413 8.0575 8.0575 8.3118 8.3118 8.5529 8.5529 9.0723 9.0723 9.1424 9.1424 9.2070 9.2070 9.5849 9.5849 9.8025 9.8025 10.2401 10.2401 10.8574 10.8574 11.0084 11.0084 11.9122 11.9122 12.6834 12.6834 12.8798 12.8798 13.3935 13.3935 13.7916 13.7916 14.3845 14.3845 14.8366 14.8366 k = 0.2386 0.1378-0.0000 ( 4734 PWs) bands (ev): 0.4875 0.4875 2.3987 2.3987 3.1589 3.1589 4.3562 4.3562 5.0145 5.0145 5.4051 5.4051 5.6805 5.6805 5.8250 5.8250 5.9385 5.9385 6.4511 6.4511 6.7300 6.7300 7.0466 7.0466 7.2208 7.2208 7.2988 7.2988 7.4771 7.4771 7.5782 7.5782 7.8262 7.8262 8.0177 8.0177 8.2895 8.2895 8.5384 8.5384 9.0558 9.0558 9.1321 9.1321 9.1927 9.1927 9.5826 9.5826 9.6964 9.6964 10.2496 10.2496 10.7487 10.7487 10.9101 10.9101 11.7774 11.7774 12.6693 12.6693 12.8589 12.8589 13.3683 13.3683 13.7394 13.7394 14.4038 14.4038 14.7526 14.7526 k = 0.2500 0.1443-0.0000 ( 4738 PWs) bands (ev): 0.5556 0.5556 2.4473 2.4473 3.2136 3.2136 4.3144 4.3144 4.9924 4.9924 5.4277 5.4277 5.7053 5.7053 5.8408 5.8408 5.9300 5.9300 6.4270 6.4270 6.7341 6.7341 7.0493 7.0493 7.2356 7.2356 7.2993 7.2993 7.4733 7.4733 7.5858 7.5858 7.8097 7.8097 7.9804 7.9804 8.2711 8.2711 8.5237 8.5237 9.0300 9.0300 9.1201 9.1201 9.1787 9.1787 9.5497 9.5497 9.6334 9.6334 10.2562 10.2562 10.6419 10.6419 10.8184 10.8184 11.6455 11.6455 12.6569 12.6569 12.8347 12.8347 13.3362 13.3362 13.6894 13.6894 14.4114 14.4114 14.6703 14.6703 k = 0.2614 0.1509-0.0000 ( 4742 PWs) bands (ev): 0.6266 0.6266 2.4976 2.4976 3.2696 3.2696 4.2711 4.2711 4.9660 4.9660 5.4513 5.4513 5.7295 5.7295 5.8561 5.8561 5.9245 5.9245 6.4030 6.4030 6.7378 6.7378 7.0530 7.0530 7.2477 7.2477 7.3016 7.3016 7.4617 7.4617 7.5945 7.5945 7.7922 7.7922 7.9489 7.9489 8.2555 8.2555 8.5085 8.5085 8.9918 8.9918 9.1076 9.1076 9.1649 9.1649 9.4835 9.4835 9.6196 9.6196 10.2566 10.2566 10.5383 10.5383 10.7345 10.7345 11.5179 11.5179 12.6458 12.6458 12.8074 12.8074 13.2970 13.2970 13.6430 13.6430 14.3969 14.3969 14.6042 14.6042 k = 0.2727 0.1575-0.0000 ( 4748 PWs) bands (ev): 0.7002 0.7002 2.5494 2.5494 3.3265 3.3265 4.2260 4.2260 4.9359 4.9359 5.4752 5.4752 5.7522 5.7522 5.8692 5.8692 5.9249 5.9249 6.3796 6.3796 6.7408 6.7408 7.0575 7.0575 7.2543 7.2543 7.3064 7.3064 7.4440 7.4440 7.6024 7.6024 7.7743 7.7743 7.9259 7.9259 8.2419 8.2419 8.4924 8.4924 8.9406 8.9406 9.0952 9.0952 9.1510 9.1510 9.4245 9.4245 9.6153 9.6153 10.2456 10.2456 10.4415 10.4415 10.6603 10.6603 11.3964 11.3964 12.6355 12.6355 12.7772 12.7772 13.2510 13.2510 13.6011 13.6011 14.3491 14.3491 14.5673 14.5673 k = 0.2841 0.1640-0.0000 ( 4758 PWs) bands (ev): 0.7766 0.7766 2.6028 2.6028 3.3842 3.3842 4.1792 4.1792 4.9026 4.9026 5.4986 5.4986 5.7723 5.7723 5.8786 5.8786 5.9341 5.9341 6.3573 6.3573 6.7427 6.7427 7.0626 7.0626 7.2526 7.2526 7.3123 7.3123 7.4241 7.4241 7.6079 7.6079 7.7573 7.7573 7.9124 7.9124 8.2294 8.2294 8.4745 8.4745 8.8802 8.8802 9.0827 9.0827 9.1368 9.1368 9.3806 9.3806 9.6102 9.6102 10.2132 10.2132 10.3592 10.3592 10.5982 10.5982 11.2822 11.2822 12.6255 12.6255 12.7449 12.7449 13.1994 13.1994 13.5633 13.5633 14.2749 14.2749 14.5536 14.5536 k = 0.2955 0.1706-0.0000 ( 4754 PWs) bands (ev): 0.8555 0.8555 2.6575 2.6575 3.4420 3.4420 4.1303 4.1303 4.8666 4.8666 5.5207 5.5207 5.7886 5.7886 5.8861 5.8861 5.9516 5.9516 6.3366 6.3366 6.7432 6.7432 7.0677 7.0677 7.2415 7.2415 7.3144 7.3144 7.4095 7.4095 7.6094 7.6094 7.7434 7.7434 7.9078 7.9078 8.2174 8.2174 8.4536 8.4536 8.8170 8.8170 9.0693 9.0693 9.1226 9.1226 9.3496 9.3496 9.6020 9.6020 10.1503 10.1503 10.2980 10.2980 10.5507 10.5507 11.1769 11.1769 12.6152 12.6152 12.7114 12.7114 13.1436 13.1436 13.5290 13.5290 14.1895 14.1895 14.5491 14.5491 k = 0.3068 0.1771-0.0000 ( 4764 PWs) bands (ev): 0.9370 0.9370 2.7134 2.7134 3.4994 3.4994 4.0793 4.0793 4.8288 4.8288 5.5406 5.5406 5.8010 5.8010 5.8949 5.8949 5.9745 5.9745 6.3182 6.3182 6.7415 6.7415 7.0718 7.0718 7.2205 7.2205 7.3088 7.3088 7.4067 7.4067 7.6059 7.6059 7.7348 7.7348 7.9102 7.9102 8.2049 8.2049 8.4283 8.4283 8.7576 8.7576 9.0546 9.0546 9.1084 9.1084 9.3276 9.3276 9.5897 9.5897 10.0668 10.0668 10.2481 10.2481 10.5180 10.5180 11.0817 11.0817 12.6034 12.6034 12.6781 12.6781 13.0854 13.0854 13.4968 13.4968 14.1013 14.1013 14.5467 14.5467 k = 0.3182 0.1837-0.0000 ( 4768 PWs) bands (ev): 1.0209 1.0209 2.7702 2.7702 3.5558 3.5558 4.0261 4.0261 4.7899 4.7899 5.5575 5.5575 5.8106 5.8106 5.9058 5.9058 6.0004 6.0004 6.3027 6.3027 6.7370 6.7370 7.0727 7.0727 7.1928 7.1928 7.2978 7.2978 7.4137 7.4137 7.5979 7.5979 7.7325 7.7325 7.9175 7.9175 8.1912 8.1912 8.3972 8.3972 8.7075 8.7075 9.0381 9.0381 9.0943 9.0943 9.3116 9.3116 9.5728 9.5728 9.9770 9.9770 10.1983 10.1983 10.4971 10.4971 10.9980 10.9980 12.5875 12.5875 12.6478 12.6478 13.0264 13.0264 13.4656 13.4656 14.0140 14.0140 14.5438 14.5438 k = 0.3295 0.1903-0.0000 ( 4758 PWs) bands (ev): 1.1071 1.1071 2.8278 2.8278 3.6100 3.6100 3.9709 3.9709 4.7512 4.7512 5.5707 5.5707 5.8190 5.8190 5.9181 5.9181 6.0277 6.0277 6.2912 6.2912 6.7285 6.7285 7.0659 7.0659 7.1673 7.1673 7.2844 7.2844 7.4246 7.4246 7.5876 7.5876 7.7359 7.7359 7.9280 7.9280 8.1752 8.1752 8.3608 8.3608 8.6694 8.6694 9.0197 9.0197 9.0802 9.0802 9.2994 9.2994 9.5510 9.5510 9.8876 9.8876 10.1468 10.1468 10.4833 10.4833 10.9267 10.9267 12.5644 12.5644 12.6241 12.6241 12.9682 12.9682 13.4340 13.4340 13.9301 13.9301 14.5397 14.5397 k = 0.3409 0.1968-0.0000 ( 4756 PWs) bands (ev): 1.1956 1.1956 2.8859 2.8859 3.6600 3.6600 3.9147 3.9147 4.7136 4.7136 5.5800 5.5800 5.8273 5.8273 5.9305 5.9305 6.0549 6.0549 6.2850 6.2850 6.7149 6.7149 7.0469 7.0469 7.1530 7.1530 7.2692 7.2692 7.4356 7.4356 7.5780 7.5780 7.7436 7.7436 7.9398 7.9398 8.1558 8.1558 8.3218 8.3218 8.6432 8.6432 8.9996 8.9996 9.0656 9.0656 9.2896 9.2896 9.5242 9.5242 9.8022 9.8022 10.0948 10.0948 10.4722 10.4722 10.8689 10.8689 12.5344 12.5344 12.6068 12.6068 12.9124 12.9124 13.4007 13.4007 13.8513 13.8513 14.5342 14.5342 k = 0.3523 0.2034-0.0000 ( 4756 PWs) bands (ev): 1.2863 1.2863 2.9440 2.9440 3.7004 3.7004 3.8618 3.8618 4.6784 4.6784 5.5854 5.5854 5.8357 5.8357 5.9419 5.9419 6.0807 6.0807 6.2856 6.2856 6.6953 6.6953 7.0195 7.0195 7.1498 7.1498 7.2519 7.2519 7.4444 7.4444 7.5714 7.5714 7.7544 7.7544 7.9514 7.9514 8.1322 8.1322 8.2843 8.2843 8.6267 8.6267 8.9781 8.9781 9.0503 9.0503 9.2809 9.2809 9.4922 9.4922 9.7236 9.7236 10.0437 10.0437 10.4610 10.4610 10.8247 10.8247 12.5013 12.5013 12.5919 12.5919 12.8603 12.8603 13.3644 13.3644 13.7793 13.7793 14.5276 14.5276 k = 0.3636 0.2099-0.0000 ( 4760 PWs) bands (ev): 1.3790 1.3790 3.0016 3.0016 3.7124 3.7124 3.8300 3.8300 4.6469 4.6469 5.5874 5.5874 5.8437 5.8437 5.9515 5.9515 6.1042 6.1042 6.2940 6.2940 6.6694 6.6694 6.9912 6.9912 7.1516 7.1516 7.2331 7.2331 7.4499 7.4499 7.5692 7.5692 7.7673 7.7673 7.9608 7.9608 8.1058 8.1058 8.2510 8.2510 8.6172 8.6172 8.9553 8.9553 9.0338 9.0338 9.2727 9.2727 9.4546 9.4546 9.6548 9.6548 9.9943 9.9943 10.4482 10.4482 10.7937 10.7937 12.4681 12.4681 12.5763 12.5763 12.8137 12.8137 13.3238 13.3238 13.7156 13.7156 14.5201 14.5201 k = 0.3750 0.2165-0.0000 ( 4760 PWs) bands (ev): 1.4736 1.4736 3.0577 3.0577 3.6753 3.6753 3.8395 3.8395 4.6204 4.6204 5.5864 5.5864 5.8503 5.8503 5.9589 5.9589 6.1254 6.1254 6.3102 6.3102 6.6382 6.6382 6.9659 6.9659 7.1537 7.1537 7.2143 7.2143 7.4525 7.4525 7.5712 7.5712 7.7813 7.7813 7.9651 7.9651 8.0811 8.0811 8.2226 8.2226 8.6123 8.6123 8.9313 8.9313 9.0161 9.0161 9.2638 9.2638 9.4115 9.4115 9.5987 9.5987 9.9470 9.9470 10.4335 10.4335 10.7742 10.7742 12.4363 12.4363 12.5579 12.5579 12.7739 12.7739 13.2785 13.2785 13.6611 13.6611 14.5120 14.5120 k = 0.3864 0.2231-0.0000 ( 4750 PWs) bands (ev): 1.5700 1.5700 3.1107 3.1107 3.6150 3.6150 3.8640 3.8640 4.6002 4.6002 5.5830 5.5830 5.8548 5.8548 5.9641 5.9641 6.1451 6.1451 6.3327 6.3327 6.6040 6.6040 6.9442 6.9442 7.1516 7.1516 7.1991 7.1991 7.4531 7.4531 7.5760 7.5760 7.7952 7.7952 7.9604 7.9604 8.0652 8.0652 8.1980 8.1980 8.6101 8.6101 8.9064 8.9064 8.9973 8.9973 9.2532 9.2532 9.3649 9.3649 9.5565 9.5565 9.9021 9.9021 10.4174 10.4174 10.7641 10.7641 12.4071 12.4071 12.5357 12.5357 12.7421 12.7421 13.2286 13.2286 13.6160 13.6160 14.5038 14.5038 k = 0.3977 0.2296-0.0000 ( 4752 PWs) bands (ev): 1.6679 1.6679 3.1572 3.1572 3.5511 3.5511 3.8860 3.8860 4.5871 4.5871 5.5777 5.5777 5.8563 5.8563 5.9676 5.9676 6.1641 6.1641 6.3587 6.3587 6.5699 6.5699 6.9249 6.9249 7.1413 7.1413 7.1915 7.1915 7.4530 7.4530 7.5817 7.5817 7.8072 7.8072 7.9477 7.9477 8.0606 8.0606 8.1760 8.1760 8.6091 8.6091 8.8809 8.8809 8.9774 8.9774 9.2384 9.2384 9.3202 9.3202 9.5269 9.5269 9.8598 9.8598 10.4009 10.4009 10.7609 10.7609 12.3809 12.3809 12.5099 12.5099 12.7182 12.7182 13.1753 13.1753 13.5795 13.5795 14.4955 14.4955 k = 0.4091 0.2362-0.0000 ( 4764 PWs) bands (ev): 1.7673 1.7673 3.1891 3.1891 3.4954 3.4954 3.9006 3.9006 4.5815 4.5815 5.5710 5.5710 5.8547 5.8547 5.9701 5.9701 6.1825 6.1825 6.3846 6.3846 6.5403 6.5403 6.9067 6.9067 7.1252 7.1252 7.1898 7.1898 7.4534 7.4534 7.5867 7.5867 7.8147 7.8147 7.9352 7.9352 8.0627 8.0627 8.1566 8.1566 8.6079 8.6079 8.8551 8.8551 8.9570 8.9570 9.2156 9.2156 9.2853 9.2853 9.5078 9.5078 9.8200 9.8200 10.3848 10.3848 10.7623 10.7623 12.3584 12.3584 12.4817 12.4817 12.7012 12.7012 13.1205 13.1205 13.5504 13.5504 14.4876 14.4876 k = 0.4205 0.2427-0.0000 ( 4764 PWs) bands (ev): 1.8678 1.8678 3.1911 3.1911 3.4646 3.4646 3.9063 3.9063 4.5830 4.5830 5.5633 5.5633 5.8502 5.8502 5.9722 5.9722 6.1996 6.1996 6.4043 6.4043 6.5220 6.5220 6.8884 6.8884 7.1081 7.1081 7.1896 7.1896 7.4547 7.4547 7.5893 7.5893 7.8159 7.8159 7.9296 7.9296 8.0663 8.0663 8.1410 8.1410 8.6049 8.6049 8.8301 8.8301 8.9362 8.9362 9.1848 9.1848 9.2634 9.2634 9.4971 9.4971 9.7827 9.7827 10.3698 10.3698 10.7667 10.7667 12.3399 12.3399 12.4530 12.4530 12.6894 12.6894 13.0662 13.0662 13.5273 13.5273 14.4801 14.4801 k = 0.4318 0.2493-0.0000 ( 4764 PWs) bands (ev): 1.9693 1.9693 3.1522 3.1522 3.4700 3.4700 3.9029 3.9029 4.5905 4.5905 5.5551 5.5551 5.8435 5.8435 5.9742 5.9742 6.2143 6.2143 6.4106 6.4106 6.5229 6.5229 6.8693 6.8693 7.0923 7.0923 7.1892 7.1892 7.4574 7.4574 7.5882 7.5882 7.8132 7.8132 7.9307 7.9307 8.0682 8.0682 8.1312 8.1312 8.5988 8.5988 8.8077 8.8077 8.9152 8.9152 9.1530 9.1530 9.2496 9.2496 9.4929 9.4929 9.7480 9.7480 10.3563 10.3563 10.7725 10.7725 12.3254 12.3254 12.4255 12.4255 12.6814 12.6814 13.0141 13.0141 13.5090 13.5090 14.4733 14.4733 k = 0.4432 0.2559-0.0000 ( 4756 PWs) bands (ev): 2.0714 2.0714 3.0837 3.0837 3.5005 3.5005 3.8912 3.8912 4.6019 4.6019 5.5470 5.5470 5.8356 5.8356 5.9762 5.9762 6.2251 6.2251 6.4061 6.4061 6.5410 6.5410 6.8491 6.8491 7.0789 7.0789 7.1879 7.1879 7.4619 7.4619 7.5826 7.5826 7.8111 7.8111 7.9327 7.9327 8.0689 8.0689 8.1279 8.1279 8.5882 8.5882 8.7900 8.7900 8.8943 8.8943 9.1256 9.1256 9.2397 9.2397 9.4942 9.4942 9.7158 9.7158 10.3446 10.3446 10.7787 10.7787 12.3149 12.3149 12.4003 12.4003 12.6761 12.6761 12.9662 12.9662 13.4946 13.4946 14.4673 14.4673 k = 0.4545 0.2624-0.0000 ( 4752 PWs) bands (ev): 2.1736 2.1736 3.0005 3.0005 3.5415 3.5415 3.8724 3.8724 4.6151 4.6151 5.5394 5.5394 5.8274 5.8274 5.9779 5.9779 6.2313 6.2313 6.4002 6.4002 6.5666 6.5666 6.8283 6.8283 7.0679 7.0679 7.1860 7.1860 7.4682 7.4682 7.5728 7.5728 7.8128 7.8128 7.9304 7.9304 8.0721 8.0721 8.1289 8.1289 8.5731 8.5731 8.7790 8.7790 8.8735 8.8735 9.1044 9.1044 9.2320 9.2320 9.4996 9.4996 9.6863 9.6863 10.3347 10.3347 10.7847 10.7847 12.3080 12.3080 12.3784 12.3784 12.6727 12.6727 12.9238 12.9238 13.4835 13.4835 14.4623 14.4623 k = 0.4659 0.2690-0.0000 ( 4752 PWs) bands (ev): 2.2751 2.2751 2.9104 2.9104 3.5855 3.5855 3.8481 3.8481 4.6279 4.6279 5.5329 5.5329 5.8198 5.8198 5.9794 5.9794 6.2333 6.2333 6.3972 6.3972 6.5933 6.5933 6.8077 6.8077 7.0594 7.0594 7.1837 7.1837 7.4765 7.4765 7.5598 7.5598 7.8187 7.8187 7.9220 7.9220 8.0795 8.0795 8.1314 8.1314 8.5555 8.5555 8.7751 8.7751 8.8532 8.8532 9.0892 9.0892 9.2262 9.2262 9.5080 9.5080 9.6599 9.6599 10.3270 10.3270 10.7899 10.7899 12.3043 12.3043 12.3603 12.3603 12.6706 12.6706 12.8887 12.8887 13.4753 13.4753 14.4582 14.4582 k = 0.4773 0.2756-0.0000 ( 4738 PWs) bands (ev): 2.3741 2.3741 2.8183 2.8183 3.6282 3.6282 3.8202 3.8202 4.6385 4.6385 5.5280 5.5280 5.8137 5.8137 5.9805 5.9805 6.2326 6.2326 6.3970 6.3970 6.6174 6.6174 6.7887 6.7887 7.0534 7.0534 7.1817 7.1817 7.4866 7.4866 7.5451 7.5451 7.8278 7.8278 7.9097 7.9097 8.0892 8.0892 8.1336 8.1336 8.5387 8.5387 8.7775 8.7775 8.8342 8.8342 9.0792 9.0792 9.2221 9.2221 9.5180 9.5180 9.6375 9.6375 10.3214 10.3214 10.7938 10.7938 12.3031 12.3031 12.3465 12.3465 12.6696 12.6696 12.8622 12.8622 13.4696 13.4696 14.4553 14.4553 k = 0.4886 0.2821-0.0000 ( 4738 PWs) bands (ev): 2.4646 2.4646 2.7317 2.7317 3.6643 3.6643 3.7931 3.7931 4.6454 4.6454 5.5249 5.5249 5.8097 5.8097 5.9811 5.9811 6.2313 6.2313 6.3979 6.3979 6.6353 6.6353 6.7742 6.7742 7.0497 7.0497 7.1802 7.1802 7.4981 7.4981 7.5303 7.5303 7.8374 7.8374 7.8975 7.8975 8.0973 8.0973 8.1348 8.1348 8.5265 8.5265 8.7844 8.7844 8.8177 8.8177 9.0736 9.0736 9.2197 9.2197 9.5271 9.5271 9.6211 9.6211 10.3180 10.3180 10.7962 10.7962 12.3033 12.3033 12.3374 12.3374 12.6692 12.6692 12.8456 12.8456 13.4662 13.4662 14.4536 14.4536 k = 0.5000 0.2887-0.0000 ( 4742 PWs) bands (ev): 2.5136 2.5136 2.6838 2.6838 3.6812 3.6812 3.7793 3.7793 4.6478 4.6478 5.5238 5.5238 5.8084 5.8084 5.9814 5.9814 6.2307 6.2307 6.3983 6.3983 6.6423 6.6423 6.7684 6.7684 7.0485 7.0485 7.1797 7.1797 7.5066 7.5066 7.5207 7.5207 7.8422 7.8422 7.8917 7.8917 8.1005 8.1005 8.1352 8.1352 8.5221 8.5221 8.7903 8.7903 8.8086 8.8086 9.0718 9.0718 9.2188 9.2188 9.5311 9.5311 9.6147 9.6147 10.3168 10.3168 10.7970 10.7970 12.3036 12.3036 12.3342 12.3342 12.6691 12.6691 12.8400 12.8400 13.4651 13.4651 14.4530 14.4530 k = 0.5000 0.2887-0.0000 ( 4742 PWs) bands (ev): 2.5136 2.5136 2.6838 2.6838 3.6812 3.6812 3.7793 3.7793 4.6478 4.6478 5.5238 5.5238 5.8084 5.8084 5.9814 5.9814 6.2307 6.2307 6.3983 6.3983 6.6423 6.6423 6.7684 6.7684 7.0485 7.0485 7.1797 7.1797 7.5066 7.5066 7.5207 7.5207 7.8422 7.8422 7.8917 7.8917 8.1005 8.1005 8.1352 8.1352 8.5221 8.5221 8.7903 8.7903 8.8086 8.8086 9.0718 9.0718 9.2188 9.2188 9.5311 9.5311 9.6147 9.6147 10.3168 10.3168 10.7970 10.7970 12.3036 12.3036 12.3342 12.3342 12.6691 12.6691 12.8400 12.8400 13.4651 13.4651 14.4530 14.4530 k = 0.4933 0.3002-0.0000 ( 4744 PWs) bands (ev): 2.5146 2.5146 2.6856 2.6856 3.6824 3.6824 3.7803 3.7803 4.6478 4.6478 5.5223 5.5223 5.8091 5.8091 5.9765 5.9765 6.2330 6.2330 6.3949 6.3949 6.6362 6.6362 6.7771 6.7771 7.0502 7.0502 7.1791 7.1791 7.5061 7.5061 7.5209 7.5209 7.8351 7.8351 7.8955 7.8955 8.0934 8.0934 8.1455 8.1455 8.5174 8.5174 8.7761 8.7761 8.8209 8.8209 9.0713 9.0713 9.2172 9.2172 9.5163 9.5163 9.6350 9.6350 10.3176 10.3176 10.8010 10.8010 12.2993 12.2993 12.3305 12.3305 12.6438 12.6438 12.8408 12.8408 13.4932 13.4932 14.4607 14.4607 k = 0.4867 0.3118-0.0000 ( 4744 PWs) bands (ev): 2.5175 2.5175 2.6907 2.6907 3.6860 3.6860 3.7836 3.7836 4.6478 4.6478 5.5177 5.5177 5.8113 5.8113 5.9629 5.9629 6.2379 6.2379 6.3855 6.3855 6.6231 6.6231 6.7980 6.7980 7.0554 7.0554 7.1773 7.1773 7.5047 7.5047 7.5216 7.5216 7.8187 7.8187 7.9019 7.9019 8.0827 8.0827 8.1661 8.1661 8.5033 8.5033 8.7545 8.7545 8.8369 8.8369 9.0691 9.0691 9.2131 9.2131 9.4905 9.4905 9.6770 9.6770 10.3201 10.3201 10.8124 10.8124 12.2687 12.2687 12.3375 12.3375 12.5791 12.5791 12.8410 12.8410 13.5692 13.5692 14.4830 14.4830 k = 0.4800 0.3233-0.0000 ( 4744 PWs) bands (ev): 2.5225 2.5225 2.6993 2.6993 3.6920 3.6920 3.7889 3.7889 4.6478 4.6478 5.5099 5.5099 5.8143 5.8143 5.9433 5.9433 6.2399 6.2399 6.3736 6.3736 6.6100 6.6100 6.8239 6.8239 7.0644 7.0644 7.1745 7.1745 7.5023 7.5023 7.5224 7.5224 7.7987 7.7987 7.9052 7.9052 8.0752 8.0752 8.1898 8.1898 8.4805 8.4805 8.7323 8.7323 8.8512 8.8512 9.0632 9.0632 9.2086 9.2086 9.4669 9.4669 9.7267 9.7267 10.3245 10.3245 10.8303 10.8303 12.2107 12.2107 12.3539 12.3539 12.4973 12.4973 12.8389 12.8389 13.6774 13.6774 14.5176 14.5176 k = 0.4733 0.3349-0.0000 ( 4736 PWs) bands (ev): 2.5293 2.5293 2.7112 2.7112 3.7004 3.7004 3.7963 3.7963 4.6476 4.6476 5.4985 5.4985 5.8173 5.8173 5.9210 5.9210 6.2309 6.2309 6.3661 6.3661 6.6002 6.6002 6.8503 6.8503 7.0771 7.0771 7.1709 7.1709 7.4990 7.4990 7.5234 7.5234 7.7773 7.7773 7.9038 7.9038 8.0717 8.0717 8.2147 8.2147 8.4504 8.4504 8.7107 8.7107 8.8635 8.8635 9.0514 9.0514 9.2065 9.2065 9.4481 9.4481 9.7800 9.7800 10.3313 10.3313 10.8528 10.8528 12.1339 12.1339 12.3380 12.3380 12.4473 12.4473 12.8348 12.8348 13.8054 13.8054 14.5616 14.5616 k = 0.4667 0.3464-0.0000 ( 4740 PWs) bands (ev): 2.5381 2.5381 2.7266 2.7266 3.7113 3.7113 3.8057 3.8057 4.6473 4.6473 5.4831 5.4831 5.8179 5.8179 5.9001 5.9001 6.2060 6.2060 6.3681 6.3681 6.5941 6.5941 6.8749 6.8749 7.0934 7.0934 7.1671 7.1671 7.4945 7.4945 7.5245 7.5245 7.7559 7.7559 7.8981 7.8981 8.0710 8.0710 8.2393 8.2393 8.4152 8.4152 8.6902 8.6902 8.8738 8.8738 9.0331 9.0331 9.2087 9.2087 9.4343 9.4343 9.8347 9.8347 10.3413 10.3413 10.8779 10.8779 12.0445 12.0445 12.2500 12.2500 12.4729 12.4729 12.8291 12.8291 13.9457 13.9457 14.6122 14.6122 k = 0.4600 0.3580-0.0000 ( 4736 PWs) bands (ev): 2.5487 2.5487 2.7453 2.7453 3.7245 3.7245 3.8171 3.8171 4.6467 4.6467 5.4632 5.4632 5.8122 5.8122 5.8850 5.8850 6.1682 6.1682 6.3782 6.3782 6.5910 6.5910 6.8967 6.8967 7.1115 7.1115 7.1647 7.1647 7.4885 7.4885 7.5256 7.5256 7.7355 7.7355 7.8894 7.8894 8.0707 8.0707 8.2619 8.2619 8.3785 8.3785 8.6712 8.6712 8.8822 8.8822 9.0101 9.0101 9.2152 9.2152 9.4248 9.4248 9.8886 9.8886 10.3554 10.3554 10.9030 10.9030 11.9483 11.9483 12.1427 12.1427 12.5239 12.5239 12.8222 12.8222 14.0938 14.0938 14.6675 14.6675 k = 0.4533 0.3695-0.0000 ( 4752 PWs) bands (ev): 2.5612 2.5612 2.7673 2.7673 3.7400 3.7400 3.8303 3.8303 4.6456 4.6456 5.4385 5.4385 5.7980 5.7980 5.8773 5.8773 6.1244 6.1244 6.3922 6.3922 6.5898 6.5898 6.9157 6.9157 7.1258 7.1258 7.1690 7.1690 7.4808 7.4808 7.5268 7.5268 7.7167 7.7167 7.8794 7.8794 8.0681 8.0681 8.2773 8.2773 8.3472 8.3472 8.6537 8.6537 8.8883 8.8883 8.9853 8.9853 9.2250 9.2250 9.4189 9.4189 9.9398 9.9398 10.3750 10.3750 10.9251 10.9251 11.8507 11.8507 12.0316 12.0316 12.5849 12.5849 12.8145 12.8145 14.2468 14.2468 14.7264 14.7264 k = 0.4467 0.3811-0.0000 ( 4748 PWs) bands (ev): 2.5754 2.5754 2.7925 2.7925 3.7579 3.7579 3.8452 3.8452 4.6440 4.6440 5.4085 5.4085 5.7786 5.7786 5.8704 5.8704 6.0820 6.0820 6.4076 6.4076 6.5896 6.5896 6.9321 6.9321 7.1287 7.1287 7.1866 7.1866 7.4712 7.4712 7.5283 7.5283 7.7001 7.7001 7.8691 7.8691 8.0610 8.0610 8.2711 8.2711 8.3378 8.3378 8.6381 8.6381 8.8904 8.8904 8.9630 8.9630 9.2371 9.2371 9.4160 9.4160 9.9858 9.9858 10.4014 10.4014 10.9403 10.9403 11.7575 11.7575 11.9208 11.9208 12.6509 12.6509 12.8071 12.8071 14.4027 14.4027 14.7882 14.7882 k = 0.4400 0.3926-0.0000 ( 4736 PWs) bands (ev): 2.5914 2.5914 2.8209 2.8209 3.7781 3.7781 3.8616 3.8616 4.6416 4.6416 5.3733 5.3733 5.7580 5.7580 5.8538 5.8538 6.0503 6.0503 6.4231 6.4231 6.5895 6.5895 6.9463 6.9463 7.1243 7.1243 7.2125 7.2125 7.4596 7.4596 7.5300 7.5300 7.6860 7.6860 7.8596 7.8596 8.0474 8.0474 8.2468 8.2468 8.3484 8.3484 8.6249 8.6249 8.8852 8.8852 8.9480 8.9480 9.2503 9.2503 9.4158 9.4158 10.0246 10.0246 10.4359 10.4359 10.9440 10.9440 11.6743 11.6743 11.8128 11.8128 12.7136 12.7136 12.8059 12.8059 14.5594 14.5594 14.8524 14.8524 k = 0.4333 0.4041-0.0000 ( 4748 PWs) bands (ev): 2.6090 2.6090 2.8525 2.8525 3.8006 3.8006 3.8792 3.8792 4.6382 4.6382 5.3330 5.3330 5.7378 5.7378 5.8193 5.8193 6.0368 6.0368 6.4381 6.4381 6.5890 6.5890 6.9590 6.9590 7.1173 7.1173 7.2409 7.2409 7.4465 7.4465 7.5322 7.5322 7.6745 7.6745 7.8515 7.8515 8.0268 8.0268 8.2216 8.2216 8.3622 8.3622 8.6144 8.6144 8.8717 8.8717 8.9428 8.9428 9.2638 9.2638 9.4184 9.4184 10.0549 10.0549 10.4786 10.4786 10.9312 10.9312 11.6060 11.6060 11.7106 11.7106 12.7450 12.7450 12.8365 12.8365 14.7134 14.7134 14.9163 14.9163 k = 0.4267 0.4157-0.0000 ( 4748 PWs) bands (ev): 2.6281 2.6281 2.8871 2.8871 3.8254 3.8254 3.8976 3.8976 4.6336 4.6336 5.2883 5.2883 5.7178 5.7178 5.7695 5.7695 6.0405 6.0405 6.4519 6.4519 6.5879 6.5879 6.9702 6.9702 7.1095 7.1095 7.2692 7.2692 7.4325 7.4325 7.5347 7.5347 7.6654 7.6654 7.8451 7.8451 8.0003 8.0003 8.2001 8.2001 8.3738 8.3738 8.6070 8.6070 8.8543 8.8543 8.9439 8.9439 9.2768 9.2768 9.4239 9.4239 10.0763 10.0763 10.5282 10.5282 10.8987 10.8987 11.5511 11.5511 11.6224 11.6224 12.7401 12.7401 12.9015 12.9015 14.8542 14.8542 14.9593 14.9593 k = 0.4200 0.4272-0.0000 ( 4752 PWs) bands (ev): 2.6486 2.6486 2.9247 2.9247 3.8523 3.8523 3.9163 3.9163 4.6276 4.6276 5.2400 5.2400 5.6872 5.6872 5.7212 5.7212 6.0551 6.0551 6.4644 6.4644 6.5861 6.5861 6.9803 6.9803 7.1016 7.1016 7.2956 7.2956 7.4187 7.4187 7.5375 7.5375 7.6583 7.6583 7.8406 7.8406 7.9705 7.9705 8.1821 8.1821 8.3819 8.3819 8.6021 8.6021 8.8376 8.8376 8.9477 8.9477 9.2883 9.2883 9.4327 9.4327 10.0893 10.0893 10.5810 10.5810 10.8486 10.8486 11.4871 11.4871 11.5728 11.5728 12.7237 12.7237 12.9737 12.9737 14.8610 14.8610 14.9986 14.9986 k = 0.4133 0.4388-0.0000 ( 4750 PWs) bands (ev): 2.6705 2.6705 2.9652 2.9652 3.8813 3.8813 3.9346 3.9346 4.6199 4.6199 5.1893 5.1893 5.6268 5.6268 5.6986 5.6986 6.0762 6.0762 6.4748 6.4748 6.5839 6.5839 6.9891 6.9891 7.0941 7.0941 7.3185 7.3185 7.4063 7.4063 7.5401 7.5401 7.6530 7.6530 7.8374 7.8374 7.9405 7.9405 8.1669 8.1669 8.3860 8.3860 8.5989 8.5989 8.8237 8.8237 8.9525 8.9525 9.2978 9.2978 9.4449 9.4449 10.0947 10.0947 10.6267 10.6267 10.7934 10.7934 11.4109 11.4109 11.5632 11.5632 12.7021 12.7021 13.0444 13.0444 14.7517 14.7517 15.0088 15.0088 k = 0.4067 0.4503-0.0000 ( 4762 PWs) bands (ev): 2.6936 2.6936 3.0085 3.0085 3.9123 3.9123 3.9515 3.9515 4.6106 4.6106 5.1375 5.1375 5.5557 5.5557 5.6850 5.6850 6.1012 6.1012 6.4826 6.4826 6.5818 6.5818 6.9966 6.9966 7.0877 7.0877 7.3356 7.3356 7.3975 7.3975 7.5421 7.5421 7.6491 7.6491 7.8336 7.8336 7.9143 7.9143 8.1545 8.1545 8.3865 8.3865 8.5954 8.5954 8.8140 8.8140 8.9577 8.9577 9.3048 9.3048 9.4607 9.4607 10.0929 10.0929 10.6279 10.6279 10.7736 10.7736 11.3400 11.3400 11.5732 11.5732 12.6763 12.6763 13.1102 13.1102 14.6382 14.6382 14.9382 14.9382 k = 0.4000 0.4619-0.0000 ( 4762 PWs) bands (ev): 2.7177 2.7177 3.0543 3.0543 3.9447 3.9447 3.9662 3.9662 4.6000 4.6000 5.0861 5.0861 5.4814 5.4814 5.6741 5.6741 6.1289 6.1289 6.4871 6.4871 6.5806 6.5806 7.0026 7.0026 7.0827 7.0827 7.3439 7.3439 7.3956 7.3956 7.5424 7.5424 7.6462 7.6462 7.8260 7.8260 7.8966 7.8966 8.1454 8.1454 8.3838 8.3838 8.5899 8.5899 8.8092 8.8092 8.9631 8.9631 9.3093 9.3093 9.4798 9.4798 10.0844 10.0844 10.5680 10.5680 10.8075 10.8075 11.2825 11.2825 11.5938 11.5938 12.6465 12.6465 13.1685 13.1685 14.5306 14.5306 14.8467 14.8467 k = 0.3933 0.4734-0.0000 ( 4758 PWs) bands (ev): 2.7426 2.7426 3.1027 3.1027 3.9707 3.9707 3.9843 3.9843 4.5887 4.5887 5.0364 5.0364 5.4057 5.4057 5.6652 5.6652 6.1583 6.1583 6.4877 6.4877 6.5809 6.5809 7.0072 7.0072 7.0795 7.0795 7.3431 7.3431 7.4010 7.4010 7.5404 7.5404 7.6435 7.6435 7.8129 7.8129 7.8897 7.8897 8.1406 8.1406 8.3785 8.3785 8.5809 8.5809 8.8095 8.8095 8.9687 8.9687 9.3113 9.3113 9.5017 9.5017 10.0692 10.0692 10.4904 10.4904 10.8502 10.8502 11.2451 11.2451 11.6201 11.6201 12.6126 12.6126 13.2174 13.2174 14.4322 14.4322 14.7537 14.7537 k = 0.3867 0.4850-0.0000 ( 4752 PWs) bands (ev): 2.7682 2.7682 3.1534 3.1534 3.9748 3.9748 4.0187 4.0187 4.5784 4.5784 4.9897 4.9897 5.3297 5.3297 5.6577 5.6577 6.1885 6.1885 6.4846 6.4846 6.5827 6.5827 7.0107 7.0107 7.0781 7.0781 7.3378 7.3378 7.4094 7.4094 7.5356 7.5356 7.6400 7.6400 7.7987 7.7987 7.8894 7.8894 8.1412 8.1412 8.3713 8.3713 8.5678 8.5678 8.8142 8.8142 8.9745 8.9745 9.3110 9.3110 9.5259 9.5259 10.0472 10.0472 10.4124 10.4124 10.8802 10.8802 11.2353 11.2353 11.6493 11.6493 12.5747 12.5747 13.2548 13.2548 14.3455 14.3455 14.6656 14.6656 k = 0.3800 0.4965-0.0000 ( 4738 PWs) bands (ev): 2.7941 2.7941 3.2062 3.2062 3.9673 3.9673 4.0563 4.0563 4.5710 4.5710 4.9469 4.9469 5.2545 5.2545 5.6516 5.6516 6.2189 6.2189 6.4782 6.4782 6.5855 6.5855 7.0136 7.0136 7.0783 7.0783 7.3313 7.3313 7.4177 7.4177 7.5284 7.5284 7.6345 7.6345 7.7883 7.7883 7.8909 7.8909 8.1482 8.1482 8.3628 8.3628 8.5507 8.5507 8.8220 8.8220 8.9805 8.9805 9.3088 9.3088 9.5516 9.5516 10.0186 10.0186 10.3399 10.3399 10.8906 10.8906 11.2564 11.2564 11.6791 11.6791 12.5329 12.5329 13.2795 13.2795 14.2726 14.2726 14.5853 14.5853 k = 0.3733 0.5081-0.0000 ( 4748 PWs) bands (ev): 2.8200 2.8200 3.2610 3.2610 3.9476 3.9476 4.0951 4.0951 4.5690 4.5690 4.9081 4.9081 5.1809 5.1809 5.6466 5.6466 6.2488 6.2488 6.4698 6.4698 6.5886 6.5886 7.0166 7.0166 7.0794 7.0794 7.3244 7.3244 7.4252 7.4252 7.5193 7.5193 7.6266 7.6266 7.7838 7.7838 7.8912 7.8912 8.1620 8.1620 8.3537 8.3537 8.5299 8.5299 8.8313 8.8313 8.9869 8.9869 9.3049 9.3049 9.5784 9.5784 9.9845 9.9845 10.2755 10.2755 10.8860 10.8860 11.3018 11.3018 11.7078 11.7078 12.4879 12.4879 13.2910 13.2910 14.2148 14.2148 14.5142 14.5142 k = 0.3667 0.5196-0.0000 ( 4752 PWs) bands (ev): 2.8454 2.8454 3.3175 3.3175 3.9146 3.9146 4.1342 4.1342 4.5741 4.5741 4.8728 4.8728 5.1105 5.1105 5.6428 5.6428 6.2772 6.2772 6.4601 6.4601 6.5914 6.5914 7.0206 7.0206 7.0808 7.0808 7.3172 7.3172 7.4316 7.4316 7.5098 7.5098 7.6170 7.6170 7.7849 7.7849 7.8889 7.8889 8.1816 8.1816 8.3447 8.3447 8.5060 8.5060 8.8408 8.8408 8.9936 8.9936 9.2995 9.2995 9.6054 9.6054 9.9467 9.9467 10.2207 10.2207 10.8748 10.8748 11.3607 11.3607 11.7340 11.7340 12.4403 12.4403 13.2905 13.2905 14.1721 14.1721 14.4536 14.4536 k = 0.3600 0.5312-0.0000 ( 4760 PWs) bands (ev): 2.8697 2.8697 3.3755 3.3755 3.8692 3.8692 4.1726 4.1726 4.5867 4.5867 4.8399 4.8399 5.0453 5.0453 5.6400 5.6400 6.3032 6.3032 6.4501 6.4501 6.5936 6.5936 7.0258 7.0258 7.0816 7.0816 7.3097 7.3097 7.4370 7.4370 7.5013 7.5013 7.6067 7.6067 7.7905 7.7905 7.8839 7.8839 8.2056 8.2056 8.3369 8.3369 8.4797 8.4797 8.8491 8.8491 9.0006 9.0006 9.2931 9.2931 9.6317 9.6317 9.9086 9.9086 10.1754 10.1754 10.8629 10.8629 11.4241 11.4241 11.7568 11.7568 12.3918 12.3918 13.2806 13.2806 14.1433 14.1433 14.4040 14.4040 k = 0.3533 0.5427-0.0000 ( 4748 PWs) bands (ev): 2.8918 2.8918 3.4344 3.4344 3.8137 3.8137 4.2086 4.2086 4.6056 4.6056 4.8084 4.8084 4.9884 4.9884 5.6380 5.6380 6.3256 6.3256 6.4409 6.4409 6.5951 6.5951 7.0324 7.0324 7.0813 7.0813 7.3021 7.3021 7.4417 7.4417 7.4947 7.4947 7.5969 7.5969 7.7990 7.7990 7.8765 7.8765 8.2311 8.2311 8.3319 8.3319 8.4517 8.4517 8.8556 8.8556 9.0076 9.0076 9.2864 9.2864 9.6557 9.6557 9.8737 9.8737 10.1395 10.1395 10.8530 10.8530 11.4851 11.4851 11.7758 11.7758 12.3447 12.3447 13.2656 13.2656 14.1255 14.1255 14.3659 14.3659 k = 0.3467 0.5543-0.0000 ( 4752 PWs) bands (ev): 2.9106 2.9106 3.4939 3.4939 3.7519 3.7519 4.2397 4.2397 4.6280 4.6280 4.7778 4.7778 4.9436 4.9436 5.6368 5.6368 6.3428 6.3428 6.4334 6.4334 6.5960 6.5960 7.0402 7.0402 7.0791 7.0791 7.2951 7.2951 7.4456 7.4456 7.4904 7.4904 7.5886 7.5886 7.8092 7.8092 7.8674 7.8674 8.2542 8.2542 8.3327 8.3327 8.4226 8.4226 8.8599 8.8599 9.0138 9.0138 9.2803 9.2803 9.6752 9.6752 9.8460 9.8460 10.1129 10.1129 10.8461 10.8461 11.5364 11.5364 11.7914 11.7914 12.3027 12.3027 13.2501 13.2501 14.1155 14.1155 14.3396 14.3396 k = 0.3400 0.5658-0.0000 ( 4740 PWs) bands (ev): 2.9240 2.9240 3.5519 3.5519 3.6891 3.6891 4.2619 4.2619 4.6490 4.6490 4.7513 4.7513 4.9150 4.9150 5.6361 5.6361 6.3531 6.3531 6.4291 6.4291 6.5965 6.5965 7.0483 7.0483 7.0750 7.0750 7.2901 7.2901 7.4488 7.4488 7.4881 7.4881 7.5828 7.5828 7.8196 7.8196 7.8577 7.8577 8.2690 8.2690 8.3436 8.3436 8.3938 8.3938 8.8620 8.8620 9.0183 9.0183 9.2759 9.2759 9.6873 9.6873 9.8291 9.8291 10.0964 10.0964 10.8422 10.8422 11.5704 11.5704 11.8037 11.8037 12.2715 12.2715 13.2385 13.2385 14.1107 14.1107 14.3246 14.3246 k = 0.3333 0.5774-0.0000 ( 4746 PWs) bands (ev): 2.9293 2.9293 3.5909 3.5909 3.6475 3.6475 4.2703 4.2703 4.6586 4.6586 4.7395 4.7395 4.9052 4.9052 5.6359 5.6359 6.3563 6.3563 6.4280 6.4280 6.5966 6.5966 7.0530 7.0530 7.0717 7.0717 7.2882 7.2882 7.4502 7.4502 7.4872 7.4872 7.5807 7.5807 7.8254 7.8254 7.8521 7.8521 8.2734 8.2734 8.3601 8.3601 8.3718 8.3718 8.8625 8.8625 9.0199 9.0199 9.2743 9.2743 9.6910 9.6910 9.8239 9.8239 10.0906 10.0906 10.8410 10.8410 11.5819 11.5819 11.8095 11.8095 12.2593 12.2593 13.2341 13.2341 14.1092 14.1092 14.3200 14.3200 k = 0.3333 0.5774-0.0000 ( 4746 PWs) bands (ev): 2.9293 2.9293 3.5909 3.5909 3.6475 3.6475 4.2703 4.2703 4.6586 4.6586 4.7395 4.7395 4.9052 4.9052 5.6359 5.6359 6.3563 6.3563 6.4280 6.4280 6.5966 6.5966 7.0530 7.0530 7.0717 7.0717 7.2882 7.2882 7.4502 7.4502 7.4872 7.4872 7.5807 7.5807 7.8254 7.8254 7.8521 7.8521 8.2734 8.2734 8.3601 8.3601 8.3718 8.3718 8.8625 8.8625 9.0199 9.0199 9.2743 9.2743 9.6910 9.6910 9.8239 9.8239 10.0906 10.0906 10.8410 10.8410 11.5819 11.5819 11.8095 11.8095 12.2593 12.2593 13.2341 13.2341 14.1092 14.1092 14.3200 14.3200 k = 0.3267 0.5658-0.0000 ( 4746 PWs) bands (ev): 2.9227 2.9227 3.5561 3.5561 3.6865 3.6865 4.2610 4.2610 4.6501 4.6501 4.7510 4.7510 4.9147 4.9147 5.6361 5.6361 6.3540 6.3540 6.4283 6.4283 6.5964 6.5964 7.0470 7.0470 7.0763 7.0763 7.2901 7.2901 7.4483 7.4483 7.4882 7.4882 7.5830 7.5830 7.8190 7.8190 7.8584 7.8584 8.2691 8.2691 8.3438 8.3438 8.3935 8.3935 8.8623 8.8623 9.0181 9.0181 9.2761 9.2761 9.6888 9.6888 9.8276 9.8276 10.0965 10.0965 10.8420 10.8420 11.5715 11.5715 11.8012 11.8012 12.2732 12.2732 13.2389 13.2389 14.1106 14.1106 14.3240 14.3240 k = 0.3200 0.5543-0.0000 ( 4754 PWs) bands (ev): 2.9004 2.9004 3.5147 3.5147 3.7432 3.7432 4.2340 4.2340 4.6324 4.6324 4.7786 4.7786 4.9413 4.9413 5.6365 5.6365 6.3488 6.3488 6.4278 6.4278 6.5958 6.5958 7.0340 7.0340 7.0851 7.0851 7.2954 7.2954 7.4421 7.4421 7.4914 7.4914 7.5900 7.5900 7.8063 7.8063 7.8712 7.8712 8.2550 8.2550 8.3335 8.3335 8.4214 8.4214 8.8620 8.8620 9.0127 9.0127 9.2816 9.2816 9.6847 9.6847 9.8362 9.8362 10.1137 10.1137 10.8447 10.8447 11.5440 11.5440 11.7747 11.7747 12.3143 12.3143 13.2540 13.2540 14.1149 14.1149 14.3349 14.3349 k = 0.3133 0.5427-0.0000 ( 4750 PWs) bands (ev): 2.8598 2.8598 3.4872 3.4872 3.7990 3.7990 4.1938 4.1938 4.6105 4.6105 4.8172 4.8172 4.9804 4.9804 5.6372 5.6372 6.3426 6.3426 6.4253 6.4253 6.5944 6.5944 7.0184 7.0184 7.0945 7.0945 7.3027 7.3027 7.4325 7.4325 7.4962 7.4962 7.6011 7.6011 7.7925 7.7925 7.8862 7.8862 8.2325 8.2325 8.3344 8.3344 8.4488 8.4488 8.8625 8.8625 9.0041 9.0041 9.2905 9.2905 9.6816 9.6816 9.8478 9.8478 10.1411 10.1411 10.8485 10.8485 11.5046 11.5046 11.7325 11.7325 12.3768 12.3768 13.2791 13.2791 14.1223 14.1223 14.3508 14.3508 k = 0.3067 0.5312-0.0000 ( 4750 PWs) bands (ev): 2.8011 2.8011 3.4755 3.4755 3.8491 3.8491 4.1484 4.1484 4.5849 4.5849 4.8647 4.8647 5.0279 5.0279 5.6381 5.6381 6.3364 6.3364 6.4204 6.4204 6.5920 6.5920 7.0017 7.0017 7.1035 7.1035 7.3100 7.3100 7.4210 7.4210 7.5021 7.5021 7.6151 7.6151 7.7797 7.7797 7.9023 7.9023 8.2064 8.2064 8.3430 8.3430 8.4751 8.4751 8.8641 8.8641 8.9933 8.9933 9.3023 9.3023 9.6804 9.6804 9.8626 9.8626 10.1772 10.1772 10.8527 10.8527 11.4580 11.4580 11.6796 11.6796 12.4538 12.4538 13.3136 13.3136 14.1333 14.1333 14.3704 14.3704 k = 0.3000 0.5196-0.0000 ( 4756 PWs) bands (ev): 2.7274 2.7274 3.4777 3.4777 3.8841 3.8841 4.1105 4.1105 4.5555 4.5555 4.9190 4.9190 5.0807 5.0807 5.6394 5.6394 6.3307 6.3307 6.4134 6.4134 6.5884 6.5884 6.9849 6.9849 7.1118 7.1118 7.3148 7.3148 7.4094 7.4094 7.5089 7.5089 7.6307 7.6307 7.7695 7.7695 7.9194 7.9194 8.1801 8.1801 8.3565 8.3565 8.4999 8.4999 8.8668 8.8668 8.9815 8.9815 9.3164 9.3164 9.6813 9.6813 9.8813 9.8813 10.2202 10.2202 10.8565 10.8565 11.4080 11.4080 11.6204 11.6204 12.5401 12.5401 13.3562 13.3562 14.1478 14.1478 14.3925 14.3925 k = 0.2933 0.5081-0.0000 ( 4752 PWs) bands (ev): 2.6424 2.6424 3.4905 3.4905 3.8861 3.8861 4.1006 4.1006 4.5224 4.5224 4.9778 4.9778 5.1370 5.1370 5.6413 5.6413 6.3256 6.3256 6.4048 6.4048 6.5837 6.5837 6.9685 6.9685 7.1194 7.1194 7.3144 7.3144 7.3992 7.3992 7.5167 7.5167 7.6467 7.6467 7.7633 7.7633 7.9370 7.9370 8.1557 8.1557 8.3733 8.3733 8.5235 8.5235 8.8701 8.8701 8.9704 8.9704 9.3324 9.3324 9.6844 9.6844 9.9042 9.9042 10.2688 10.2688 10.8589 10.8589 11.3582 11.3582 11.5578 11.5578 12.6326 12.6326 13.4058 13.4058 14.1660 14.1660 14.4165 14.4165 k = 0.2867 0.4965-0.0000 ( 4744 PWs) bands (ev): 2.5496 2.5496 3.5109 3.5109 3.8495 3.8495 4.1257 4.1257 4.4859 4.4859 5.0393 5.0393 5.1955 5.1955 5.6438 5.6438 6.3209 6.3209 6.3952 6.3952 6.5783 6.5783 6.9529 6.9529 7.1262 7.1262 7.3076 7.3076 7.3915 7.3915 7.5254 7.5254 7.6619 7.6619 7.7622 7.7622 7.9540 7.9540 8.1353 8.1353 8.3924 8.3924 8.5460 8.5460 8.8728 8.8728 8.9622 8.9622 9.3498 9.3498 9.6898 9.6898 9.9313 9.9313 10.3220 10.3220 10.8586 10.8586 11.3116 11.3116 11.4944 11.4944 12.7292 12.7292 13.4611 13.4611 14.1878 14.1878 14.4416 14.4416 k = 0.2800 0.4850-0.0000 ( 4752 PWs) bands (ev): 2.4517 2.4517 3.5365 3.5365 3.7916 3.7916 4.1694 4.1694 4.4461 4.4461 5.1017 5.1017 5.2553 5.2553 5.6474 5.6474 6.3162 6.3162 6.3852 6.3852 6.5724 6.5724 6.9381 6.9381 7.1324 7.1324 7.2949 7.2949 7.3858 7.3858 7.5344 7.5344 7.6761 7.6761 7.7663 7.7663 7.9685 7.9685 8.1219 8.1219 8.4126 8.4126 8.5677 8.5677 8.8740 8.8740 8.9592 8.9592 9.3682 9.3682 9.6978 9.6978 9.9623 9.9623 10.3789 10.3789 10.8540 10.8540 11.2715 11.2715 11.4318 11.4318 12.8288 12.8288 13.5211 13.5211 14.2130 14.2130 14.4673 14.4673 k = 0.2733 0.4734-0.0000 ( 4748 PWs) bands (ev): 2.3504 2.3504 3.5655 3.5655 3.7254 3.7254 4.2197 4.2197 4.4033 4.4033 5.1635 5.1635 5.3154 5.3154 5.6524 5.6524 6.3109 6.3109 6.3759 6.3759 6.5668 6.5668 6.9244 6.9244 7.1379 7.1379 7.2785 7.2785 7.3814 7.3814 7.5429 7.5429 7.6896 7.6896 7.7745 7.7745 7.9777 7.9777 8.1186 8.1186 8.4328 8.4328 8.5885 8.5885 8.8745 8.8745 8.9620 8.9620 9.3872 9.3872 9.7087 9.7087 9.9965 9.9965 10.4387 10.4387 10.8439 10.8439 11.2408 11.2408 11.3720 11.3720 12.9304 12.9304 13.5848 13.5848 14.2414 14.2414 14.4930 14.4930 k = 0.2667 0.4619-0.0000 ( 4748 PWs) bands (ev): 2.2473 2.2473 3.5943 3.5943 3.6581 3.6581 4.2714 4.2714 4.3583 4.3583 5.2232 5.2232 5.3750 5.3750 5.6592 5.6592 6.3043 6.3043 6.3677 6.3677 6.5620 6.5620 6.9122 6.9122 7.1430 7.1430 7.2603 7.2603 7.3781 7.3781 7.5499 7.5499 7.7028 7.7028 7.7850 7.7850 7.9811 7.9811 8.1266 8.1266 8.4517 8.4517 8.6079 8.6079 8.8771 8.8771 8.9700 8.9700 9.4062 9.4062 9.7228 9.7228 10.0328 10.0328 10.5003 10.5003 10.8281 10.8281 11.2207 11.2207 11.3170 11.3170 13.0336 13.0336 13.6511 13.6511 14.2729 14.2729 14.5181 14.5181 k = 0.2600 0.4503-0.0000 ( 4756 PWs) bands (ev): 2.1431 2.1431 3.5745 3.5745 3.6394 3.6394 4.3001 4.3001 4.3338 4.3338 5.2795 5.2795 5.4330 5.4330 5.6681 5.6681 6.2961 6.2961 6.3611 6.3611 6.5584 6.5584 6.9018 6.9018 7.1475 7.1475 7.2420 7.2420 7.3761 7.3761 7.5549 7.5549 7.7152 7.7152 7.7968 7.7968 7.9816 7.9816 8.1433 8.1433 8.4679 8.4679 8.6261 8.6261 8.8852 8.8852 8.9817 8.9817 9.4246 9.4246 9.7403 9.7403 10.0705 10.0705 10.5614 10.5614 10.8087 10.8087 11.2089 11.2089 11.2714 11.2714 13.1379 13.1379 13.7194 13.7194 14.3072 14.3072 14.5417 14.5417 k = 0.2533 0.4388-0.0000 ( 4750 PWs) bands (ev): 2.0388 2.0388 3.5048 3.5048 3.6712 3.6712 4.2541 4.2541 4.3811 4.3811 5.3313 5.3313 5.4881 5.4881 5.6794 5.6794 6.2862 6.2862 6.3558 6.3558 6.5566 6.5566 6.8943 6.8943 7.1515 7.1515 7.2248 7.2248 7.3760 7.3760 7.5576 7.5576 7.7253 7.7253 7.8094 7.8094 7.9836 7.9836 8.1643 8.1643 8.4798 8.4798 8.6442 8.6442 8.9009 8.9009 8.9964 8.9964 9.4421 9.4421 9.7613 9.7613 10.1085 10.1085 10.6170 10.6170 10.7924 10.7924 11.1918 11.1918 11.2496 11.2496 13.2428 13.2428 13.7889 13.7889 14.3441 14.3441 14.5631 14.5631 k = 0.2467 0.4272-0.0000 ( 4746 PWs) bands (ev): 1.9347 1.9347 3.4324 3.4324 3.7061 3.7061 4.2014 4.2014 4.4321 4.4321 5.3775 5.3775 5.5390 5.5390 5.6933 5.6933 6.2748 6.2748 6.3513 6.3513 6.5569 6.5569 6.8909 6.8909 7.1542 7.1542 7.2103 7.2103 7.3783 7.3783 7.5580 7.5580 7.7311 7.7311 7.8241 7.8241 7.9895 7.9895 8.1861 8.1861 8.4864 8.4864 8.6644 8.6644 8.9239 8.9239 9.0145 9.0145 9.4584 9.4584 9.7852 9.7852 10.1455 10.1455 10.6537 10.6537 10.7948 10.7948 11.1632 11.1632 11.2582 11.2582 13.3482 13.3482 13.8590 13.8590 14.3833 14.3833 14.5810 14.5810 k = 0.2400 0.4157-0.0000 ( 4738 PWs) bands (ev): 1.8313 1.8313 3.3599 3.3599 3.7413 3.7413 4.1470 4.1470 4.4822 4.4822 5.4176 5.4176 5.5843 5.5843 5.7097 5.7097 6.2620 6.2620 6.3473 6.3473 6.5595 6.5595 6.8927 6.8927 7.1545 7.1545 7.1999 7.1999 7.3836 7.3836 7.5563 7.5563 7.7318 7.7318 7.8418 7.8418 7.9999 7.9999 8.2061 8.2061 8.4879 8.4879 8.6889 8.6889 8.9512 8.9512 9.0374 9.0374 9.4732 9.4732 9.8112 9.8112 10.1803 10.1803 10.6598 10.6598 10.8289 10.8289 11.1382 11.1382 11.2834 11.2834 13.4537 13.4537 13.9289 13.9289 14.4245 14.4245 14.5942 14.5942 k = 0.2333 0.4041-0.0000 ( 4744 PWs) bands (ev): 1.7290 1.7290 3.2878 3.2878 3.7750 3.7750 4.0927 4.0927 4.5310 4.5310 5.4515 5.4515 5.6232 5.6232 5.7280 5.7280 6.2471 6.2471 6.3437 6.3437 6.5646 6.5646 6.9010 6.9010 7.1512 7.1512 7.1952 7.1952 7.3920 7.3920 7.5528 7.5528 7.7285 7.7285 7.8625 7.8625 8.0136 8.0136 8.2229 8.2229 8.4862 8.4862 8.7188 8.7188 8.9784 8.9784 9.0680 9.0680 9.4870 9.4870 9.8376 9.8376 10.2114 10.2114 10.6506 10.6506 10.8795 10.8795 11.1254 11.1254 11.3197 11.3197 13.5590 13.5590 13.9981 13.9981 14.4673 14.4673 14.6015 14.6015 k = 0.2267 0.3926-0.0000 ( 4744 PWs) bands (ev): 1.6280 1.6280 3.2165 3.2165 3.8045 3.8045 4.0414 4.0414 4.5783 4.5783 5.4790 5.4790 5.6553 5.6553 5.7472 5.7472 6.2293 6.2293 6.3411 6.3411 6.5722 6.5722 6.9163 6.9163 7.1451 7.1451 7.1952 7.1952 7.4035 7.4035 7.5480 7.5480 7.7233 7.7233 7.8857 7.8857 8.0285 8.0285 8.2359 8.2359 8.4838 8.4838 8.7542 8.7542 9.0021 9.0021 9.1077 9.1077 9.5001 9.5001 9.8627 9.8627 10.2374 10.2374 10.6425 10.6425 10.9280 10.9280 11.1318 11.1318 11.3656 11.3656 13.6638 13.6638 14.0657 14.0657 14.5112 14.5112 14.6020 14.6020 k = 0.2200 0.3811-0.0000 ( 4746 PWs) bands (ev): 1.5286 1.5286 3.1462 3.1462 3.8224 3.8224 4.0007 4.0007 4.6238 4.6238 5.5006 5.5006 5.6810 5.6810 5.7662 5.7662 6.2079 6.2079 6.3402 6.3402 6.5820 6.5820 6.9378 6.9378 7.1389 7.1389 7.1976 7.1976 7.4175 7.4175 7.5427 7.5427 7.7182 7.7182 7.9103 7.9103 8.0426 8.0426 8.2462 8.2462 8.4827 8.4827 8.7947 8.7947 9.0220 9.0220 9.1550 9.1550 9.5135 9.5135 9.8841 9.8841 10.2575 10.2575 10.6423 10.6423 10.9649 10.9649 11.1632 11.1632 11.4209 11.4209 13.7676 13.7676 14.1304 14.1304 14.5547 14.5547 14.5968 14.5968 k = 0.2133 0.3695-0.0000 ( 4750 PWs) bands (ev): 1.4310 1.4310 3.0771 3.0771 3.8146 3.8146 3.9849 3.9849 4.6674 4.6674 5.5165 5.5165 5.7015 5.7015 5.7837 5.7837 6.1824 6.1824 6.3414 6.3414 6.5937 6.5937 6.9638 6.9638 7.1349 7.1349 7.2006 7.2006 7.4320 7.4320 7.5387 7.5387 7.7151 7.7151 7.9351 7.9351 8.0542 8.0542 8.2559 8.2559 8.4844 8.4844 8.8397 8.8397 9.0396 9.0396 9.2065 9.2065 9.5285 9.5285 9.9001 9.9001 10.2721 10.2721 10.6527 10.6527 10.9917 10.9917 11.2171 11.2171 11.4851 11.4851 13.8700 13.8700 14.1904 14.1904 14.5751 14.5751 14.6095 14.6095 k = 0.2067 0.3580-0.0000 ( 4758 PWs) bands (ev): 1.3353 1.3353 3.0091 3.0091 3.7775 3.7775 3.9978 3.9978 4.7091 4.7091 5.5268 5.5268 5.7180 5.7180 5.7988 5.7988 6.1534 6.1534 6.3451 6.3451 6.6069 6.6069 6.9906 6.9906 7.1356 7.1356 7.2035 7.2035 7.4433 7.4433 7.5389 7.5389 7.7155 7.7155 7.9576 7.9576 8.0637 8.0637 8.2675 8.2675 8.4893 8.4893 8.8884 8.8884 9.0564 9.0564 9.2584 9.2584 9.5469 9.5469 9.9095 9.9095 10.2824 10.2824 10.6737 10.6737 11.0167 11.0167 11.2854 11.2854 11.5579 11.5579 13.9702 13.9702 14.2415 14.2415 14.5632 14.5632 14.6533 14.6533 k = 0.2000 0.3464-0.0000 ( 4748 PWs) bands (ev): 1.2417 1.2417 2.9426 2.9426 3.7248 3.7248 4.0260 4.0260 4.7489 4.7489 5.5317 5.5317 5.7318 5.7318 5.8109 5.8109 6.1215 6.1215 6.3513 6.3513 6.6211 6.6211 7.0131 7.0131 7.1443 7.1443 7.2060 7.2060 7.4478 7.4478 7.5455 7.5455 7.7210 7.7210 7.9732 7.9732 8.0754 8.0754 8.2825 8.2825 8.4977 8.4977 8.9397 8.9397 9.0739 9.0739 9.3068 9.3068 9.5709 9.5709 9.9129 9.9129 10.2902 10.2902 10.7037 10.7037 11.0458 11.0458 11.3626 11.3626 11.6388 11.6388 14.0674 14.0674 14.2764 14.2764 14.5551 14.5551 14.7002 14.7002 k = 0.1933 0.3349-0.0000 ( 4752 PWs) bands (ev): 1.1502 1.1502 2.8774 2.8774 3.6658 3.6658 4.0603 4.0603 4.7865 4.7865 5.5315 5.5315 5.7436 5.7436 5.8200 5.8200 6.0878 6.0878 6.3599 6.3599 6.6355 6.6355 7.0272 7.0272 7.1630 7.1630 7.2081 7.2081 7.4453 7.4453 7.5568 7.5568 7.7329 7.7329 7.9773 7.9773 8.0947 8.0947 8.3009 8.3009 8.5100 8.5100 8.9912 8.9912 9.0946 9.0946 9.3475 9.3475 9.6020 9.6020 9.9132 9.9132 10.2965 10.2965 10.7409 10.7409 11.0817 11.0817 11.4461 11.4461 11.7269 11.7269 14.1598 14.1598 14.2857 14.2857 14.5640 14.5640 14.7485 14.7485 k = 0.1867 0.3233-0.0000 ( 4752 PWs) bands (ev): 1.0612 1.0612 2.8139 2.8139 3.6043 3.6043 4.0972 4.0972 4.8219 4.8219 5.5265 5.5265 5.7535 5.7535 5.8265 5.8265 6.0536 6.0536 6.3706 6.3706 6.6497 6.6497 7.0330 7.0330 7.1887 7.1887 7.2103 7.2103 7.4393 7.4393 7.5681 7.5681 7.7513 7.7513 7.9715 7.9715 8.1224 8.1224 8.3221 8.3221 8.5267 8.5267 9.0372 9.0372 9.1245 9.1245 9.3785 9.3785 9.6380 9.6380 9.9161 9.9161 10.3018 10.3018 10.7836 10.7836 11.1252 11.1252 11.5353 11.5353 11.8212 11.8212 14.2359 14.2359 14.2766 14.2766 14.5935 14.5935 14.7981 14.7981 k = 0.1800 0.3118-0.0000 ( 4744 PWs) bands (ev): 0.9745 0.9745 2.7519 2.7519 3.5418 3.5418 4.1354 4.1354 4.8551 4.8551 5.5175 5.5175 5.7606 5.7606 5.8312 5.8312 6.0203 6.0203 6.3832 6.3832 6.6632 6.6632 7.0338 7.0338 7.2071 7.2071 7.2213 7.2213 7.4332 7.4332 7.5765 7.5765 7.7742 7.7742 7.9617 7.9617 8.1547 8.1547 8.3452 8.3452 8.5485 8.5485 9.0700 9.0700 9.1709 9.1709 9.4008 9.4008 9.6707 9.6707 9.9306 9.9306 10.3063 10.3063 10.8305 10.8305 11.1762 11.1762 11.6298 11.6298 11.9210 11.9210 14.2154 14.2154 14.3355 14.3355 14.6369 14.6369 14.8492 14.8492 k = 0.1733 0.3002-0.0000 ( 4744 PWs) bands (ev): 0.8904 0.8904 2.6916 2.6916 3.4793 3.4793 4.1741 4.1741 4.8859 4.8859 5.5052 5.5052 5.7631 5.7631 5.8351 5.8351 5.9895 5.9895 6.3976 6.3976 6.6755 6.6755 7.0321 7.0321 7.2096 7.2096 7.2447 7.2447 7.4301 7.4301 7.5812 7.5812 7.7972 7.7972 7.9542 7.9542 8.1881 8.1881 8.3699 8.3699 8.5758 8.5758 9.0914 9.0914 9.2306 9.2306 9.4181 9.4181 9.6898 9.6898 9.9661 9.9661 10.3107 10.3107 10.8807 10.8807 11.2342 11.2342 11.7295 11.7295 12.0256 12.0256 14.1612 14.1612 14.4058 14.4058 14.6853 14.6853 14.9010 14.9010 k = 0.1667 0.2887-0.0000 ( 4752 PWs) bands (ev): 0.8089 0.8089 2.6331 2.6331 3.4172 3.4172 4.2130 4.2130 4.9143 4.9143 5.4902 5.4902 5.7595 5.7595 5.8385 5.8385 5.9634 5.9634 6.4134 6.4134 6.6865 6.6865 7.0295 7.0295 7.2106 7.2106 7.2622 7.2622 7.4319 7.4319 7.5829 7.5829 7.8146 7.8146 7.9554 7.9554 8.2201 8.2201 8.3961 8.3961 8.6088 8.6088 9.1074 9.1074 9.2934 9.2934 9.4370 9.4370 9.6929 9.6929 10.0231 10.0231 10.3165 10.3165 10.9336 10.9336 11.2985 11.2985 11.8340 11.8340 12.1342 12.1342 14.0979 14.0979 14.4666 14.4666 14.7311 14.7311 14.9482 14.9482 k = 0.1600 0.2771-0.0000 ( 4744 PWs) bands (ev): 0.7301 0.7301 2.5764 2.5764 3.3560 3.3560 4.2518 4.2518 4.9402 4.9402 5.4735 5.4735 5.7494 5.7494 5.8397 5.8397 5.9446 5.9446 6.4303 6.4303 6.6957 6.6957 7.0269 7.0269 7.2114 7.2114 7.2711 7.2711 7.4390 7.4390 7.5821 7.5821 7.8230 7.8230 7.9687 7.9687 8.2494 8.2494 8.4237 8.4237 8.6472 8.6472 9.1208 9.1208 9.3434 9.3434 9.4712 9.4712 9.6868 9.6868 10.0916 10.0916 10.3277 10.3277 10.9888 10.9888 11.3685 11.3685 11.9427 11.9427 12.2464 12.2464 14.0293 14.0293 14.5160 14.5160 14.7602 14.7603 14.9735 14.9735 k = 0.1533 0.2656-0.0000 ( 4738 PWs) bands (ev): 0.6541 0.6541 2.5215 2.5215 3.2959 3.2959 4.2905 4.2905 4.9634 4.9634 5.4555 5.4555 5.7334 5.7334 5.8364 5.8364 5.9354 5.9354 6.4479 6.4479 6.7031 6.7031 7.0248 7.0248 7.2118 7.2118 7.2730 7.2730 7.4489 7.4489 7.5793 7.5793 7.8252 7.8252 7.9919 7.9919 8.2760 8.2760 8.4520 8.4520 8.6898 8.6898 9.1327 9.1327 9.3668 9.3668 9.5293 9.5293 9.6826 9.6826 10.1556 10.1556 10.3545 10.3545 11.0464 11.0464 11.4433 11.4433 12.0549 12.0549 12.3619 12.3619 13.9574 13.9574 14.5539 14.5539 14.7455 14.7455 14.9548 14.9548 k = 0.1467 0.2540-0.0000 ( 4746 PWs) bands (ev): 0.5809 0.5809 2.4686 2.4686 3.2372 3.2372 4.3287 4.3287 4.9839 4.9839 5.4370 5.4370 5.7130 5.7130 5.8280 5.8280 5.9352 5.9352 6.4660 6.4660 6.7086 6.7086 7.0235 7.0235 7.2114 7.2114 7.2712 7.2712 7.4579 7.4579 7.5752 7.5752 7.8260 7.8260 8.0204 8.0204 8.3009 8.3009 8.4801 8.4801 8.7352 8.7352 9.1434 9.1434 9.3720 9.3720 9.5818 9.5818 9.7059 9.7059 10.1967 10.1967 10.4118 10.4118 11.1064 11.1064 11.5224 11.5224 12.1696 12.1696 12.4801 12.4801 13.8835 13.8835 14.5804 14.5804 14.6820 14.6820 14.9029 14.9029 k = 0.1400 0.2425-0.0000 ( 4742 PWs) bands (ev): 0.5106 0.5106 2.4177 2.4177 3.1800 3.1800 4.3664 4.3664 5.0014 5.0014 5.4184 5.4184 5.6899 5.6899 5.8164 5.8164 5.9410 5.9410 6.4841 6.4841 6.7123 6.7123 7.0231 7.0231 7.2092 7.2092 7.2691 7.2691 7.4631 7.4631 7.5707 7.5707 7.8287 7.8287 8.0506 8.0506 8.3253 8.3253 8.5074 8.5074 8.7816 8.7816 9.1530 9.1530 9.3685 9.3685 9.5937 9.5937 9.7837 9.7837 10.2131 10.2131 10.4998 10.4998 11.1690 11.1690 11.6050 11.6050 12.2860 12.2860 12.6009 12.6009 13.8086 13.8086 14.5807 14.5807 14.6118 14.6118 14.8376 14.8376 k = 0.1333 0.2309-0.0000 ( 4736 PWs) bands (ev): 0.4432 0.4432 2.3688 2.3688 3.1247 3.1247 4.4034 4.4034 5.0159 5.0159 5.4002 5.4002 5.6655 5.6655 5.8035 5.8035 5.9494 5.9494 6.5019 6.5019 6.7141 6.7141 7.0239 7.0239 7.2043 7.2043 7.2693 7.2693 7.4626 7.4626 7.5669 7.5669 7.8344 7.8344 8.0806 8.0806 8.3506 8.3506 8.5336 8.5336 8.8274 8.8274 9.1616 9.1616 9.3607 9.3607 9.5867 9.5867 9.8902 9.8902 10.2171 10.2171 10.6063 10.6063 11.2343 11.2343 11.6905 11.6905 12.4028 12.4028 12.7236 12.7236 13.7337 13.7337 14.4954 14.4954 14.6081 14.6081 14.7723 14.7723 k = 0.1267 0.2194-0.0000 ( 4736 PWs) bands (ev): 0.3788 0.3788 2.3220 2.3220 3.0712 3.0712 4.4397 4.4397 5.0272 5.0272 5.3830 5.3830 5.6410 5.6410 5.7905 5.7905 5.9587 5.9587 6.5188 6.5188 6.7142 6.7142 7.0259 7.0259 7.1967 7.1967 7.2729 7.2729 7.4564 7.4564 7.5648 7.5648 7.8426 7.8426 8.1094 8.1094 8.3775 8.3775 8.5584 8.5584 8.8713 8.8713 9.1689 9.1689 9.3505 9.3505 9.5761 9.5761 10.0034 10.0034 10.2212 10.2212 10.7234 10.7234 11.3027 11.3027 11.7783 11.7783 12.5189 12.5189 12.8478 12.8478 13.6594 13.6594 14.3993 14.3993 14.5942 14.5942 14.7197 14.7197 k = 0.1200 0.2078-0.0000 ( 4740 PWs) bands (ev): 0.3175 0.3175 2.2773 2.2773 3.0198 3.0198 4.4749 4.4749 5.0353 5.0353 5.3670 5.3670 5.6172 5.6172 5.7777 5.7777 5.9677 5.9677 6.5347 6.5347 6.7128 6.7128 7.0291 7.0291 7.1871 7.1871 7.2797 7.2797 7.4453 7.4453 7.5647 7.5647 7.8526 7.8526 8.1365 8.1365 8.4061 8.4061 8.5822 8.5822 8.9124 8.9124 9.1748 9.1748 9.3396 9.3396 9.5655 9.5655 10.0952 10.0952 10.2514 10.2514 10.8476 10.8476 11.3742 11.3742 11.8678 11.8678 12.6331 12.6331 12.9726 12.9726 13.5865 13.5865 14.3031 14.3031 14.5525 14.5525 14.6923 14.6923 k = 0.1133 0.1963-0.0000 ( 4730 PWs) bands (ev): 0.2593 0.2593 2.2348 2.2348 2.9706 2.9706 4.5090 4.5090 5.0402 5.0402 5.3527 5.3527 5.5948 5.5948 5.7654 5.7654 5.9758 5.9758 6.5491 6.5491 6.7099 6.7099 7.0334 7.0334 7.1765 7.1765 7.2890 7.2890 7.4312 7.4312 7.5662 7.5662 7.8636 7.8636 8.1615 8.1615 8.4360 8.4360 8.6055 8.6055 8.9501 8.9501 9.1788 9.1788 9.3295 9.3295 9.5559 9.5559 10.1249 10.1249 10.3478 10.3478 10.9770 10.9770 11.4491 11.4491 11.9583 11.9583 12.7444 12.7444 13.0968 13.0968 13.5158 13.5158 14.2088 14.2088 14.4916 14.4916 14.6833 14.6833 k = 0.1067 0.1848-0.0000 ( 4738 PWs) bands (ev): 0.2042 0.2042 2.1945 2.1945 2.9237 2.9237 4.5418 4.5418 5.0421 5.0421 5.3402 5.3402 5.5740 5.5740 5.7537 5.7537 5.9827 5.9827 6.5618 6.5618 6.7059 6.7059 7.0385 7.0385 7.1657 7.1657 7.3003 7.3003 7.4154 7.4154 7.5693 7.5693 7.8749 7.8749 8.1844 8.1844 8.4660 8.4660 8.6288 8.6288 8.9837 8.9837 9.1810 9.1810 9.3214 9.3214 9.5473 9.5473 10.1192 10.1192 10.4827 10.4827 11.1108 11.1108 11.5275 11.5275 12.0490 12.0490 12.8511 12.8511 13.2186 13.2186 13.4484 13.4484 14.1175 14.1175 14.4248 14.4248 14.6810 14.6810 k = 0.1000 0.1732-0.0000 ( 4736 PWs) bands (ev): 0.1522 0.1522 2.1565 2.1565 2.8792 2.8792 4.5730 4.5730 5.0411 5.0411 5.3297 5.3297 5.5551 5.5551 5.7426 5.7426 5.9881 5.9881 6.5727 6.5727 6.7007 6.7007 7.0441 7.0441 7.1551 7.1551 7.3129 7.3129 7.3995 7.3995 7.5738 7.5738 7.8863 7.8863 8.2054 8.2054 8.4946 8.4946 8.6529 8.6529 9.0132 9.0132 9.1813 9.1813 9.3163 9.3163 9.5396 9.5396 10.1029 10.1029 10.6306 10.6306 11.2482 11.2482 11.6095 11.6095 12.1393 12.1393 12.9513 12.9513 13.3338 13.3338 13.3880 13.3880 14.0306 14.0306 14.3575 14.3575 14.6814 14.6814 k = 0.0933 0.1617-0.0000 ( 4732 PWs) bands (ev): 0.1035 0.1035 2.1208 2.1208 2.8371 2.8371 4.6024 4.6024 5.0378 5.0378 5.3212 5.3212 5.5380 5.5380 5.7324 5.7324 5.9920 5.9920 6.5818 6.5818 6.6947 6.6947 7.0497 7.0497 7.1454 7.1454 7.3256 7.3256 7.3852 7.3852 7.5796 7.5796 7.8975 7.8975 8.2246 8.2246 8.5200 8.5200 8.6786 8.6786 9.0384 9.0384 9.1805 9.1805 9.3146 9.3146 9.5325 9.5325 10.0821 10.0821 10.7845 10.7845 11.3887 11.3887 11.6952 11.6952 12.2281 12.2281 13.0403 13.0403 13.3288 13.3288 13.4493 13.4493 13.9492 13.9492 14.2921 14.2921 14.6835 14.6835 k = 0.0867 0.1501-0.0000 ( 4732 PWs) bands (ev): 0.0580 0.0580 2.0873 2.0873 2.7977 2.7977 4.6298 4.6298 5.0327 5.0327 5.3145 5.3145 5.5229 5.5229 5.7229 5.7229 5.9944 5.9944 6.5892 6.5892 6.6881 6.6881 7.0545 7.0545 7.1368 7.1368 7.3343 7.3343 7.3768 7.3768 7.5867 7.5867 7.9087 7.9087 8.2424 8.2424 8.5409 8.5409 8.7058 8.7058 9.0595 9.0595 9.1796 9.1796 9.3160 9.3160 9.5260 9.5260 10.0587 10.0587 10.9416 10.9416 11.5315 11.5315 11.7846 11.7846 12.3146 12.3146 13.1055 13.1055 13.2954 13.2954 13.5483 13.5483 13.8753 13.8753 14.2300 14.2300 14.6870 14.6870 k = 0.0800 0.1386-0.0000 ( 4732 PWs) bands (ev): 0.0157 0.0157 2.0562 2.0562 2.7609 2.7609 4.6549 4.6549 5.0265 5.0265 5.3096 5.3096 5.5095 5.5095 5.7143 5.7143 5.9953 5.9953 6.5951 6.5951 6.6810 6.6810 7.0580 7.0580 7.1296 7.1296 7.3320 7.3320 7.3816 7.3816 7.5949 7.5949 7.9197 7.9197 8.2589 8.2589 8.5569 8.5569 8.7336 8.7336 9.0771 9.0771 9.1798 9.1798 9.3198 9.3198 9.5199 9.5199 10.0337 10.0337 11.1000 11.1000 11.6760 11.6760 11.8782 11.8782 12.3977 12.3977 13.1208 13.1208 13.3061 13.3061 13.6320 13.6320 13.8124 13.8124 14.1723 14.1723 14.6915 14.6915 k = 0.0733 0.1270-0.0000 ( 4730 PWs) bands (ev): -0.0233 -0.0233 2.0275 2.0275 2.7269 2.7269 4.6774 4.6774 5.0197 5.0197 5.3064 5.3064 5.4977 5.4977 5.7067 5.7067 5.9947 5.9947 6.5995 6.5995 6.6737 6.6737 7.0598 7.0598 7.1242 7.1242 7.3218 7.3218 7.3963 7.3963 7.6041 7.6041 7.9308 7.9308 8.2746 8.2746 8.5681 8.5681 8.7604 8.7604 9.0923 9.0923 9.1815 9.1815 9.3252 9.3252 9.5142 9.5142 10.0078 10.0078 11.2583 11.2583 11.8205 11.8205 11.9766 11.9766 12.4763 12.4763 13.0948 13.0948 13.3491 13.3491 13.6876 13.6876 13.7720 13.7720 14.1208 14.1208 14.6954 14.6954 k = 0.0667 0.1155-0.0000 ( 4728 PWs) bands (ev): -0.0589 -0.0589 2.0012 2.0012 2.6956 2.6956 4.6972 4.6972 5.0130 5.0130 5.3046 5.3046 5.4875 5.4875 5.6998 5.6998 5.9930 5.9930 6.6028 6.6028 6.6664 6.6664 7.0595 7.0595 7.1205 7.1205 7.3098 7.3098 7.4143 7.4143 7.6141 7.6141 7.9419 7.9419 8.2897 8.2897 8.5750 8.5750 8.7844 8.7844 9.1068 9.1068 9.1847 9.1847 9.3317 9.3317 9.5090 9.5090 9.9815 9.9815 11.4149 11.4149 11.9624 11.9624 12.0816 12.0816 12.5495 12.5495 13.0583 13.0583 13.3883 13.3883 13.6909 13.6909 13.7804 13.7804 14.0772 14.0772 14.6964 14.6964 k = 0.0600 0.1039-0.0000 ( 4736 PWs) bands (ev): -0.0912 -0.0912 1.9774 1.9774 2.6671 2.6671 4.7142 4.7142 5.0067 5.0067 5.3041 5.3041 5.4785 5.4785 5.6939 5.6939 5.9902 5.9902 6.6050 6.6050 6.6593 6.6593 7.0576 7.0576 7.1183 7.1183 7.2980 7.2980 7.4331 7.4331 7.6249 7.6249 7.9529 7.9529 8.3046 8.3046 8.5780 8.5780 8.8041 8.8041 9.1222 9.1222 9.1889 9.1889 9.3385 9.3385 9.5043 9.5043 9.9553 9.9553 11.5681 11.5681 12.0964 12.0964 12.1966 12.1966 12.6163 12.6163 13.0241 13.0241 13.4063 13.4063 13.6770 13.6770 13.8046 13.8046 14.0425 14.0425 14.6912 14.6912 k = 0.0533 0.0924-0.0000 ( 4728 PWs) bands (ev): -0.1202 -0.1202 1.9560 1.9560 2.6415 2.6415 4.7282 4.7282 5.0012 5.0012 5.3049 5.3049 5.4706 5.4706 5.6887 5.6887 5.9866 5.9866 6.6064 6.6064 6.6528 6.6528 7.0545 7.0545 7.1171 7.1171 7.2872 7.2872 7.4515 7.4515 7.6360 7.6360 7.9637 7.9637 8.3197 8.3197 8.5776 8.5776 8.8187 8.8187 9.1393 9.1393 9.1936 9.1936 9.3453 9.3453 9.5005 9.5005 9.9296 9.9296 11.7159 11.7159 12.2184 12.2184 12.3233 12.3233 12.6765 12.6765 12.9971 12.9971 13.4021 13.4021 13.6646 13.6646 13.8243 13.8243 14.0146 14.0146 14.6775 14.6775 k = 0.0467 0.0808-0.0000 ( 4743 PWs) bands (ev): -0.1458 -0.1458 1.9370 1.9370 2.6189 2.6189 4.7394 4.7394 4.9967 4.9967 5.3068 5.3068 5.4637 5.4637 5.6843 5.6843 5.9825 5.9825 6.6070 6.6070 6.6469 6.6469 7.0509 7.0509 7.1164 7.1164 7.2775 7.2775 7.4688 7.4688 7.6474 7.6474 7.9739 7.9739 8.3354 8.3354 8.5739 8.5739 8.8285 8.8285 9.1576 9.1576 9.1985 9.1985 9.3516 9.3516 9.4977 9.4977 9.9050 9.9050 11.8559 11.8559 12.3301 12.3301 12.4549 12.4549 12.7319 12.7319 12.9813 12.9813 13.3850 13.3850 13.6421 13.6421 13.8436 13.8436 13.9882 13.9882 14.6558 14.6558 k = 0.0400 0.0693-0.0000 ( 4739 PWs) bands (ev): -0.1680 -0.1680 1.9206 1.9206 2.5992 2.5992 4.7481 4.7481 4.9932 4.9932 5.3095 5.3095 5.4578 5.4578 5.6806 5.6806 5.9781 5.9781 6.6068 6.6068 6.6420 6.6420 7.0472 7.0472 7.1159 7.1159 7.2691 7.2691 7.4841 7.4841 7.6586 7.6586 7.9835 7.9835 8.3519 8.3519 8.5672 8.5672 8.8341 8.8341 9.1756 9.1756 9.2038 9.2038 9.3573 9.3573 9.4961 9.4961 9.8818 9.8818 11.9849 11.9849 12.4351 12.4351 12.5778 12.5778 12.7889 12.7889 12.9800 12.9800 13.3643 13.3643 13.6048 13.6048 13.8591 13.8591 13.9595 13.9595 14.6287 14.6287 k = 0.0333 0.0577-0.0000 ( 4743 PWs) bands (ev): -0.1869 -0.1869 1.9066 1.9066 2.5825 2.5825 4.7544 4.7544 4.9906 4.9906 5.3127 5.3127 5.4526 5.4526 5.6776 5.6776 5.9737 5.9737 6.6061 6.6061 6.6381 6.6381 7.0437 7.0437 7.1156 7.1156 7.2620 7.2620 7.4973 7.4973 7.6693 7.6693 7.9919 7.9919 8.3696 8.3696 8.5576 8.5576 8.8368 8.8368 9.1903 9.1903 9.2112 9.2112 9.3623 9.3623 9.4959 9.4959 9.8606 9.8606 12.0987 12.0987 12.5325 12.5325 12.6768 12.6768 12.8583 12.8583 12.9983 12.9983 13.3454 13.3454 13.5557 13.5557 13.8561 13.8561 13.9332 13.9332 14.5659 14.5659 k = 0.0267 0.0462-0.0000 ( 4753 PWs) bands (ev): -0.2023 -0.2023 1.8952 1.8952 2.5687 2.5687 4.7589 4.7589 4.9888 4.9888 5.3162 5.3162 5.4483 5.4483 5.6751 5.6751 5.9697 5.9697 6.6049 6.6049 6.6352 6.6352 7.0406 7.0406 7.1153 7.1153 7.2562 7.2562 7.5081 7.5081 7.6790 7.6790 7.9991 7.9991 8.3885 8.3885 8.5452 8.5452 8.8375 8.8375 9.1988 9.1988 9.2219 9.2219 9.3665 9.3665 9.4970 9.4970 9.8418 9.8418 12.1928 12.1928 12.6165 12.6165 12.7537 12.7537 12.9278 12.9278 13.0510 13.0510 13.3306 13.3306 13.4987 13.4987 13.8196 13.8196 13.9188 13.9188 14.4730 14.4730 k = 0.0200 0.0346-0.0000 ( 4761 PWs) bands (ev): -0.2143 -0.2143 1.8863 1.8863 2.5580 2.5580 4.7619 4.7619 4.9876 4.9876 5.3195 5.3195 5.4449 5.4449 5.6732 5.6732 5.9662 5.9662 6.6036 6.6036 6.6332 6.6332 7.0381 7.0381 7.1150 7.1150 7.2517 7.2517 7.5165 7.5165 7.6872 7.6872 8.0047 8.0047 8.4085 8.4085 8.5302 8.5302 8.8372 8.8372 9.2030 9.2030 9.2332 9.2332 9.3699 9.3699 9.4991 9.4991 9.8261 9.8261 12.2636 12.2636 12.6795 12.6795 12.8287 12.8287 12.9731 12.9731 13.1429 13.1429 13.3205 13.3205 13.4376 13.4376 13.7622 13.7622 13.9050 13.9050 14.3888 14.3888 k = 0.0133 0.0231-0.0000 ( 4767 PWs) bands (ev): -0.2228 -0.2228 1.8799 1.8799 2.5504 2.5504 4.7637 4.7637 4.9869 4.9869 5.3222 5.3222 5.4423 5.4423 5.6719 5.6719 5.9635 5.9635 6.6025 6.6025 6.6320 6.6320 7.0363 7.0363 7.1148 7.1148 7.2485 7.2485 7.5223 7.5223 7.6934 7.6934 8.0088 8.0088 8.4292 8.4292 8.5131 8.5131 8.8366 8.8366 9.2053 9.2053 9.2420 9.2420 9.3724 9.3724 9.5015 9.5015 9.8142 9.8142 12.3104 12.3104 12.7220 12.7220 12.9044 12.9044 13.0073 13.0073 13.2410 13.2410 13.3125 13.3125 13.3797 13.3797 13.7012 13.7012 13.8836 13.8836 14.3214 14.3214 k = 0.0067 0.0115-0.0000 ( 4789 PWs) bands (ev): -0.2280 -0.2280 1.8761 1.8761 2.5458 2.5458 4.7647 4.7647 4.9865 4.9865 5.3239 5.3239 5.4407 5.4407 5.6711 5.6711 5.9618 5.9618 6.6017 6.6017 6.6313 6.6313 7.0351 7.0351 7.1146 7.1146 7.2466 7.2466 7.5258 7.5258 7.6973 7.6973 8.0113 8.0113 8.4499 8.4499 8.4947 8.4947 8.8360 8.8360 9.2065 9.2065 9.2474 9.2474 9.3740 9.3740 9.5033 9.5033 9.8067 9.8067 12.3361 12.3361 12.7473 12.7473 12.9621 12.9621 13.0403 13.0403 13.2866 13.2866 13.3227 13.3227 13.3456 13.3456 13.6527 13.6527 13.8593 13.8593 14.2778 14.2778 k = 0.0000 0.0000 0.0000 ( 4785 PWs) bands (ev): -0.2297 -0.2297 1.8748 1.8748 2.5443 2.5443 4.7650 4.7650 4.9864 4.9864 5.3245 5.3245 5.4402 5.4402 5.6708 5.6708 5.9613 5.9613 6.6014 6.6014 6.6311 6.6311 7.0348 7.0348 7.1146 7.1146 7.2460 7.2460 7.5270 7.5270 7.6986 7.6986 8.0121 8.0121 8.4645 8.4645 8.4808 8.4808 8.8358 8.8358 9.2069 9.2069 9.2493 9.2493 9.3746 9.3746 9.5041 9.5041 9.8041 9.8041 12.3442 12.3442 12.7559 12.7559 12.9823 12.9823 13.0592 13.0592 13.2696 13.2696 13.3398 13.3398 13.3508 13.3508 13.6336 13.6336 13.8477 13.8477 14.2629 14.2629 k = 0.0000 0.0000 0.0000 ( 4785 PWs) bands (ev): -0.2297 -0.2297 1.8748 1.8748 2.5443 2.5443 4.7650 4.7650 4.9864 4.9864 5.3245 5.3245 5.4402 5.4402 5.6708 5.6708 5.9613 5.9613 6.6014 6.6014 6.6311 6.6311 7.0348 7.0348 7.1146 7.1146 7.2460 7.2460 7.5270 7.5270 7.6986 7.6986 8.0121 8.0121 8.4645 8.4645 8.4808 8.4808 8.8358 8.8358 9.2069 9.2069 9.2493 9.2493 9.3746 9.3746 9.5041 9.5041 9.8041 9.8041 12.3442 12.3442 12.7559 12.7559 12.9823 12.9823 13.0592 13.0592 13.2696 13.2696 13.3398 13.3398 13.3508 13.3508 13.6336 13.6336 13.8477 13.8477 14.2629 14.2629 k = 0.0000 0.0000 0.0127 ( 4785 PWs) bands (ev): -0.2295 -0.2295 1.8697 1.8697 2.5516 2.5516 4.7650 4.7650 4.9842 4.9842 5.3215 5.3215 5.4402 5.4402 5.6710 5.6710 5.9616 5.9616 6.6014 6.6014 6.6313 6.6313 7.0348 7.0348 7.1143 7.1143 7.2462 7.2462 7.5265 7.5265 7.6986 7.6986 8.0134 8.0134 8.4643 8.4643 8.4804 8.4804 8.8353 8.8353 9.2069 9.2069 9.2476 9.2476 9.3811 9.3811 9.5043 9.5043 9.8065 9.8065 12.3423 12.3423 12.7539 12.7539 12.9833 12.9833 13.0581 13.0581 13.2552 13.2552 13.3480 13.3480 13.3505 13.3505 13.6328 13.6328 13.8467 13.8467 14.2630 14.2630 k = 0.0000 0.0000 0.0254 ( 4797 PWs) bands (ev): -0.2288 -0.2288 1.8552 1.8552 2.5728 2.5728 4.7650 4.7650 4.9774 4.9774 5.3126 5.3126 5.4403 5.4403 5.6715 5.6715 5.9625 5.9625 6.6014 6.6014 6.6318 6.6318 7.0349 7.0349 7.1137 7.1137 7.2468 7.2468 7.5251 7.5251 7.6985 7.6985 8.0174 8.0174 8.4636 8.4636 8.4792 8.4792 8.8341 8.8341 9.2069 9.2069 9.2436 9.2436 9.3991 9.3991 9.5052 9.5052 9.8140 9.8140 12.3364 12.3364 12.7479 12.7479 12.9863 12.9863 13.0545 13.0545 13.2219 13.2219 13.3495 13.3495 13.3637 13.3637 13.6304 13.6304 13.8437 13.8437 14.2634 14.2634 k = 0.0000 0.0000 0.0381 ( 4798 PWs) bands (ev): -0.2276 -0.2276 1.8331 1.8331 2.6060 2.6060 4.7649 4.7649 4.9657 4.9657 5.2991 5.2991 5.4404 5.4404 5.6723 5.6723 5.9639 5.9639 6.6015 6.6015 6.6327 6.6327 7.0350 7.0350 7.1127 7.1127 7.2478 7.2478 7.5227 7.5227 7.6983 7.6983 8.0235 8.0235 8.4625 8.4625 8.4773 8.4773 8.8324 8.8324 9.2069 9.2069 9.2390 9.2390 9.4257 9.4257 9.5066 9.5066 9.8274 9.8274 12.3259 12.3259 12.7374 12.7374 12.9913 12.9913 13.0476 13.0476 13.1798 13.1798 13.3479 13.3479 13.3801 13.3801 13.6264 13.6264 13.8389 13.8389 14.2641 14.2641 k = 0.0000 0.0000 0.0508 ( 4732 PWs) bands (ev): -0.2261 -0.2261 1.8057 1.8057 2.6486 2.6486 4.7649 4.7649 4.9485 4.9485 5.2825 5.2825 5.4405 5.4405 5.6732 5.6732 5.9656 5.9656 6.6016 6.6016 6.6338 6.6338 7.0352 7.0352 7.1114 7.1114 7.2490 7.2490 7.5196 7.5196 7.6981 7.6981 8.0315 8.0315 8.4610 8.4610 8.4747 8.4747 8.8305 8.8305 9.2070 9.2070 9.2348 9.2348 9.4576 9.4576 9.5084 9.5084 9.8481 9.8481 12.3093 12.3093 12.7219 12.7219 12.9982 12.9982 13.0356 13.0356 13.1361 13.1361 13.3456 13.3456 13.3962 13.3962 13.6211 13.6211 13.8325 13.8325 14.2650 14.2650 k = 0.0000 0.0000 0.0635 ( 4720 PWs) bands (ev): -0.2242 -0.2242 1.7753 1.7753 2.6982 2.6982 4.7648 4.7648 4.9250 4.9250 5.2646 5.2646 5.4406 5.4406 5.6742 5.6742 5.9676 5.9676 6.6017 6.6017 6.6352 6.6352 7.0354 7.0354 7.1101 7.1101 7.2505 7.2505 7.5158 7.5158 7.6979 7.6979 8.0408 8.0408 8.4592 8.4592 8.4713 8.4713 8.8289 8.8289 9.2071 9.2071 9.2316 9.2316 9.4914 9.4914 9.5106 9.5106 9.8779 9.8779 12.2846 12.2846 12.7008 12.7008 13.0068 13.0068 13.0143 13.0143 13.0998 13.0998 13.3426 13.3426 13.4119 13.4119 13.6144 13.6144 13.8245 13.8245 14.2660 14.2660 k = 0.0000 0.0000 0.0762 ( 4720 PWs) bands (ev): -0.2220 -0.2220 1.7436 1.7436 2.7527 2.7527 4.7647 4.7647 4.8952 4.8952 5.2472 5.2472 5.4408 5.4408 5.6752 5.6752 5.9696 5.9696 6.6018 6.6018 6.6367 6.6367 7.0356 7.0356 7.1088 7.1088 7.2520 7.2520 7.5115 7.5115 7.6976 7.6976 8.0507 8.0507 8.4571 8.4571 8.4674 8.4674 8.8279 8.8279 9.2072 9.2072 9.2293 9.2293 9.5130 9.5130 9.5241 9.5241 9.9188 9.9188 12.2489 12.2489 12.6745 12.6745 12.9830 12.9830 13.0172 13.0172 13.0768 13.0768 13.3387 13.3387 13.4275 13.4275 13.6067 13.6067 13.8153 13.8153 14.2672 14.2672 k = 0.0000 0.0000 0.0890 ( 4714 PWs) bands (ev): -0.2196 -0.2196 1.7121 1.7121 2.8102 2.8102 4.7646 4.7646 4.8591 4.8591 5.2314 5.2314 5.4410 5.4410 5.6762 5.6762 5.9715 5.9715 6.6019 6.6019 6.6383 6.6383 7.0359 7.0359 7.1076 7.1076 7.2536 7.2536 7.5069 7.5069 7.6973 7.6973 8.0608 8.0608 8.4548 8.4548 8.4631 8.4631 8.8274 8.8274 9.2074 9.2074 9.2279 9.2279 9.5157 9.5157 9.5530 9.5530 9.9723 9.9723 12.1991 12.1991 12.6451 12.6451 12.9496 12.9496 13.0291 13.0291 13.0630 13.0630 13.3340 13.3340 13.4429 13.4429 13.5981 13.5981 13.8052 13.8052 14.2685 14.2685 k = 0.0000 0.0000 0.1017 ( 4714 PWs) bands (ev): -0.2172 -0.2172 1.6819 1.6819 2.8691 2.8691 4.7645 4.7645 4.8179 4.8179 5.2179 5.2179 5.4411 5.4411 5.6770 5.6770 5.9733 5.9733 6.6021 6.6021 6.6399 6.6399 7.0361 7.0361 7.1066 7.1066 7.2552 7.2552 7.5021 7.5021 7.6971 7.6971 8.0705 8.0705 8.4524 8.4524 8.4585 8.4585 8.8276 8.8276 9.2077 9.2077 9.2273 9.2273 9.5184 9.5184 9.5770 9.5770 10.0385 10.0385 12.1330 12.1330 12.6159 12.6159 12.9207 12.9207 13.0424 13.0424 13.0535 13.0535 13.3283 13.3283 13.4582 13.4582 13.5891 13.5891 13.7945 13.7945 14.2699 14.2699 k = 0.0000 0.0000 0.1144 ( 4720 PWs) bands (ev): -0.2147 -0.2147 1.6537 1.6537 2.9277 2.9277 4.7644 4.7644 4.7730 4.7730 5.2069 5.2069 5.4413 5.4413 5.6778 5.6778 5.9750 5.9750 6.6022 6.6022 6.6415 6.6415 7.0364 7.0364 7.1059 7.1059 7.2568 7.2568 7.4973 7.4973 7.6968 7.6968 8.0797 8.0797 8.4499 8.4499 8.4538 8.4538 8.8282 8.8282 9.2080 9.2080 9.2273 9.2273 9.5210 9.5210 9.5958 9.5958 10.1161 10.1161 12.0509 12.0509 12.5904 12.5904 12.8978 12.8978 13.0459 13.0459 13.0567 13.0567 13.3217 13.3217 13.4729 13.4729 13.5799 13.5799 13.7836 13.7836 14.2712 14.2712 k = 0.0000 0.0000 0.1271 ( 4720 PWs) bands (ev): -0.2122 -0.2122 1.6282 1.6282 2.9845 2.9845 4.7266 4.7266 4.7643 4.7643 5.1982 5.1982 5.4415 5.4415 5.6785 5.6785 5.9764 5.9764 6.6024 6.6024 6.6430 6.6430 7.0366 7.0366 7.1053 7.1053 7.2582 7.2582 7.4928 7.4928 7.6966 7.6966 8.0879 8.0879 8.4475 8.4475 8.4493 8.4493 8.8292 8.8292 9.2084 9.2084 9.2278 9.2278 9.5235 9.5235 9.6102 9.6102 10.2027 10.2027 11.9557 11.9557 12.5700 12.5700 12.8803 12.8803 13.0396 13.0396 13.0718 13.0718 13.3140 13.3140 13.4869 13.4869 13.5709 13.5709 13.7728 13.7728 14.2726 14.2726 k = 0.0000 0.0000 0.1398 ( 4708 PWs) bands (ev): -0.2100 -0.2100 1.6059 1.6059 3.0378 3.0378 4.6810 4.6810 4.7642 4.7642 5.1915 5.1915 5.4417 5.4417 5.6790 5.6790 5.9777 5.9777 6.6025 6.6025 6.6443 6.6443 7.0367 7.0367 7.1049 7.1049 7.2594 7.2594 7.4886 7.4886 7.6965 7.6965 8.0949 8.0949 8.4451 8.4451 8.4453 8.4453 8.8304 8.8304 9.2088 9.2088 9.2285 9.2285 9.5258 9.5258 9.6210 9.6210 10.2953 10.2953 11.8522 11.8522 12.5545 12.5545 12.8671 12.8671 13.0342 13.0342 13.0872 13.0872 13.3055 13.3055 13.4999 13.4999 13.5625 13.5625 13.7625 13.7625 14.2738 14.2738 k = 0.0000 0.0000 0.1525 ( 4702 PWs) bands (ev): -0.2080 -0.2080 1.5872 1.5872 3.0855 3.0855 4.6386 4.6386 4.7642 4.7642 5.1864 5.1864 5.4418 5.4418 5.6795 5.6795 5.9786 5.9786 6.6026 6.6026 6.6455 6.6455 7.0369 7.0369 7.1047 7.1047 7.2604 7.2604 7.4850 7.4850 7.6964 7.6964 8.1008 8.1008 8.4414 8.4414 8.4433 8.4433 8.8316 8.8316 9.2092 9.2092 9.2295 9.2295 9.5277 9.5277 9.6289 9.6289 10.3901 10.3901 11.7461 11.7461 12.5433 12.5433 12.8572 12.8572 13.0297 13.0297 13.1024 13.1024 13.2964 13.2964 13.5114 13.5114 13.5551 13.5551 13.7531 13.7531 14.2748 14.2748 k = 0.0000 0.0000 0.1652 ( 4702 PWs) bands (ev): -0.2063 -0.2063 1.5723 1.5723 3.1257 3.1257 4.6020 4.6020 4.7641 4.7641 5.1827 5.1827 5.4419 5.4419 5.6798 5.6798 5.9794 5.9794 6.6027 6.6027 6.6465 6.6465 7.0370 7.0370 7.1045 7.1045 7.2613 7.2613 7.4820 7.4820 7.6963 7.6963 8.1054 8.1054 8.4384 8.4384 8.4417 8.4417 8.8327 8.8327 9.2095 9.2095 9.2304 9.2304 9.5293 9.5293 9.6345 9.6345 10.4818 10.4818 11.6443 11.6443 12.5355 12.5355 12.8501 12.8501 13.0262 13.0262 13.1166 13.1166 13.2872 13.2872 13.5211 13.5211 13.5490 13.5490 13.7450 13.7450 14.2757 14.2757 k = 0.0000 0.0000 0.1779 ( 4702 PWs) bands (ev): -0.2051 -0.2051 1.5616 1.5616 3.1563 3.1563 4.5736 4.5736 4.7641 4.7641 5.1802 5.1802 5.4420 5.4420 5.6801 5.6801 5.9799 5.9799 6.6028 6.6028 6.6472 6.6472 7.0371 7.0371 7.1045 7.1045 7.2619 7.2619 7.4798 7.4798 7.6962 7.6962 8.1087 8.1087 8.4362 8.4362 8.4405 8.4405 8.8335 8.8335 9.2098 9.2098 9.2311 9.2311 9.5305 9.5305 9.6383 9.6383 10.5623 10.5623 11.5557 11.5557 12.5303 12.5303 12.8452 12.8452 13.0236 13.0236 13.1285 13.1285 13.2790 13.2790 13.5284 13.5284 13.5445 13.5445 13.7388 13.7388 14.2763 14.2763 k = 0.0000 0.0000 0.1906 ( 4690 PWs) bands (ev): -0.2044 -0.2044 1.5551 1.5551 3.1756 3.1756 4.5556 4.5556 4.7640 4.7640 5.1788 5.1788 5.4420 5.4420 5.6802 5.6802 5.9803 5.9803 6.6029 6.6029 6.6476 6.6476 7.0371 7.0371 7.1044 7.1044 7.2622 7.2622 7.4785 7.4785 7.6962 7.6962 8.1107 8.1107 8.4348 8.4348 8.4397 8.4397 8.8341 8.8341 9.2099 9.2099 9.2316 9.2316 9.5312 9.5312 9.6405 9.6405 10.6202 10.6202 11.4928 11.4928 12.5274 12.5274 12.8423 12.8423 13.0220 13.0220 13.1367 13.1367 13.2730 13.2730 13.5331 13.5331 13.5417 13.5417 13.7349 13.7349 14.2767 14.2767 k = 0.0000 0.0000 0.2033 ( 4672 PWs) bands (ev): -0.2041 -0.2041 1.5529 1.5529 3.1822 3.1822 4.5494 4.5494 4.7640 4.7640 5.1783 5.1783 5.4421 5.4421 5.6803 5.6803 5.9804 5.9804 6.6029 6.6029 6.6477 6.6477 7.0372 7.0372 7.1044 7.1044 7.2623 7.2623 7.4780 7.4780 7.6962 7.6962 8.1113 8.1113 8.4344 8.4344 8.4395 8.4395 8.8342 8.8342 9.2100 9.2100 9.2318 9.2318 9.5315 9.5315 9.6412 9.6412 10.6417 10.6417 11.4696 11.4696 12.5264 12.5264 12.8414 12.8414 13.0215 13.0215 13.1397 13.1397 13.2708 13.2708 13.5346 13.5346 13.5408 13.5408 13.7336 13.7336 14.2769 14.2769 k = 0.0000 0.0000 0.2033 ( 4672 PWs) bands (ev): -0.2041 -0.2041 1.5529 1.5529 3.1822 3.1822 4.5494 4.5494 4.7640 4.7640 5.1783 5.1783 5.4421 5.4421 5.6803 5.6803 5.9804 5.9804 6.6029 6.6029 6.6477 6.6477 7.0372 7.0372 7.1044 7.1044 7.2623 7.2623 7.4780 7.4780 7.6962 7.6962 8.1113 8.1113 8.4344 8.4344 8.4395 8.4395 8.8342 8.8342 9.2100 9.2100 9.2318 9.2318 9.5315 9.5315 9.6412 9.6412 10.6417 10.6417 11.4696 11.4696 12.5264 12.5264 12.8414 12.8414 13.0215 13.0215 13.1397 13.1397 13.2708 13.2708 13.5346 13.5346 13.5408 13.5408 13.7336 13.7336 14.2769 14.2769 k = 0.0114 0.0066 0.2033 ( 4690 PWs) bands (ev): -0.2024 -0.2024 1.5542 1.5542 3.1836 3.1836 4.5494 4.5494 4.7643 4.7643 5.1782 5.1782 5.4417 5.4417 5.6799 5.6799 5.9815 5.9815 6.6032 6.6032 6.6483 6.6483 7.0376 7.0376 7.1046 7.1046 7.2629 7.2629 7.4771 7.4771 7.6954 7.6954 8.1088 8.1088 8.4194 8.4194 8.4535 8.4535 8.8344 8.8344 9.2077 9.2077 9.2332 9.2332 9.5300 9.5300 9.6408 9.6408 10.6437 10.6437 11.4716 11.4716 12.5044 12.5044 12.8281 12.8281 12.9988 12.9988 13.1609 13.1609 13.2832 13.2832 13.4786 13.4786 13.5755 13.5755 13.7354 13.7354 14.2958 14.2958 k = 0.0227 0.0131 0.2033 ( 4684 PWs) bands (ev): -0.1975 -0.1975 1.5584 1.5584 3.1877 3.1877 4.5494 4.5494 4.7650 4.7650 5.1779 5.1779 5.4407 5.4407 5.6790 5.6790 5.9848 5.9848 6.6041 6.6041 6.6498 6.6498 7.0391 7.0391 7.1050 7.1050 7.2646 7.2646 7.4744 7.4744 7.6933 7.6933 8.1013 8.1013 8.4016 8.4016 8.4684 8.4684 8.8351 8.8351 9.2019 9.2019 9.2362 9.2362 9.5257 9.5257 9.6398 9.6398 10.6498 10.6498 11.4775 11.4775 12.4421 12.4421 12.7926 12.7926 12.9494 12.9494 13.2114 13.2114 13.3031 13.3031 13.4066 13.4066 13.5819 13.5819 13.7538 13.7538 14.3469 14.3469 k = 0.0341 0.0197 0.2033 ( 4686 PWs) bands (ev): -0.1892 -0.1892 1.5652 1.5652 3.1946 3.1946 4.5493 4.5493 4.7662 4.7662 5.1776 5.1776 5.4388 5.4388 5.6776 5.6776 5.9902 5.9902 6.6055 6.6055 6.6524 6.6524 7.0416 7.0416 7.1057 7.1057 7.2675 7.2675 7.4698 7.4698 7.6897 7.6897 8.0890 8.0890 8.3834 8.3834 8.4818 8.4818 8.8361 8.8361 9.1941 9.1941 9.2390 9.2390 9.5189 9.5189 9.6380 9.6380 10.6595 10.6595 11.4867 11.4867 12.3495 12.3495 12.7353 12.7353 12.9014 12.9014 13.2578 13.2578 13.2916 13.2916 13.3580 13.3580 13.5619 13.5619 13.7984 13.7984 14.4186 14.4186 k = 0.0455 0.0262 0.2033 ( 4696 PWs) bands (ev): -0.1776 -0.1776 1.5748 1.5748 3.2042 3.2042 4.5490 4.5490 4.7678 4.7678 5.1773 5.1773 5.4361 5.4361 5.6760 5.6760 5.9974 5.9974 6.6074 6.6074 6.6561 6.6561 7.0449 7.0449 7.1067 7.1067 7.2715 7.2715 7.4635 7.4635 7.6848 7.6848 8.0725 8.0725 8.3652 8.3652 8.4933 8.4933 8.8375 8.8375 9.1850 9.1850 9.2409 9.2409 9.5101 9.5101 9.6357 9.6357 10.6723 10.6723 11.4979 11.4979 12.2367 12.2367 12.6567 12.6567 12.8652 12.8652 13.1834 13.1834 13.3159 13.3159 13.3554 13.3554 13.5482 13.5482 13.8589 13.8589 14.5004 14.5004 k = 0.0568 0.0328 0.2033 ( 4704 PWs) bands (ev): -0.1627 -0.1627 1.5870 1.5870 3.2165 3.2165 4.5483 4.5483 4.7698 4.7698 5.1774 5.1774 5.4323 5.4323 5.6747 5.6747 6.0062 6.0062 6.6096 6.6096 6.6608 6.6608 7.0491 7.0491 7.1081 7.1081 7.2767 7.2767 7.4553 7.4553 7.6785 7.6785 8.0523 8.0523 8.3469 8.3469 8.5027 8.5027 8.8390 8.8390 9.1746 9.1746 9.2413 9.2413 9.4998 9.4998 9.6327 9.6327 10.6873 10.6873 11.5091 11.5091 12.1127 12.1127 12.5648 12.5648 12.8341 12.8341 13.0788 13.0788 13.3058 13.3058 13.3570 13.3570 13.5755 13.5755 13.9257 13.9257 14.5847 14.5847 k = 0.0682 0.0394 0.2033 ( 4702 PWs) bands (ev): -0.1445 -0.1445 1.6020 1.6020 3.2315 3.2315 4.5471 4.5471 4.7721 4.7721 5.1780 5.1780 5.4273 5.4273 5.6741 5.6741 6.0163 6.0163 6.6121 6.6121 6.6664 6.6664 7.0541 7.0541 7.1097 7.1097 7.2830 7.2830 7.4455 7.4455 7.6709 7.6709 8.0293 8.0293 8.3286 8.3286 8.5098 8.5098 8.8407 8.8407 9.1629 9.1629 9.2401 9.2401 9.4887 9.4887 9.6292 9.6292 10.7031 10.7031 11.5158 11.5158 11.9863 11.9863 12.4667 12.4667 12.7969 12.7969 12.9751 12.9751 13.2537 13.2537 13.3593 13.3593 13.6382 13.6382 13.9930 13.9930 14.6664 14.6664 k = 0.0795 0.0459 0.2033 ( 4706 PWs) bands (ev): -0.1230 -0.1230 1.6197 1.6197 3.2492 3.2492 4.5451 4.5451 4.7747 4.7747 5.1795 5.1795 5.4209 5.4209 5.6743 5.6743 6.0273 6.0273 6.6147 6.6147 6.6729 6.6729 7.0597 7.0597 7.1118 7.1118 7.2904 7.2904 7.4340 7.4340 7.6620 7.6620 8.0043 8.0043 8.3101 8.3101 8.5147 8.5147 8.8422 8.8422 9.1497 9.1497 9.2372 9.2372 9.4776 9.4776 9.6251 9.6251 10.7178 10.7178 11.5089 11.5089 11.8700 11.8700 12.3660 12.3660 12.7384 12.7384 12.8879 12.8879 13.1852 13.1852 13.3606 13.3606 13.7151 13.7151 14.0573 14.0573 14.7414 14.7414 k = 0.0909 0.0525 0.2033 ( 4708 PWs) bands (ev): -0.0982 -0.0982 1.6400 1.6400 3.2696 3.2696 4.5420 4.5420 4.7775 4.7775 5.1822 5.1822 5.4131 5.4131 5.6758 5.6758 6.0391 6.0391 6.6173 6.6173 6.6801 6.6801 7.0658 7.0658 7.1143 7.1143 7.2988 7.2988 7.4210 7.4210 7.6520 7.6520 7.9784 7.9784 8.2914 8.2914 8.5173 8.5173 8.8431 8.8431 9.1348 9.1348 9.2326 9.2326 9.4669 9.4669 9.6206 9.6206 10.7281 10.7281 11.4705 11.4705 11.7847 11.7847 12.2648 12.2648 12.6494 12.6494 12.8271 12.8271 13.1108 13.1108 13.3627 13.3627 13.7965 13.7965 14.1161 14.1161 14.8036 14.8036 k = 0.1023 0.0590 0.2033 ( 4712 PWs) bands (ev): -0.0702 -0.0702 1.6631 1.6631 3.2926 3.2926 4.5374 4.5374 4.7806 4.7806 5.1862 5.1862 5.4039 5.4039 5.6788 5.6788 6.0513 6.0513 6.6199 6.6199 6.6878 6.6878 7.0721 7.0721 7.1173 7.1173 7.3077 7.3077 7.4070 7.4070 7.6410 7.6410 7.9526 7.9526 8.2721 8.2721 8.5175 8.5175 8.8431 8.8431 9.1185 9.1185 9.2267 9.2267 9.4570 9.4570 9.6155 9.6155 10.7291 10.7291 11.3908 11.3908 11.7439 11.7439 12.1644 12.1644 12.5436 12.5436 12.7805 12.7805 13.0346 13.0346 13.3669 13.3669 13.8784 13.8784 14.1675 14.1675 14.8384 14.8384 k = 0.1136 0.0656 0.2033 ( 4708 PWs) bands (ev): -0.0389 -0.0389 1.6887 1.6887 3.3181 3.3181 4.5312 4.5312 4.7841 4.7841 5.1917 5.1917 5.3934 5.3934 5.6833 5.6833 6.0637 6.0637 6.6224 6.6224 6.6959 6.6959 7.0783 7.0783 7.1211 7.1211 7.3164 7.3164 7.3930 7.3930 7.6293 7.6293 7.9277 7.9277 8.2523 8.2523 8.5154 8.5154 8.8414 8.8414 9.1011 9.1011 9.2198 9.2198 9.4481 9.4481 9.6100 9.6100 10.7130 10.7130 11.2903 11.2903 11.7324 11.7324 12.0662 12.0662 12.4352 12.4352 12.7365 12.7365 12.9588 12.9588 13.3737 13.3737 13.9583 13.9583 14.2098 14.2098 14.8187 14.8187 k = 0.1250 0.0722 0.2033 ( 4712 PWs) bands (ev): -0.0045 -0.0045 1.7169 1.7169 3.3462 3.3462 4.5228 4.5228 4.7880 4.7880 5.1987 5.1987 5.3819 5.3819 5.6893 5.6893 6.0760 6.0760 6.6247 6.6247 6.7039 6.7039 7.0841 7.0841 7.1258 7.1258 7.3228 7.3228 7.3814 7.3814 7.6171 7.6171 7.9043 7.9043 8.2317 8.2317 8.5111 8.5111 8.8374 8.8374 9.0831 9.0831 9.2121 9.2121 9.4402 9.4402 9.6038 9.6038 10.6695 10.6695 11.1956 11.1956 11.7286 11.7286 11.9725 11.9725 12.3323 12.3323 12.6912 12.6912 12.8841 12.8841 13.3832 13.3832 14.0337 14.0337 14.2402 14.2402 14.7408 14.7408 k = 0.1364 0.0787 0.2033 ( 4720 PWs) bands (ev): 0.0332 0.0332 1.7478 1.7478 3.3767 3.3767 4.5122 4.5122 4.7923 4.7923 5.2068 5.2068 5.3700 5.3700 5.6969 5.6969 6.0880 6.0880 6.6268 6.6268 6.7115 6.7115 7.0889 7.0889 7.1316 7.1316 7.3222 7.3222 7.3774 7.3774 7.6048 7.6048 7.8830 7.8830 8.2103 8.2103 8.5046 8.5046 8.8302 8.8302 9.0655 9.0655 9.2039 9.2039 9.4329 9.4329 9.5971 9.5971 10.5912 10.5912 11.1208 11.1208 11.7162 11.7162 11.8888 11.8888 12.2408 12.2408 12.6442 12.6442 12.8113 12.8113 13.3947 13.3947 14.0993 14.0993 14.2554 14.2554 14.6423 14.6423 k = 0.1477 0.0853 0.2033 ( 4724 PWs) bands (ev): 0.0741 0.0741 1.7812 1.7812 3.4096 3.4096 4.4992 4.4992 4.7972 4.7972 5.2153 5.2153 5.3587 5.3587 5.7060 5.7060 6.0995 6.0995 6.6285 6.6285 6.7183 6.7183 7.0924 7.0924 7.1385 7.1385 7.3133 7.3133 7.3833 7.3833 7.5928 7.5928 7.8639 7.8639 8.1880 8.1880 8.4959 8.4959 8.8190 8.8190 9.0493 9.0493 9.1954 9.1954 9.4261 9.4261 9.5897 9.5897 10.4812 10.4812 11.0637 11.0637 11.6771 11.6771 11.8273 11.8273 12.1658 12.1658 12.5967 12.5967 12.7405 12.7405 13.4074 13.4074 14.1336 14.1336 14.2614 14.2614 14.5599 14.5599 k = 0.1591 0.0919 0.2033 ( 4724 PWs) bands (ev): 0.1181 0.1181 1.8170 1.8170 3.4448 3.4448 4.4835 4.4835 4.8025 4.8025 5.2223 5.2223 5.3497 5.3497 5.7164 5.7164 6.1102 6.1102 6.6300 6.6300 6.7236 6.7236 7.0944 7.0944 7.1462 7.1462 7.3008 7.3008 7.3951 7.3951 7.5817 7.5817 7.8471 7.8471 8.1649 8.1649 8.4850 8.4850 8.8034 8.8034 9.0354 9.0354 9.1864 9.1864 9.4195 9.4195 9.5814 9.5814 10.3500 10.3500 11.0132 11.0132 11.6042 11.6042 11.7932 11.7932 12.1092 12.1092 12.5508 12.5508 12.6720 12.6720 13.4198 13.4198 14.0921 14.0921 14.2904 14.2904 14.5155 14.5155 k = 0.1705 0.0984 0.2033 ( 4728 PWs) bands (ev): 0.1652 0.1652 1.8554 1.8554 3.4823 3.4823 4.4654 4.4654 4.8081 4.8081 5.2254 5.2254 5.3457 5.3457 5.7281 5.7281 6.1201 6.1201 6.6310 6.6310 6.7269 6.7269 7.0949 7.0949 7.1543 7.1543 7.2892 7.2892 7.4095 7.4095 7.5719 7.5719 7.8324 7.8324 8.1409 8.1409 8.4721 8.4721 8.7833 8.7833 9.0241 9.0241 9.1769 9.1769 9.4127 9.4127 9.5721 9.5721 10.2082 10.2082 10.9585 10.9585 11.5118 11.5118 11.7738 11.7738 12.0680 12.0680 12.5095 12.5095 12.6060 12.6060 13.4295 13.4295 13.9934 13.9934 14.3336 14.3336 14.5046 14.5046 k = 0.1818 0.1050 0.2033 ( 4734 PWs) bands (ev): 0.2155 0.2155 1.8962 1.8962 3.5218 3.5218 4.4447 4.4447 4.8138 4.8138 5.2219 5.2219 5.3496 5.3496 5.7409 5.7409 6.1289 6.1289 6.6314 6.6314 6.7277 6.7277 7.0940 7.0940 7.1623 7.1623 7.2811 7.2811 7.4247 7.4247 7.5643 7.5643 7.8195 7.8195 8.1162 8.1162 8.4573 8.4573 8.7592 8.7592 9.0151 9.0151 9.1663 9.1663 9.4055 9.4055 9.5611 9.5611 10.0632 10.0632 10.8943 10.8943 11.4107 11.4107 11.7612 11.7612 12.0358 12.0358 12.4753 12.4753 12.5433 12.5433 13.4324 13.4324 13.8769 13.8769 14.3697 14.3697 14.5145 14.5145 k = 0.1932 0.1115 0.2033 ( 4732 PWs) bands (ev): 0.2688 0.2688 1.9394 1.9394 3.5632 3.5632 4.4219 4.4219 4.8191 4.8191 5.2115 5.2115 5.3618 5.3618 5.7547 5.7547 6.1365 6.1365 6.6311 6.6311 6.7255 6.7255 7.0922 7.0922 7.1697 7.1697 7.2779 7.2779 7.4394 7.4394 7.5597 7.5597 7.8081 7.8081 8.0908 8.0908 8.4407 8.4407 8.7317 8.7317 9.0078 9.0078 9.1542 9.1542 9.3977 9.3977 9.5472 9.5472 9.9211 9.9211 10.8195 10.8195 11.3057 11.3057 11.7501 11.7501 12.0089 12.0089 12.4468 12.4468 12.4879 12.4879 13.4196 13.4196 13.7668 13.7668 14.3918 14.3918 14.5370 14.5370 k = 0.2045 0.1181 0.2033 ( 4732 PWs) bands (ev): 0.3251 0.3251 1.9848 1.9848 3.6065 3.6065 4.3969 4.3969 4.8235 4.8235 5.1960 5.1960 5.3808 5.3808 5.7693 5.7693 6.1427 6.1427 6.6295 6.6295 6.7204 6.7204 7.0904 7.0904 7.1764 7.1764 7.2801 7.2801 7.4519 7.4519 7.5592 7.5592 7.7978 7.7978 8.0651 8.0651 8.4225 8.4225 8.7017 8.7017 9.0014 9.0014 9.1394 9.1394 9.3890 9.3890 9.5276 9.5276 9.7890 9.7890 10.7355 10.7355 11.1990 11.1990 11.7316 11.7316 11.9897 11.9897 12.4070 12.4070 12.4572 12.4572 13.3761 13.3761 13.6847 13.6847 14.4018 14.4018 14.5636 14.5636 k = 0.2159 0.1247 0.2033 ( 4744 PWs) bands (ev): 0.3843 0.3843 2.0326 2.0326 3.6512 3.6512 4.3702 4.3702 4.8260 4.8260 5.1779 5.1779 5.4046 5.4046 5.7847 5.7847 6.1476 6.1476 6.6261 6.6261 6.7131 6.7131 7.0892 7.0892 7.1825 7.1825 7.2872 7.2872 7.4608 7.4608 7.5643 7.5643 7.7880 7.7880 8.0392 8.0392 8.4029 8.4029 8.6699 8.6699 8.9947 8.9947 9.1201 9.1201 9.3790 9.3790 9.4940 9.4940 9.6795 9.6795 10.6449 10.6449 11.0923 11.0923 11.6959 11.6959 11.9845 11.9845 12.3547 12.3547 12.4506 12.4506 13.2939 13.2939 13.6419 13.6419 14.4041 14.4041 14.5854 14.5854 k = 0.2273 0.1312 0.2033 ( 4752 PWs) bands (ev): 0.4466 0.4466 2.0826 2.0826 3.6970 3.6970 4.3421 4.3421 4.8256 4.8256 5.1591 5.1591 5.4320 5.4320 5.8007 5.8007 6.1510 6.1510 6.6199 6.6199 6.7047 6.7047 7.0891 7.0891 7.1883 7.1883 7.2982 7.2982 7.4653 7.4653 7.5753 7.5753 7.7782 7.7782 8.0135 8.0135 8.3821 8.3821 8.6367 8.6367 8.9854 8.9854 9.0938 9.0938 9.3663 9.3663 9.4367 9.4367 9.6094 9.6094 10.5502 10.5502 10.9865 10.9865 11.6395 11.6395 11.9946 11.9946 12.3026 12.3026 12.4520 12.4520 13.1882 13.1882 13.6263 13.6263 14.4020 14.4020 14.5958 14.5958 k = 0.2386 0.1378 0.2033 ( 4744 PWs) bands (ev): 0.5117 0.5117 2.1347 2.1347 3.7434 3.7434 4.3131 4.3131 4.8208 4.8208 5.1417 5.1417 5.4621 5.4621 5.8173 5.8173 6.1530 6.1530 6.6099 6.6099 6.6970 6.6970 7.0903 7.0903 7.1942 7.1942 7.3123 7.3123 7.4660 7.4660 7.5910 7.5910 7.7678 7.7678 7.9886 7.9886 8.3605 8.3605 8.6024 8.6024 8.9681 8.9681 9.0601 9.0601 9.3393 9.3393 9.3793 9.3793 9.5736 9.5736 10.4537 10.4537 10.8825 10.8825 11.5661 11.5661 12.0143 12.0143 12.2552 12.2552 12.4536 12.4536 13.0782 13.0782 13.6226 13.6226 14.3969 14.3969 14.5911 14.5911 k = 0.2500 0.1443 0.2033 ( 4744 PWs) bands (ev): 0.5796 0.5796 2.1888 2.1888 3.7897 3.7897 4.2839 4.2839 4.8101 4.8101 5.1273 5.1273 5.4942 5.4942 5.8343 5.8343 6.1535 6.1535 6.5955 6.5955 6.6912 6.6912 7.0923 7.0923 7.2003 7.2003 7.3286 7.3286 7.4640 7.4640 7.6099 7.6099 7.7563 7.7563 7.9651 7.9651 8.3380 8.3380 8.5671 8.5671 8.9292 8.9292 9.0284 9.0284 9.2881 9.2881 9.3564 9.3564 9.5526 9.5526 10.3574 10.3574 10.7806 10.7806 11.4808 11.4808 12.0332 12.0332 12.2177 12.2177 12.4477 12.4477 12.9778 12.9778 13.6230 13.6230 14.3894 14.3894 14.5718 14.5718 k = 0.2614 0.1509 0.2033 ( 4750 PWs) bands (ev): 0.6504 0.6504 2.2450 2.2450 3.8344 3.8344 4.2556 4.2556 4.7923 4.7923 5.1172 5.1172 5.5281 5.5281 5.8516 5.8516 6.1527 6.1527 6.5776 6.5776 6.6875 6.6875 7.0946 7.0946 7.2067 7.2067 7.3464 7.3464 7.4603 7.4603 7.6303 7.6303 7.7432 7.7432 7.9435 7.9435 8.3147 8.3147 8.5311 8.5311 8.8626 8.8626 9.0089 9.0089 9.2449 9.2449 9.3423 9.3423 9.5369 9.5369 10.2627 10.2627 10.6813 10.6813 11.3878 11.3878 12.0366 12.0366 12.2006 12.2006 12.4247 12.4247 12.8996 12.8996 13.6241 13.6241 14.3788 14.3788 14.5427 14.5427 k = 0.2727 0.1575 0.2033 ( 4752 PWs) bands (ev): 0.7238 0.7238 2.3030 2.3030 3.8751 3.8751 4.2306 4.2306 4.7669 4.7669 5.1122 5.1122 5.5632 5.5632 5.8691 5.8691 6.1505 6.1505 6.5571 6.5571 6.6855 6.6855 7.0966 7.0966 7.2133 7.2133 7.3647 7.3647 7.4555 7.4555 7.6507 7.6507 7.7286 7.7286 7.9246 7.9246 8.2898 8.2898 8.4945 8.4945 8.7836 8.7836 8.9958 8.9958 9.2129 9.2129 9.3293 9.3293 9.5232 9.5232 10.1713 10.1713 10.5852 10.5852 11.2898 11.2898 12.0153 12.0153 12.2083 12.2083 12.3781 12.3781 12.8531 12.8531 13.6246 13.6246 14.3628 14.3628 14.5114 14.5114 k = 0.2841 0.1640 0.2033 ( 4756 PWs) bands (ev): 0.7999 0.7999 2.3627 2.3627 3.9076 3.9076 4.2126 4.2126 4.7343 4.7343 5.1120 5.1120 5.5992 5.5992 5.8868 5.8868 6.1472 6.1472 6.5353 6.5353 6.6845 6.6845 7.0976 7.0976 7.2199 7.2199 7.3823 7.3823 7.4504 7.4504 7.6684 7.6684 7.7144 7.7144 7.9088 7.9088 8.2621 8.2621 8.4583 8.4583 8.7061 8.7061 8.9838 8.9838 9.1872 9.1872 9.3165 9.3165 9.5100 9.5100 10.0845 10.0845 10.4925 10.4925 11.1888 11.1888 11.9771 11.9771 12.2192 12.2192 12.3202 12.3202 12.8382 12.8382 13.6239 13.6239 14.3386 14.3386 14.4850 14.4850 k = 0.2955 0.1706 0.2033 ( 4760 PWs) bands (ev): 0.8786 0.8786 2.4242 2.4242 3.9257 3.9257 4.2074 4.2074 4.6955 4.6955 5.1158 5.1158 5.6357 5.6357 5.9046 5.9046 6.1428 6.1428 6.5131 6.5131 6.6840 6.6840 7.0971 7.0971 7.2260 7.2260 7.3965 7.3965 7.4470 7.4470 7.6742 7.6742 7.7098 7.7098 7.8964 7.8964 8.2299 8.2299 8.4242 8.4242 8.6378 8.6378 8.9704 8.9704 9.1646 9.1646 9.3035 9.3035 9.4965 9.4965 10.0036 10.0036 10.4036 10.4036 11.0866 11.0866 11.9308 11.9308 12.1737 12.1737 12.3093 12.3093 12.8466 12.8466 13.6221 13.6221 14.3051 14.3051 14.4677 14.4677 k = 0.3068 0.1771 0.2033 ( 4760 PWs) bands (ev): 0.9598 0.9598 2.4871 2.4871 3.9240 3.9240 4.2198 4.2198 4.6518 4.6518 5.1226 5.1226 5.6723 5.6723 5.9225 5.9225 6.1374 6.1374 6.4912 6.4912 6.6836 6.6836 7.0945 7.0945 7.2311 7.2311 7.4014 7.4014 7.4499 7.4499 7.6626 7.6626 7.7208 7.7208 7.8874 7.8874 8.1922 8.1922 8.3946 8.3946 8.5821 8.5821 8.9540 8.9540 9.1435 9.1435 9.2903 9.2903 9.4819 9.4819 9.9300 9.9300 10.3190 10.3190 10.9846 10.9846 11.8789 11.8789 12.0841 12.0841 12.3379 12.3379 12.8696 12.8696 13.6194 13.6194 14.2648 14.2648 14.4586 14.4586 k = 0.3182 0.1837 0.2033 ( 4760 PWs) bands (ev): 1.0434 1.0434 2.5514 2.5514 3.9031 3.9031 4.2483 4.2483 4.6048 4.6048 5.1315 5.1315 5.7085 5.7085 5.9404 5.9404 6.1312 6.1312 6.4700 6.4700 6.6831 6.6831 7.0894 7.0894 7.2344 7.2344 7.3948 7.3948 7.4605 7.4605 7.6474 7.6474 7.7348 7.7348 7.8813 7.8813 8.1502 8.1502 8.3708 8.3708 8.5398 8.5398 8.9335 8.9335 9.1233 9.1233 9.2765 9.2765 9.4654 9.4654 9.8649 9.8649 10.2391 10.2391 10.8839 10.8839 11.8200 11.8200 11.9901 11.9901 12.3729 12.3729 12.9018 12.9018 13.6163 13.6163 14.2214 14.2214 14.4550 14.4550 k = 0.3295 0.1903 0.2033 ( 4756 PWs) bands (ev): 1.1294 1.1294 2.6170 2.6170 3.8678 3.8678 4.2868 4.2868 4.5566 4.5566 5.1416 5.1416 5.7437 5.7437 5.9582 5.9582 6.1243 6.1243 6.4499 6.4499 6.6822 6.6822 7.0815 7.0815 7.2350 7.2350 7.3814 7.3814 7.4735 7.4735 7.6345 7.6345 7.7471 7.7471 7.8778 7.8778 8.1075 8.1075 8.3524 8.3524 8.5101 8.5101 8.9080 8.9080 9.1038 9.1038 9.2617 9.2617 9.4464 9.4464 9.8093 9.8093 10.1644 10.1644 10.7859 10.7859 11.7495 11.7495 11.9052 11.9052 12.4078 12.4078 12.9395 12.9395 13.6135 13.6135 14.1777 14.1777 14.4548 14.4548 k = 0.3409 0.1968 0.2033 ( 4768 PWs) bands (ev): 1.2176 1.2176 2.6835 2.6835 3.8222 3.8222 4.3274 4.3274 4.5110 4.5110 5.1522 5.1522 5.7774 5.7774 5.9758 5.9758 6.1169 6.1169 6.4312 6.4312 6.6807 6.6807 7.0707 7.0707 7.2322 7.2322 7.3646 7.3646 7.4851 7.4851 7.6259 7.6259 7.7566 7.7566 7.8762 7.8762 8.0683 8.0683 8.3376 8.3376 8.4920 8.4920 8.8773 8.8773 9.0851 9.0851 9.2457 9.2457 9.4245 9.4245 9.7636 9.7636 10.0953 10.0953 10.6917 10.6917 11.6647 11.6647 11.8356 11.8356 12.4410 12.4410 12.9805 12.9805 13.6118 13.6118 14.1352 14.1352 14.4565 14.4565 k = 0.3523 0.2034 0.2033 ( 4766 PWs) bands (ev): 1.3079 1.3079 2.7507 2.7507 3.7691 3.7691 4.3559 4.3559 4.4801 4.4801 5.1626 5.1626 5.8090 5.8090 5.9928 5.9928 6.1095 6.1095 6.4143 6.4143 6.6787 6.6787 7.0569 7.0569 7.2253 7.2253 7.3470 7.3470 7.4936 7.4936 7.6222 7.6222 7.7629 7.7629 7.8764 7.8764 8.0357 8.0357 8.3256 8.3256 8.4841 8.4841 8.8414 8.8414 9.0669 9.0669 9.2283 9.2283 9.3999 9.3999 9.7272 9.7272 10.0326 10.0326 10.6025 10.6025 11.5695 11.5695 11.7791 11.7791 12.4717 12.4717 13.0228 13.0228 13.6124 13.6124 14.0949 14.0949 14.4590 14.4590 k = 0.3636 0.2099 0.2033 ( 4756 PWs) bands (ev): 1.4001 1.4001 2.8184 2.8184 3.7097 3.7097 4.3454 4.3454 4.4894 4.4894 5.1723 5.1723 5.8379 5.8379 6.0084 6.0084 6.1026 6.1026 6.3997 6.3997 6.6760 6.6760 7.0402 7.0402 7.2142 7.2142 7.3303 7.3303 7.4980 7.4980 7.6227 7.6227 7.7662 7.7662 7.8786 7.8786 8.0112 8.0112 8.3162 8.3162 8.4845 8.4845 8.8014 8.8014 9.0488 9.0488 9.2095 9.2095 9.3734 9.3734 9.6983 9.6983 9.9767 9.9767 10.5197 10.5197 11.4700 11.4700 11.7307 11.7307 12.4996 12.4996 13.0645 13.0645 13.6165 13.6165 14.0572 14.0572 14.4616 14.4616 k = 0.3750 0.2165 0.2033 ( 4762 PWs) bands (ev): 1.4943 1.4943 2.8860 2.8860 3.6451 3.6451 4.3048 4.3048 4.5294 4.5294 5.1808 5.1808 5.8636 5.8636 6.0212 6.0212 6.0969 6.0969 6.3884 6.3884 6.6728 6.6728 7.0212 7.0212 7.1997 7.1997 7.3159 7.3159 7.4975 7.4975 7.6260 7.6260 7.7673 7.7673 7.8833 7.8833 7.9945 7.9945 8.3098 8.3098 8.4908 8.4908 8.7586 8.7586 9.0306 9.0306 9.1895 9.1895 9.3461 9.3461 9.6739 9.6739 9.9285 9.9285 10.4444 10.4444 11.3702 11.3702 11.6876 11.6876 12.5249 12.5249 13.1039 13.1039 13.6254 13.6254 14.0226 14.0226 14.4635 14.4635 k = 0.3864 0.2231 0.2033 ( 4766 PWs) bands (ev): 1.5902 1.5902 2.9529 2.9529 3.5762 3.5762 4.2554 4.2554 4.5781 4.5781 5.1878 5.1878 5.8860 5.8860 6.0292 6.0292 6.0937 6.0937 6.3815 6.3815 6.6691 6.6691 7.0002 7.0002 7.1837 7.1837 7.3041 7.3041 7.4914 7.4914 7.6305 7.6305 7.7682 7.7682 7.8905 7.8905 7.9851 7.9851 8.3065 8.3065 8.4999 8.4999 8.7152 8.7152 9.0121 9.0121 9.1686 9.1686 9.3196 9.3196 9.6505 9.6505 9.8892 9.8892 10.3780 10.3780 11.2720 11.2720 11.6483 11.6483 12.5475 12.5475 13.1392 13.1392 13.6405 13.6405 13.9913 13.9913 14.4641 14.4641 k = 0.3977 0.2296 0.2033 ( 4784 PWs) bands (ev): 1.6876 1.6876 3.0178 3.0178 3.5043 3.5043 4.2037 4.2037 4.6284 4.6284 5.1928 5.1928 5.9050 5.9050 6.0312 6.0312 6.0932 6.0932 6.3800 6.3800 6.6651 6.6651 6.9776 6.9776 7.1679 7.1679 7.2946 7.2946 7.4801 7.4801 7.6330 7.6330 7.7724 7.7724 7.8988 7.8988 7.9826 7.9826 8.3060 8.3060 8.5076 8.5076 8.6748 8.6748 8.9939 8.9939 9.1470 9.1470 9.2948 9.2948 9.6245 9.6245 9.8597 9.8597 10.3217 10.3217 11.1767 11.1767 11.6124 11.6124 12.5676 12.5676 13.1690 13.1690 13.6628 13.6628 13.9635 13.9635 14.4624 14.4624 k = 0.4091 0.2362 0.2033 ( 4780 PWs) bands (ev): 1.7864 1.7864 3.0779 3.0779 3.4326 3.4326 4.1513 4.1513 4.6780 4.6780 5.1958 5.1958 5.9209 5.9209 6.0281 6.0281 6.0936 6.0936 6.3848 6.3848 6.6610 6.6610 6.9537 6.9537 7.1543 7.1543 7.2869 7.2869 7.4647 7.4647 7.6303 7.6303 7.7834 7.7834 7.9066 7.9066 7.9866 7.9866 8.3072 8.3072 8.5069 8.5069 8.6440 8.6440 8.9769 8.9769 9.1248 9.1248 9.2730 9.2730 9.5935 9.5935 9.8400 9.8400 10.2764 10.2764 11.0853 11.0853 11.5797 11.5797 12.5854 12.5854 13.1925 13.1925 13.6922 13.6922 13.9397 13.9397 14.4576 14.4576 k = 0.4205 0.2427 0.2033 ( 4774 PWs) bands (ev): 1.8864 1.8864 3.1243 3.1243 3.3698 3.3698 4.0988 4.0988 4.7254 4.7254 5.1966 5.1966 5.9340 5.9340 6.0220 6.0220 6.0929 6.0929 6.3956 6.3956 6.6573 6.6573 6.9286 6.9286 7.1444 7.1444 7.2807 7.2807 7.4469 7.4469 7.6207 7.6207 7.8030 7.8030 7.9131 7.9131 7.9963 7.9963 8.3082 8.3082 8.4908 8.4908 8.6298 8.6298 8.9623 8.9623 9.1025 9.1025 9.2549 9.2549 9.5569 9.5569 9.8287 9.8287 10.2426 10.2426 10.9986 10.9986 11.5502 11.5502 12.6008 12.6008 13.2097 13.2097 13.7277 13.7277 13.9206 13.9206 14.4486 14.4486 k = 0.4318 0.2493 0.2033 ( 4774 PWs) bands (ev): 1.9872 1.9872 3.1326 3.1326 3.3407 3.3407 4.0465 4.0465 4.7698 4.7698 5.1954 5.1954 5.9447 5.9447 6.0145 6.0145 6.0904 6.0904 6.4114 6.4114 6.6545 6.6545 6.9025 6.9025 7.1387 7.1387 7.2754 7.2754 7.4281 7.4281 7.6054 7.6054 7.8304 7.8304 7.9184 7.9184 8.0096 8.0096 8.3057 8.3057 8.4631 8.4631 8.6296 8.6296 8.9520 8.9520 9.0804 9.0804 9.2410 9.2410 9.5158 9.5158 9.8234 9.8234 10.2204 10.2204 10.9173 10.9173 11.5241 11.5241 12.6141 12.6141 13.2216 13.2216 13.7659 13.7659 13.9083 13.9083 14.4342 14.4342 k = 0.4432 0.2559 0.2033 ( 4774 PWs) bands (ev): 2.0886 2.0886 3.0853 3.0853 3.3626 3.3626 3.9944 3.9944 4.8100 4.8100 5.1924 5.1924 5.9533 5.9533 6.0067 6.0067 6.0867 6.0867 6.4303 6.4303 6.6531 6.6531 6.8756 6.8756 7.1374 7.1374 7.2707 7.2707 7.4096 7.4096 7.5867 7.5867 7.8638 7.8638 7.9230 7.9230 8.0242 8.0242 8.2947 8.2947 8.4361 8.4361 8.6344 8.6344 8.9471 8.9471 9.0593 9.0593 9.2315 9.2315 9.4721 9.4721 9.8218 9.8218 10.2089 10.2089 10.8424 10.8424 11.5016 11.5016 12.6253 12.6253 13.2292 13.2292 13.7994 13.7994 13.9085 13.9085 14.4135 14.4135 k = 0.4545 0.2624 0.2033 ( 4772 PWs) bands (ev): 2.1901 2.1901 3.0081 3.0081 3.4100 3.4100 3.9428 3.9428 4.8453 4.8453 5.1881 5.1881 5.9600 5.9600 5.9990 5.9990 6.0826 6.0826 6.4499 6.4499 6.6538 6.6538 6.8486 6.8486 7.1401 7.1401 7.2663 7.2663 7.3925 7.3925 7.5673 7.5673 7.9013 7.9013 7.9278 7.9278 8.0383 8.0383 8.2702 8.2702 8.4190 8.4190 8.6387 8.6387 8.9482 8.9482 9.0400 9.0400 9.2269 9.2269 9.4277 9.4277 9.8220 9.8220 10.2066 10.2066 10.7754 10.7754 11.4829 11.4829 12.6344 12.6344 13.2336 13.2336 13.8175 13.8175 13.9299 13.9299 14.3863 14.3863 k = 0.4659 0.2690 0.2033 ( 4756 PWs) bands (ev): 2.2908 2.2908 2.9202 2.9202 3.4632 3.4632 3.8927 3.8927 4.8745 4.8745 5.1833 5.1833 5.9653 5.9653 5.9921 5.9921 6.0788 6.0788 6.4679 6.4679 6.6574 6.6574 6.8224 6.8224 7.1455 7.1455 7.2621 7.2621 7.3779 7.3779 7.5494 7.5494 7.9280 7.9280 7.9462 7.9462 8.0506 8.0506 8.2333 8.2333 8.4124 8.4124 8.6406 8.6406 8.9545 8.9545 9.0232 9.0232 9.2276 9.2276 9.3845 9.3845 9.8227 9.8227 10.2110 10.2110 10.7181 10.7181 11.4681 11.4681 12.6415 12.6415 13.2361 13.2361 13.8211 13.8211 13.9690 13.9690 14.3534 14.3534 k = 0.4773 0.2756 0.2033 ( 4758 PWs) bands (ev): 2.3890 2.3890 2.8294 2.8294 3.5136 3.5136 3.8463 3.8463 4.8966 4.8966 5.1789 5.1789 5.9694 5.9694 5.9862 5.9862 6.0760 6.0760 6.4822 6.4822 6.6637 6.6637 6.7987 6.7987 7.1520 7.1520 7.2582 7.2582 7.3666 7.3666 7.5349 7.5349 7.9321 7.9321 7.9886 7.9886 8.0603 8.0603 8.1896 8.1896 8.4116 8.4116 8.6406 8.6406 8.9637 8.9637 9.0093 9.0093 9.2341 9.2341 9.3448 9.3448 9.8235 9.8235 10.2188 10.2188 10.6731 10.6731 11.4574 11.4574 12.6465 12.6465 13.2373 13.2373 13.8196 13.8196 14.0128 14.0128 14.3181 14.3181 k = 0.4886 0.2821 0.2033 ( 4762 PWs) bands (ev): 2.4786 2.4786 2.7438 2.7438 3.5534 3.5534 3.8096 3.8096 4.9105 4.9105 5.1757 5.1757 5.9724 5.9724 5.9818 5.9818 6.0742 6.0742 6.4912 6.4912 6.6708 6.6708 6.7808 6.7808 7.1574 7.1574 7.2551 7.2551 7.3595 7.3595 7.5255 7.5255 7.9341 7.9341 8.0310 8.0310 8.0677 8.0677 8.1445 8.1445 8.4125 8.4125 8.6397 8.6397 8.9733 8.9733 8.9984 8.9984 9.2460 9.2460 9.3114 9.3114 9.8241 9.8241 10.2261 10.2261 10.6438 10.6438 11.4510 11.4510 12.6496 12.6496 13.2378 13.2378 13.8177 13.8177 14.0495 14.0495 14.2873 14.2873 k = 0.5000 0.2887 0.2033 ( 4764 PWs) bands (ev): 2.5270 2.5270 2.6966 2.6966 3.5697 3.5697 3.7944 3.7944 4.9152 4.9152 5.1745 5.1745 5.9740 5.9740 5.9798 5.9798 6.0736 6.0736 6.4943 6.4943 6.6742 6.6742 6.7737 6.7737 7.1595 7.1595 7.2538 7.2538 7.3571 7.3571 7.5223 7.5223 7.9347 7.9347 8.0535 8.0535 8.0769 8.0769 8.1143 8.1143 8.4131 8.4131 8.6393 8.6393 8.9788 8.9788 8.9928 8.9928 9.2555 9.2555 9.2946 9.2946 9.8243 9.8243 10.2290 10.2290 10.6336 10.6336 11.4488 11.4488 12.6506 12.6506 13.2379 13.2379 13.8170 13.8170 14.0649 14.0649 14.2739 14.2739 k = 0.5000 0.2887 0.2033 ( 4764 PWs) bands (ev): 2.5270 2.5270 2.6966 2.6966 3.5697 3.5697 3.7944 3.7944 4.9152 4.9152 5.1745 5.1745 5.9740 5.9740 5.9798 5.9798 6.0736 6.0736 6.4943 6.4943 6.6742 6.6742 6.7737 6.7737 7.1595 7.1595 7.2538 7.2538 7.3571 7.3571 7.5223 7.5223 7.9347 7.9347 8.0535 8.0535 8.0769 8.0769 8.1143 8.1143 8.4131 8.4131 8.6393 8.6393 8.9788 8.9788 8.9928 8.9928 9.2555 9.2555 9.2946 9.2946 9.8243 9.8243 10.2290 10.2290 10.6336 10.6336 11.4488 11.4488 12.6506 12.6506 13.2379 13.2379 13.8170 13.8170 14.0649 14.0649 14.2739 14.2739 k = 0.4933 0.3002 0.2033 ( 4760 PWs) bands (ev): 2.5280 2.5280 2.6983 2.6983 3.5708 3.5708 3.7955 3.7955 4.9158 4.9158 5.1740 5.1740 5.9542 5.9542 5.9894 5.9894 6.0814 6.0814 6.4899 6.4899 6.6647 6.6647 6.7861 6.7861 7.1593 7.1593 7.2546 7.2546 7.3562 7.3562 7.5205 7.5205 7.9283 7.9283 8.0465 8.0465 8.0823 8.0823 8.1204 8.1204 8.4128 8.4128 8.6400 8.6400 8.9620 8.9620 9.0114 9.0114 9.2565 9.2565 9.2953 9.2953 9.8229 9.8229 10.2280 10.2280 10.6353 10.6353 11.4372 11.4372 12.6584 12.6584 13.2484 13.2484 13.7994 13.7994 14.0579 14.0579 14.2838 14.2838 k = 0.4867 0.3118 0.2033 ( 4762 PWs) bands (ev): 2.5310 2.5310 2.7035 2.7035 3.5740 3.5740 3.7985 3.7985 4.9176 4.9176 5.1726 5.1726 5.9241 5.9241 5.9940 5.9940 6.0996 6.0996 6.4760 6.4760 6.6472 6.6472 6.8130 6.8130 7.1587 7.1587 7.2570 7.2570 7.3538 7.3538 7.5153 7.5153 7.9117 7.9117 8.0315 8.0315 8.0902 8.0902 8.1383 8.1383 8.4122 8.4122 8.6419 8.6419 8.9420 8.9420 9.0368 9.0368 9.2594 9.2594 9.2975 9.2975 9.8191 9.8191 10.2251 10.2251 10.6403 10.6403 11.4038 11.4038 12.6816 12.6816 13.2756 13.2756 13.7548 13.7548 14.0386 14.0386 14.3076 14.3076 k = 0.4800 0.3233 0.2033 ( 4758 PWs) bands (ev): 2.5360 2.5360 2.7121 2.7121 3.5793 3.5793 3.8036 3.8036 4.9205 4.9205 5.1701 5.1701 5.8893 5.8893 5.9951 5.9951 6.1202 6.1202 6.4523 6.4523 6.6336 6.6336 6.8436 6.8436 7.1575 7.1575 7.2611 7.2611 7.3497 7.3497 7.5072 7.5072 7.8894 7.8894 8.0118 8.0118 8.0962 8.0962 8.1650 8.1650 8.4116 8.4116 8.6441 8.6441 8.9238 8.9238 9.0628 9.0628 9.2644 9.2644 9.3014 9.3014 9.8138 9.8138 10.2205 10.2205 10.6481 10.6481 11.3521 11.3521 12.7193 12.7193 13.3036 13.3036 13.7062 13.7062 14.0080 14.0080 14.3366 14.3366 k = 0.4733 0.3349 0.2033 ( 4770 PWs) bands (ev): 2.5430 2.5430 2.7240 2.7240 3.5868 3.5868 3.8107 3.8107 4.9245 4.9245 5.1664 5.1664 5.8517 5.8517 5.9947 5.9947 6.1376 6.1376 6.4214 6.4214 6.6271 6.6271 6.8737 6.8737 7.1558 7.1558 7.2668 7.2668 7.3440 7.3440 7.4968 7.4968 7.8643 7.8643 7.9888 7.9888 8.1008 8.1008 8.1964 8.1964 8.4117 8.4117 8.6457 8.6457 8.9078 8.9078 9.0876 9.0876 9.2719 9.2719 9.3067 9.3067 9.8086 9.8086 10.2143 10.2143 10.6580 10.6580 11.2868 11.2868 12.7699 12.7699 13.3012 13.3012 13.6892 13.6892 13.9649 13.9649 14.3668 14.3668 k = 0.4667 0.3464 0.2033 ( 4770 PWs) bands (ev): 2.5518 2.5518 2.7394 2.7394 3.5963 3.5963 3.8196 3.8196 4.9297 4.9297 5.1610 5.1610 5.8124 5.8124 5.9935 5.9935 6.1466 6.1466 6.3900 6.3900 6.6266 6.6266 6.9013 6.9013 7.1535 7.1535 7.2740 7.2740 7.3370 7.3370 7.4849 7.4849 7.8380 7.8380 7.9641 7.9641 8.1044 8.1044 8.2299 8.2299 8.4125 8.4125 8.6458 8.6458 8.8937 8.8937 9.1089 9.1089 9.2831 9.2831 9.3133 9.3133 9.8053 9.8053 10.2065 10.2065 10.6693 10.6693 11.2131 11.2131 12.8306 12.8306 13.2451 13.2451 13.7284 13.7284 13.9081 13.9081 14.3984 14.3984 k = 0.4600 0.3580 0.2033 ( 4766 PWs) bands (ev): 2.5626 2.5626 2.7581 2.7581 3.6080 3.6080 3.8304 3.8304 4.9357 4.9357 5.1537 5.1537 5.7719 5.7719 5.9916 5.9916 6.1409 6.1409 6.3670 6.3670 6.6298 6.6298 6.9256 6.9256 7.1505 7.1505 7.2814 7.2814 7.3298 7.3298 7.4726 7.4726 7.8109 7.8109 7.9393 7.9393 8.1072 8.1072 8.2639 8.2639 8.4139 8.4139 8.6441 8.6441 8.8815 8.8815 9.1245 9.1245 9.2987 9.2987 9.3212 9.3212 9.8056 9.8056 10.1970 10.1970 10.6813 10.6813 11.1356 11.1356 12.8958 12.8958 13.1513 13.1513 13.7975 13.7975 13.8491 13.8491 14.4340 14.4340 k = 0.4533 0.3695 0.2033 ( 4758 PWs) bands (ev): 2.5753 2.5753 2.7801 2.7801 3.6218 3.6218 3.8428 3.8428 4.9427 4.9427 5.1440 5.1440 5.7308 5.7308 5.9884 5.9884 6.1165 6.1165 6.3585 6.3585 6.6350 6.6350 6.9460 6.9460 7.1469 7.1469 7.2852 7.2852 7.3264 7.3264 7.4605 7.4605 7.7837 7.7837 7.9159 7.9159 8.1092 8.1092 8.2970 8.2970 8.4157 8.4157 8.6404 8.6404 8.8711 8.8711 9.1331 9.1331 9.3141 9.3141 9.3353 9.3353 9.8112 9.8112 10.1853 10.1853 10.6930 10.6930 11.0592 11.0592 12.9409 12.9409 13.0588 13.0588 13.7485 13.7485 13.9176 13.9176 14.4770 14.4770 k = 0.4467 0.3811 0.2033 ( 4752 PWs) bands (ev): 2.5897 2.5897 2.8054 2.8054 3.6376 3.6376 3.8567 3.8567 4.9503 4.9503 5.1313 5.1313 5.6897 5.6897 5.9814 5.9814 6.0787 6.0787 6.3635 6.3635 6.6409 6.6409 6.9624 6.9624 7.1427 7.1427 7.2802 7.2802 7.3323 7.3323 7.4495 7.4495 7.7569 7.7569 7.8949 7.8949 8.1105 8.1105 8.3280 8.3280 8.4173 8.4173 8.6350 8.6350 8.8622 8.8622 9.1350 9.1350 9.3210 9.3210 9.3631 9.3631 9.8226 9.8226 10.1707 10.1707 10.7032 10.7032 10.9882 10.9882 12.8697 12.8697 13.0649 13.0649 13.6707 13.6707 14.0189 14.0189 14.5323 14.5323 k = 0.4400 0.3926 0.2033 ( 4742 PWs) bands (ev): 2.6058 2.6058 2.8339 2.8339 3.6554 3.6554 3.8718 3.8718 4.9585 4.9585 5.1151 5.1151 5.6490 5.6490 5.9609 5.9609 6.0433 6.0433 6.3768 6.3768 6.6464 6.6464 6.9747 6.9747 7.1375 7.1375 7.2687 7.2687 7.3454 7.3454 7.4398 7.4398 7.7311 7.7311 7.8767 7.8767 8.1110 8.1110 8.3554 8.3554 8.4189 8.4189 8.6285 8.6285 8.8550 8.8550 9.1316 9.1316 9.3226 9.3226 9.3997 9.3997 9.8396 9.8396 10.1530 10.1530 10.7097 10.7097 10.9278 10.9278 12.7419 12.7419 13.0973 13.0973 13.6120 13.6120 14.1130 14.1130 14.5938 14.5938 k = 0.4333 0.4041 0.2033 ( 4752 PWs) bands (ev): 2.6236 2.6236 2.8654 2.8654 3.6753 3.6753 3.8879 3.8879 4.9666 4.9666 5.0950 5.0950 5.6095 5.6095 5.9152 5.9152 6.0273 6.0273 6.3940 6.3940 6.6507 6.6507 6.9831 6.9831 7.1310 7.1310 7.2557 7.2557 7.3618 7.3618 7.4317 7.4317 7.7075 7.7075 7.8614 7.8614 8.1107 8.1107 8.3758 8.3758 8.4218 8.4218 8.6219 8.6219 8.8496 8.8496 9.1246 9.1246 9.3208 9.3208 9.4417 9.4417 9.8610 9.8610 10.1322 10.1322 10.7092 10.7092 10.8835 10.8835 12.6051 12.6051 13.0876 13.0876 13.5979 13.5979 14.1915 14.1915 14.6065 14.6065 k = 0.4267 0.4157 0.2033 ( 4748 PWs) bands (ev): 2.6430 2.6430 2.9001 2.9001 3.6971 3.6971 3.9046 3.9046 4.9740 4.9740 5.0711 5.0711 5.5718 5.5718 5.8529 5.8529 6.0253 6.0253 6.4128 6.4128 6.6532 6.6532 6.9882 6.9882 7.1229 7.1229 7.2439 7.2439 7.3789 7.3789 7.4254 7.4254 7.6869 7.6869 7.8489 7.8489 8.1097 8.1097 8.3839 8.3839 8.4297 8.4297 8.6160 8.6160 8.8461 8.8461 9.1155 9.1155 9.3162 9.3162 9.4878 9.4878 9.8844 9.8844 10.1098 10.1098 10.6994 10.6994 10.8595 10.8595 12.4656 12.4656 13.0259 13.0259 13.6337 13.6337 14.2531 14.2531 14.6253 14.6253 k = 0.4200 0.4272 0.2033 ( 4752 PWs) bands (ev): 2.6638 2.6638 2.9377 2.9377 3.7207 3.7207 3.9213 3.9213 4.9779 4.9779 5.0454 5.0454 5.5364 5.5364 5.7838 5.7838 6.0296 6.0296 6.4316 6.4316 6.6534 6.6534 6.9904 6.9904 7.1135 7.1135 7.2348 7.2348 7.3934 7.3934 7.4228 7.4228 7.6703 7.6703 7.8388 7.8388 8.1079 8.1079 8.3795 8.3795 8.4414 8.4414 8.6122 8.6122 8.8448 8.8448 9.1052 9.1052 9.3087 9.3087 9.5369 9.5369 9.9051 9.9051 10.0902 10.0902 10.6832 10.6832 10.8530 10.8530 12.3256 12.3256 12.9305 12.9305 13.6995 13.6995 14.3008 14.3008 14.6572 14.6572 k = 0.4133 0.4388 0.2033 ( 4760 PWs) bands (ev): 2.6859 2.6859 2.9781 2.9781 3.7462 3.7462 3.9373 3.9373 4.9698 4.9698 5.0265 5.0265 5.5037 5.5037 5.7117 5.7117 6.0379 6.0379 6.4493 6.4493 6.6510 6.6510 6.9898 6.9898 7.1039 7.1039 7.2287 7.2287 7.3987 7.3987 7.4288 7.4288 7.6585 7.6585 7.8308 7.8308 8.1056 8.1056 8.3674 8.3674 8.4509 8.4509 8.6116 8.6116 8.8456 8.8456 9.0945 9.0945 9.2984 9.2984 9.5881 9.5881 9.9159 9.9159 10.0817 10.0817 10.6671 10.6671 10.8570 10.8570 12.1864 12.1864 12.8192 12.8192 13.7758 13.7758 14.3389 14.3389 14.7028 14.7028 k = 0.4067 0.4503 0.2033 ( 4764 PWs) bands (ev): 2.7092 2.7092 3.0213 3.0213 3.7734 3.7734 3.9517 3.9517 4.9415 4.9415 5.0229 5.0229 5.4740 5.4740 5.6386 5.6386 6.0496 6.0496 6.4652 6.4652 6.6457 6.6457 6.9870 6.9870 7.0955 7.0955 7.2253 7.2253 7.3956 7.3956 7.4417 7.4417 7.6520 7.6520 7.8247 7.8247 8.1029 8.1029 8.3504 8.3504 8.4552 8.4552 8.6149 8.6149 8.8486 8.8486 9.0836 9.0836 9.2853 9.2853 9.6402 9.6402 9.9114 9.9114 10.0916 10.0916 10.6553 10.6553 10.8657 10.8657 12.0489 12.0489 12.7021 12.7021 13.8513 13.8513 14.3706 14.3706 14.7626 14.7626 k = 0.4000 0.4619 0.2033 ( 4760 PWs) bands (ev): 2.7336 2.7336 3.0671 3.0671 3.8022 3.8022 3.9631 3.9631 4.9020 4.9020 5.0263 5.0263 5.4473 5.4473 5.5660 5.5660 6.0645 6.0645 6.4784 6.4784 6.6376 6.6376 6.9824 6.9824 7.0896 7.0896 7.2241 7.2241 7.3894 7.3894 7.4553 7.4553 7.6506 7.6506 7.8204 7.8204 8.0998 8.0998 8.3298 8.3298 8.4536 8.4536 8.6220 8.6220 8.8533 8.8533 9.0731 9.0731 9.2694 9.2694 9.6906 9.6906 9.8974 9.8974 10.1179 10.1179 10.6489 10.6489 10.8759 10.8759 11.9139 11.9139 12.5844 12.5844 13.9201 13.9201 14.3980 14.3980 14.8359 14.8359 k = 0.3933 0.4734 0.2033 ( 4768 PWs) bands (ev): 2.7588 2.7588 3.1153 3.1153 3.8324 3.8324 3.9700 3.9700 4.8591 4.8591 5.0300 5.0300 5.4231 5.4231 5.4955 5.4955 6.0825 6.0825 6.4883 6.4883 6.6268 6.6268 6.9773 6.9773 7.0863 7.0863 7.2246 7.2246 7.3816 7.3816 7.4677 7.4677 7.6535 7.6535 7.8177 7.8177 8.0967 8.0967 8.3070 8.3070 8.4464 8.4464 8.6322 8.6322 8.8591 8.8591 9.0631 9.0631 9.2512 9.2512 9.7336 9.7336 9.8874 9.8874 10.1536 10.1536 10.6476 10.6476 10.8853 10.8853 11.7824 11.7824 12.4695 12.4695 13.9798 13.9798 14.4223 14.4223 14.9207 14.9207 k = 0.3867 0.4850 0.2033 ( 4760 PWs) bands (ev): 2.7846 2.7846 3.1658 3.1658 3.8637 3.8637 3.9704 3.9704 4.8172 4.8172 5.0310 5.0310 5.4005 5.4005 5.4299 5.4299 6.1036 6.1036 6.4942 6.4942 6.6135 6.6135 6.9732 6.9732 7.0850 7.0850 7.2268 7.2268 7.3727 7.3727 7.4792 7.4792 7.6588 7.6588 7.8169 7.8169 8.0939 8.0939 8.2831 8.2831 8.4349 8.4349 8.6443 8.6443 8.8654 8.8654 9.0540 9.0540 9.2310 9.2310 9.7582 9.7582 9.8970 9.8970 10.1945 10.1945 10.6504 10.6504 10.8924 10.8924 11.6553 11.6553 12.3603 12.3603 14.0297 14.0297 14.4441 14.4441 15.0131 15.0131 k = 0.3800 0.4965 0.2033 ( 4760 PWs) bands (ev): 2.8107 2.8107 3.2184 3.2184 3.8958 3.8958 3.9620 3.9620 4.7797 4.7797 5.0267 5.0267 5.3642 5.3642 5.3867 5.3867 6.1277 6.1277 6.4958 6.4958 6.5981 6.5981 6.9711 6.9711 7.0846 7.0846 7.2307 7.2307 7.3630 7.3630 7.4902 7.4902 7.6644 7.6644 7.8182 7.8182 8.0917 8.0917 8.2591 8.2591 8.4202 8.4202 8.6573 8.6573 8.8713 8.8713 9.0465 9.0465 9.2097 9.2097 9.7609 9.7609 9.9316 9.9316 10.2385 10.2385 10.6561 10.6561 10.8956 10.8956 11.5336 11.5336 12.2589 12.2589 14.0708 14.0708 14.4637 14.4637 15.1083 15.1083 k = 0.3733 0.5081 0.2033 ( 4752 PWs) bands (ev): 2.8368 2.8368 3.2729 3.2729 3.9277 3.9277 3.9432 3.9432 4.7497 4.7497 5.0142 5.0142 5.3153 5.3153 5.3681 5.3681 6.1545 6.1545 6.4925 6.4925 6.5813 6.5813 6.9719 6.9719 7.0839 7.0839 7.2364 7.2364 7.3527 7.3527 7.5014 7.5014 7.6682 7.6682 7.8216 7.8216 8.0904 8.0904 8.2358 8.2358 8.4034 8.4034 8.6702 8.6702 8.8759 8.8759 9.0412 9.0412 9.1881 9.1881 9.7537 9.7537 9.9793 9.9793 10.2848 10.2848 10.6634 10.6634 10.8934 10.8934 11.4189 11.4189 12.1676 12.1676 14.1042 14.1042 14.4812 14.4812 15.2001 15.2001 k = 0.3667 0.5196 0.2033 ( 4748 PWs) bands (ev): 2.8624 2.8624 3.3290 3.3290 3.9112 3.9112 3.9605 3.9605 4.7292 4.7292 4.9911 4.9911 5.2778 5.2778 5.3530 5.3530 6.1838 6.1838 6.4839 6.4839 6.5643 6.5643 6.9756 6.9756 7.0823 7.0823 7.2438 7.2438 7.3422 7.3422 7.5130 7.5130 7.6690 7.6690 7.8269 7.8269 8.0904 8.0904 8.2142 8.2142 8.3855 8.3855 8.6822 8.6822 8.8787 8.8787 9.0391 9.0391 9.1669 9.1669 9.7451 9.7451 10.0303 10.0303 10.3329 10.3329 10.6707 10.6707 10.8845 10.8845 11.3131 11.3131 12.0887 12.0887 14.1312 14.1312 14.4967 14.4967 15.2822 15.2822 k = 0.3600 0.5312 0.2033 ( 4740 PWs) bands (ev): 2.8868 2.8868 3.3865 3.3865 3.8684 3.8684 3.9909 3.9909 4.7188 4.7188 4.9583 4.9583 5.2536 5.2536 5.3402 5.3402 6.2151 6.2151 6.4697 6.4697 6.5485 6.5485 6.9817 6.9817 7.0791 7.0791 7.2529 7.2529 7.3317 7.3317 7.5250 7.5250 7.6665 7.6665 7.8330 7.8330 8.0917 8.0917 8.1950 8.1950 8.3679 8.3679 8.6927 8.6927 8.8794 8.8794 9.0406 9.0406 9.1466 9.1466 9.7381 9.7381 10.0798 10.0798 10.3827 10.3827 10.6758 10.6758 10.8682 10.8682 11.2192 11.2192 12.0238 12.0238 14.1526 14.1526 14.5098 14.5098 15.3474 15.3474 k = 0.3533 0.5427 0.2033 ( 4732 PWs) bands (ev): 2.9091 2.9091 3.4448 3.4448 3.8155 3.8155 4.0186 4.0186 4.7172 4.7172 4.9202 4.9202 5.2401 5.2401 5.3298 5.3298 6.2477 6.2477 6.4505 6.4505 6.5349 6.5349 6.9894 6.9894 7.0744 7.0744 7.2629 7.2629 7.3216 7.3216 7.5369 7.5369 7.6615 7.6615 7.8388 7.8388 8.0940 8.0940 8.1791 8.1791 8.3517 8.3517 8.7010 8.7010 8.8787 8.8787 9.0459 9.0459 9.1276 9.1276 9.7334 9.7334 10.1241 10.1241 10.4337 10.4337 10.6755 10.6755 10.8447 10.8447 11.1415 11.1415 11.9742 11.9742 14.1691 14.1691 14.5204 14.5204 15.3905 15.3905 k = 0.3467 0.5543 0.2033 ( 4732 PWs) bands (ev): 2.9280 2.9280 3.5035 3.5035 3.7560 3.7560 4.0416 4.0416 4.7214 4.7214 4.8839 4.8839 5.2337 5.2337 5.3219 5.3219 6.2800 6.2800 6.4283 6.4283 6.5239 6.5239 6.9976 6.9976 7.0688 7.0688 7.2731 7.2731 7.3123 7.3123 7.5476 7.5476 7.6554 7.6554 7.8433 7.8433 8.0967 8.0967 8.1671 8.1671 8.3386 8.3386 8.7069 8.7069 8.8775 8.8775 9.0544 9.0544 9.1102 9.1102 9.7308 9.7308 10.1601 10.1601 10.4850 10.4850 10.6665 10.6665 10.8168 10.8168 11.0849 11.0849 11.9400 11.9400 14.1809 14.1809 14.5282 14.5282 15.4130 15.4130 k = 0.3400 0.5658 0.2033 ( 4732 PWs) bands (ev): 2.9415 2.9415 3.5606 3.5606 3.6952 3.6952 4.0573 4.0573 4.7266 4.7266 4.8577 4.8577 5.2312 5.2312 5.3168 5.3168 6.3080 6.3080 6.4071 6.4071 6.5161 6.5161 7.0044 7.0044 7.0636 7.0636 7.2821 7.2821 7.3044 7.3044 7.5553 7.5553 7.6503 7.6503 7.8459 7.8459 8.0987 8.0987 8.1597 8.1597 8.3300 8.3300 8.7100 8.7100 8.8766 8.8766 9.0653 9.0653 9.0944 9.0944 9.7298 9.7298 10.1839 10.1839 10.5329 10.5329 10.6470 10.6470 10.7915 10.7915 11.0523 11.0523 11.9207 11.9207 14.1881 14.1881 14.5331 14.5331 15.4223 15.4223 k = 0.3333 0.5774 0.2033 ( 4722 PWs) bands (ev): 2.9468 2.9468 3.5987 3.5987 3.6549 3.6549 4.0630 4.0630 4.7284 4.7284 4.8485 4.8485 5.2307 5.2307 5.3150 5.3150 6.3208 6.3208 6.3971 6.3971 6.5128 6.5128 7.0073 7.0073 7.0613 7.0613 7.2864 7.2864 7.3007 7.3007 7.5581 7.5581 7.6484 7.6484 7.8467 7.8467 8.0994 8.0994 8.1573 8.1573 8.3269 8.3269 8.7109 8.7109 8.8763 8.8763 9.0746 9.0746 9.0836 9.0836 9.7297 9.7297 10.1924 10.1924 10.5598 10.5598 10.6300 10.6300 10.7806 10.7806 11.0424 11.0424 11.9146 11.9146 14.1906 14.1906 14.5348 14.5348 15.4246 15.4246 k = 0.3333 0.5774 0.2033 ( 4722 PWs) bands (ev): 2.9468 2.9468 3.5987 3.5987 3.6549 3.6549 4.0630 4.0630 4.7284 4.7284 4.8485 4.8485 5.2307 5.2307 5.3150 5.3150 6.3208 6.3208 6.3971 6.3971 6.5128 6.5128 7.0073 7.0073 7.0613 7.0613 7.2864 7.2864 7.3007 7.3007 7.5581 7.5581 7.6484 7.6484 7.8467 7.8467 8.0994 8.0994 8.1573 8.1573 8.3269 8.3269 8.7109 8.7109 8.8763 8.8763 9.0746 9.0746 9.0836 9.0836 9.7297 9.7297 10.1924 10.1924 10.5598 10.5598 10.6300 10.6300 10.7806 10.7806 11.0424 11.0424 11.9146 11.9146 14.1906 14.1906 14.5348 14.5348 15.4246 15.4246 k = 0.3267 0.5658 0.2033 ( 4734 PWs) bands (ev): 2.9402 2.9402 3.5649 3.5649 3.6925 3.6925 4.0568 4.0568 4.7285 4.7285 4.8560 4.8560 5.2310 5.2310 5.3170 5.3170 6.3092 6.3092 6.4046 6.4046 6.5175 6.5175 7.0042 7.0042 7.0639 7.0639 7.2832 7.2832 7.3030 7.3030 7.5555 7.5555 7.6500 7.6500 7.8462 7.8462 8.0989 8.0989 8.1596 8.1596 8.3299 8.3299 8.7103 8.7103 8.8764 8.8764 9.0655 9.0655 9.0941 9.0941 9.7294 9.7294 10.1841 10.1841 10.5310 10.5310 10.6497 10.6497 10.7935 10.7935 11.0505 11.0505 11.9200 11.9200 14.1880 14.1880 14.5331 14.5331 15.4231 15.4231 k = 0.3200 0.5543 0.2033 ( 4738 PWs) bands (ev): 2.9178 2.9178 3.5244 3.5244 3.7464 3.7464 4.0386 4.0386 4.7332 4.7332 4.8732 4.8732 5.2315 5.2315 5.3236 5.3236 6.2852 6.2852 6.4139 6.4139 6.5342 6.5342 6.9961 6.9961 7.0706 7.0706 7.2781 7.2781 7.3052 7.3052 7.5492 7.5492 7.6534 7.6534 7.8452 7.8452 8.0983 8.0983 8.1664 8.1664 8.3382 8.3382 8.7092 8.7092 8.8763 8.8763 9.0550 9.0550 9.1085 9.1085 9.7277 9.7277 10.1612 10.1612 10.4772 10.4772 10.6815 10.6815 10.8305 10.8305 11.0719 11.0719 11.9350 11.9350 14.1801 14.1801 14.5278 14.5278 15.4200 15.4200 k = 0.3133 0.5427 0.2033 ( 4746 PWs) bands (ev): 2.8771 2.8771 3.4976 3.4976 3.7962 3.7962 4.0125 4.0125 4.7458 4.7458 4.8939 4.8939 5.2323 5.2323 5.3354 5.3354 6.2583 6.2583 6.4162 6.4162 6.5619 6.5619 6.9856 6.9856 7.0792 7.0792 7.2733 7.2733 7.3042 7.3042 7.5412 7.5412 7.6564 7.6564 7.8446 7.8446 8.0983 8.0983 8.1775 8.1775 8.3507 8.3507 8.7085 8.7085 8.8752 8.8752 9.0464 9.0464 9.1232 9.1232 9.7227 9.7227 10.1290 10.1290 10.4192 10.4192 10.7152 10.7152 10.8830 10.8830 11.1033 11.1033 11.9578 11.9578 14.1666 14.1666 14.5190 14.5190 15.4168 15.4168 k = 0.3067 0.5312 0.2033 ( 4748 PWs) bands (ev): 2.8184 2.8184 3.4864 3.4864 3.8286 3.8286 3.9920 3.9920 4.7655 4.7655 4.9142 4.9142 5.2342 5.2342 5.3530 5.3530 6.2318 6.2318 6.4134 6.4134 6.5957 6.5957 6.9748 6.9748 7.0885 7.0885 7.2693 7.2693 7.2995 7.2995 7.5329 7.5329 7.6578 7.6578 7.8451 7.8451 8.0996 8.0996 8.1927 8.1927 8.3659 8.3659 8.7092 8.7092 8.8724 8.8724 9.0403 9.0403 9.1377 9.1377 9.7129 9.7129 10.0927 10.0927 10.3636 10.3636 10.7523 10.7523 10.9432 10.9432 11.1430 11.1430 11.9871 11.9871 14.1475 14.1475 14.5067 14.5067 15.4144 15.4144 k = 0.3000 0.5196 0.2033 ( 4740 PWs) bands (ev): 2.7447 2.7447 3.4889 3.4889 3.8214 3.8214 4.0018 4.0018 4.7890 4.7890 4.9316 4.9316 5.2387 5.2387 5.3767 5.3767 6.2068 6.2068 6.4080 6.4080 6.6307 6.6307 6.9653 6.9653 7.0978 7.0978 7.2659 7.2659 7.2914 7.2914 7.5249 7.5249 7.6578 7.6578 7.8469 7.8469 8.1024 8.1024 8.2111 8.2111 8.3830 8.3830 8.7119 8.7119 8.8680 8.8680 9.0368 9.0368 9.1514 9.1514 9.6967 9.6967 10.0561 10.0561 10.3153 10.3153 10.7932 10.7932 11.0062 11.0062 11.1901 11.1901 12.0217 12.0217 14.1226 14.1226 14.4909 14.4909 15.4138 15.4138 k = 0.2933 0.5081 0.2033 ( 4744 PWs) bands (ev): 2.6599 2.6599 3.5017 3.5017 3.7772 3.7772 4.0411 4.0411 4.8121 4.8121 4.9447 4.9447 5.2480 5.2480 5.4062 5.4062 6.1841 6.1841 6.4019 6.4019 6.6634 6.6634 6.9588 6.9588 7.1071 7.1071 7.2620 7.2620 7.2817 7.2817 7.5169 7.5169 7.6577 7.6577 7.8500 7.8500 8.1067 8.1067 8.2310 8.2310 8.4016 8.4016 8.7168 8.7168 8.8624 8.8624 9.0357 9.0357 9.1641 9.1641 9.6739 9.6739 10.0204 10.0204 10.2784 10.2784 10.8375 10.8375 11.0695 11.0695 11.2444 11.2444 12.0607 12.0607 14.0924 14.0924 14.4719 14.4719 15.4150 15.4150 k = 0.2867 0.4965 0.2033 ( 4752 PWs) bands (ev): 2.5673 2.5673 3.5218 3.5218 3.7162 3.7162 4.0919 4.0919 4.8303 4.8303 4.9530 4.9530 5.2647 5.2647 5.4408 5.4408 6.1642 6.1642 6.3959 6.3959 6.6904 6.6904 6.9569 6.9569 7.1165 7.1165 7.2546 7.2546 7.2740 7.2740 7.5091 7.5091 7.6585 7.6585 7.8542 7.8542 8.1122 8.1122 8.2502 8.2502 8.4219 8.4219 8.7235 8.7235 8.8568 8.8568 9.0366 9.0366 9.1756 9.1756 9.6457 9.6457 9.9851 9.9851 10.2560 10.2560 10.8848 10.8848 11.1319 11.1319 11.3055 11.3055 12.1035 12.1035 14.0572 14.0572 14.4500 14.4500 15.4171 15.4171 k = 0.2800 0.4850 0.2033 ( 4760 PWs) bands (ev): 2.4697 2.4697 3.5462 3.5462 3.6483 3.6483 4.1460 4.1460 4.8393 4.8393 4.9573 4.9573 5.2906 5.2906 5.4795 5.4795 6.1472 6.1472 6.3907 6.3907 6.7092 6.7092 6.9606 6.9606 7.1267 7.1267 7.2422 7.2422 7.2710 7.2710 7.5017 7.5017 7.6611 7.6611 7.8596 7.8596 8.1186 8.1186 8.2664 8.2664 8.4443 8.4443 8.7307 8.7307 8.8537 8.8537 9.0390 9.0390 9.1857 9.1857 9.6147 9.6147 9.9500 9.9500 10.2489 10.2489 10.9346 10.9346 11.1929 11.1929 11.3728 11.3728 12.1494 12.1494 14.0176 14.0176 14.4254 14.4254 15.4176 15.4176 k = 0.2733 0.4734 0.2033 ( 4762 PWs) bands (ev): 2.3688 2.3688 3.5585 3.5585 3.5920 3.5920 4.2009 4.2009 4.8363 4.8363 4.9595 4.9595 5.3256 5.3256 5.5208 5.5208 6.1332 6.1332 6.3869 6.3869 6.7188 6.7188 6.9691 6.9691 7.1386 7.1386 7.2280 7.2280 7.2704 7.2704 7.4957 7.4957 7.6658 7.6658 7.8662 7.8662 8.1251 8.1251 8.2785 8.2785 8.4680 8.4680 8.7363 8.7363 8.8560 8.8560 9.0424 9.0424 9.1945 9.1945 9.5837 9.5837 9.9159 9.9159 10.2555 10.2555 10.9867 10.9867 11.2529 11.2529 11.4454 11.4454 12.1982 12.1982 13.9745 13.9745 14.3985 14.3985 15.4123 15.4123 k = 0.2667 0.4619 0.2033 ( 4766 PWs) bands (ev): 2.2660 2.2660 3.4939 3.4939 3.6129 3.6129 4.2554 4.2554 4.8206 4.8206 4.9613 4.9613 5.3681 5.3681 5.5637 5.5637 6.1221 6.1221 6.3849 6.3849 6.7201 6.7201 6.9797 6.9797 7.1531 7.1531 7.2144 7.2144 7.2712 7.2712 7.4921 7.4921 7.6724 7.6724 7.8740 7.8740 8.1308 8.1308 8.2867 8.2867 8.4910 8.4910 8.7395 8.7395 8.8663 8.8663 9.0465 9.0465 9.2019 9.2019 9.5556 9.5556 9.8847 9.8847 10.2732 10.2732 11.0410 11.0410 11.3126 11.3126 11.5221 11.5221 12.2494 12.2494 13.9284 13.9284 14.3697 14.3697 15.3967 15.3967 k = 0.2600 0.4503 0.2033 ( 4766 PWs) bands (ev): 2.1622 2.1622 3.4177 3.4177 3.6459 3.6459 4.3088 4.3088 4.7942 4.7942 4.9628 4.9628 5.4154 5.4154 5.6066 5.6066 6.1136 6.1136 6.3851 6.3851 6.7152 6.7152 6.9895 6.9895 7.1688 7.1688 7.2035 7.2035 7.2736 7.2736 7.4919 7.4919 7.6809 7.6809 7.8832 7.8832 8.1343 8.1343 8.2926 8.2926 8.5097 8.5097 8.7421 8.7421 8.8846 8.8846 9.0510 9.0510 9.2084 9.2084 9.5326 9.5326 9.8581 9.8581 10.2996 10.2996 11.0973 11.0973 11.3722 11.3722 11.6021 11.6021 12.3029 12.3029 13.8803 13.8803 14.3394 14.3394 15.3684 15.3685 k = 0.2533 0.4388 0.2033 ( 4778 PWs) bands (ev): 2.0582 2.0582 3.3401 3.3401 3.6810 3.6810 4.3603 4.3603 4.7601 4.7601 4.9638 4.9638 5.4648 5.4648 5.6483 5.6483 6.1075 6.1075 6.3879 6.3879 6.7059 6.7059 6.9970 6.9970 7.1771 7.1771 7.2024 7.2024 7.2794 7.2794 7.4955 7.4955 7.6911 7.6911 7.8937 7.8937 8.1344 8.1344 8.2986 8.2986 8.5204 8.5204 8.7479 8.7479 8.9088 8.9088 9.0557 9.0557 9.2144 9.2144 9.5165 9.5165 9.8373 9.8373 10.3329 10.3329 11.1556 11.1556 11.4323 11.4323 11.6848 11.6848 12.3583 12.3583 13.8309 13.8309 14.3078 14.3078 15.3275 15.3275 k = 0.2467 0.4272 0.2033 ( 4778 PWs) bands (ev): 1.9545 1.9545 3.2620 3.2620 3.7173 3.7173 4.4087 4.4087 4.7213 4.7213 4.9640 4.9640 5.5134 5.5134 5.6877 5.6877 6.1036 6.1036 6.3934 6.3934 6.6941 6.6941 7.0028 7.0028 7.1720 7.1720 7.2126 7.2126 7.2919 7.2919 7.5031 7.5031 7.7029 7.7029 7.9056 7.9056 8.1298 8.1298 8.3068 8.3068 8.5211 8.5211 8.7596 8.7596 8.9365 8.9365 9.0610 9.0610 9.2204 9.2204 9.5088 9.5088 9.8233 9.8233 10.3716 10.3716 11.2157 11.2157 11.4930 11.4930 11.7698 11.7698 12.4156 12.4156 13.7811 13.7811 14.2753 14.2753 15.2758 15.2758 k = 0.2400 0.4157 0.2033 ( 4764 PWs) bands (ev): 1.8515 1.8515 3.1840 3.1840 3.7544 3.7544 4.4514 4.4514 4.6821 4.6821 4.9634 4.9634 5.5590 5.5590 5.7239 5.7239 6.1018 6.1018 6.4017 6.4017 6.6808 6.6808 7.0087 7.0087 7.1640 7.1640 7.2201 7.2201 7.3122 7.3122 7.5145 7.5145 7.7164 7.7164 7.9186 7.9186 8.1205 8.1205 8.3184 8.3184 8.5134 8.5134 8.7767 8.7767 8.9649 8.9649 9.0675 9.0675 9.2272 9.2272 9.5098 9.5098 9.8168 9.8168 10.4147 10.4147 11.2775 11.2775 11.5541 11.5541 11.8566 11.8566 12.4744 12.4744 13.7315 13.7315 14.2424 14.2424 15.2158 15.2158 k = 0.2333 0.4041 0.2033 ( 4764 PWs) bands (ev): 1.7495 1.7495 3.1063 3.1063 3.7921 3.7921 4.4808 4.4808 4.6511 4.6511 4.9618 4.9618 5.5993 5.5993 5.7561 5.7561 6.1020 6.1020 6.4126 6.4126 6.6671 6.6671 7.0163 7.0163 7.1560 7.1560 7.2231 7.2231 7.3369 7.3369 7.5301 7.5301 7.7313 7.7313 7.9322 7.9322 8.1075 8.1075 8.3333 8.3333 8.5009 8.5009 8.7967 8.7967 8.9913 8.9913 9.0768 9.0768 9.2356 9.2356 9.5193 9.5193 9.8185 9.8185 10.4617 10.4617 11.3408 11.3408 11.6155 11.6155 11.9452 11.9452 12.5348 12.5348 13.6831 13.6831 14.2092 14.2092 15.1498 15.1498 k = 0.2267 0.3926 0.2033 ( 4772 PWs) bands (ev): 1.6489 1.6489 3.0293 3.0293 3.8301 3.8301 4.4816 4.4816 4.6445 4.6445 4.9595 4.9595 5.6325 5.6325 5.7841 5.7841 6.1042 6.1042 6.4257 6.4257 6.6539 6.6539 7.0267 7.0267 7.1488 7.1488 7.2236 7.2236 7.3613 7.3613 7.5502 7.5502 7.7470 7.7470 7.9450 7.9450 8.0934 8.0934 8.3507 8.3507 8.4878 8.4878 8.8171 8.8171 9.0130 9.0130 9.0910 9.0910 9.2463 9.2463 9.5362 9.5362 9.8295 9.8295 10.5119 10.5119 11.4051 11.4051 11.6769 11.6769 12.0354 12.0354 12.5965 12.5965 13.6368 13.6368 14.1762 14.1762 15.0796 15.0796 k = 0.2200 0.3811 0.2033 ( 4768 PWs) bands (ev): 1.5498 1.5498 2.9531 2.9531 3.8683 3.8683 4.4505 4.4505 4.6663 4.6663 4.9564 4.9564 5.6572 5.6572 5.8077 5.8077 6.1085 6.1085 6.4403 6.4403 6.6422 6.6422 7.0402 7.0402 7.1428 7.1428 7.2230 7.2230 7.3816 7.3816 7.5749 7.5749 7.7630 7.7630 7.9538 7.9538 8.0832 8.0832 8.3692 8.3692 8.4782 8.4782 8.8364 8.8364 9.0294 9.0294 9.1107 9.1107 9.2603 9.2603 9.5582 9.5582 9.8511 9.8511 10.5649 10.5649 11.4701 11.4701 11.7378 11.7378 12.1272 12.1272 12.6595 12.6595 13.5934 13.5934 14.1437 14.1437 15.0063 15.0063 k = 0.2133 0.3695 0.2033 ( 4766 PWs) bands (ev): 1.4525 1.4525 2.8780 2.8780 3.9065 3.9065 4.4029 4.4029 4.7016 4.7016 4.9527 4.9527 5.6727 5.6727 5.8269 5.8269 6.1147 6.1147 6.4557 6.4557 6.6328 6.6328 7.0553 7.0553 7.1395 7.1395 7.2221 7.2221 7.3961 7.3961 7.6033 7.6033 7.7786 7.7786 7.9530 7.9530 8.0844 8.0844 8.3865 8.3865 8.4763 8.4763 8.8536 8.8536 9.0424 9.0424 9.1341 9.1341 9.2781 9.2781 9.5833 9.5833 9.8842 9.8842 10.6206 10.6206 11.5351 11.5351 11.7977 11.7977 12.2204 12.2204 12.7235 12.7235 13.5542 13.5542 14.1120 14.1120 14.9308 14.9308 k = 0.2067 0.3580 0.2033 ( 4766 PWs) bands (ev): 1.3571 1.3571 2.8040 2.8040 3.9445 3.9445 4.3487 4.3487 4.7410 4.7410 4.9484 4.9484 5.6791 5.6791 5.8416 5.8416 6.1224 6.1224 6.4714 6.4714 6.6266 6.6266 7.0687 7.0687 7.1415 7.1415 7.2216 7.2216 7.4049 7.4049 7.6326 7.6326 7.7931 7.7931 7.9396 7.9396 8.1021 8.1021 8.4009 8.4009 8.4851 8.4851 8.8686 8.8686 9.0546 9.0546 9.1587 9.1587 9.3003 9.3003 9.6095 9.6095 9.9297 9.9297 10.6785 10.6785 11.5993 11.5993 11.8560 11.8560 12.3149 12.3149 12.7887 12.7887 13.5203 13.5203 14.0814 14.0814 14.8535 14.8535 k = 0.2000 0.3464 0.2033 ( 4758 PWs) bands (ev): 1.2638 1.2638 2.7313 2.7313 3.9823 3.9823 4.2918 4.2918 4.7810 4.7810 4.9438 4.9438 5.6770 5.6770 5.8519 5.8519 6.1310 6.1310 6.4868 6.4868 6.6242 6.6242 7.0761 7.0761 7.1520 7.1520 7.2218 7.2218 7.4088 7.4088 7.6593 7.6593 7.8060 7.8060 7.9176 7.9176 8.1350 8.1350 8.4137 8.4137 8.5043 8.5043 8.8817 8.8817 9.0675 9.0675 9.1830 9.1830 9.3272 9.3272 9.6363 9.6363 9.9869 9.9869 10.7386 10.7386 11.6615 11.6615 11.9118 11.9118 12.4106 12.4106 12.8550 12.8550 13.4930 13.4930 14.0524 14.0524 14.7749 14.7749 k = 0.1933 0.3349 0.2033 ( 4766 PWs) bands (ev): 1.1727 1.1727 2.6601 2.6601 4.0193 4.0193 4.2339 4.2339 4.8200 4.8200 4.9391 4.9391 5.6678 5.6678 5.8579 5.8579 6.1399 6.1399 6.5016 6.5016 6.6257 6.6257 7.0769 7.0769 7.1693 7.1693 7.2242 7.2242 7.4091 7.4091 7.6801 7.6801 7.8155 7.8155 7.8931 7.8931 8.1792 8.1792 8.4289 8.4289 8.5307 8.5307 8.8935 8.8935 9.0818 9.0818 9.2067 9.2067 9.3581 9.3581 9.6646 9.6646 10.0549 10.0549 10.8007 10.8007 11.7205 11.7205 11.9645 11.9645 12.5073 12.5073 12.9227 12.9227 13.4737 13.4737 14.0253 14.0253 14.6953 14.6953 k = 0.1867 0.3233 0.2033 ( 4766 PWs) bands (ev): 1.0839 1.0839 2.5905 2.5905 4.0542 4.0542 4.1771 4.1771 4.8562 4.8562 4.9357 4.9357 5.6527 5.6527 5.8600 5.8600 6.1483 6.1483 6.5157 6.5157 6.6310 6.6310 7.0741 7.0741 7.1860 7.1860 7.2320 7.2320 7.4069 7.4069 7.6936 7.6936 7.8158 7.8158 7.8755 7.8755 8.2304 8.2304 8.4501 8.4501 8.5621 8.5621 8.9049 8.9049 9.0975 9.0975 9.2305 9.2305 9.3916 9.3916 9.6959 9.6959 10.1320 10.1320 10.8646 10.8646 11.7747 11.7747 12.0134 12.0134 12.6045 12.6045 12.9919 12.9919 13.4640 13.4640 14.0005 14.0005 14.6151 14.6151 k = 0.1800 0.3118 0.2033 ( 4762 PWs) bands (ev): 0.9975 0.9975 2.5225 2.5225 4.0771 4.0771 4.1321 4.1321 4.8849 4.8849 4.9381 4.9381 5.6329 5.6329 5.8586 5.8586 6.1557 6.1557 6.5293 6.5293 6.6396 6.6396 7.0701 7.0701 7.1952 7.1952 7.2483 7.2483 7.4034 7.4034 7.6996 7.6996 7.7997 7.7997 7.8741 7.8741 8.2823 8.2823 8.4800 8.4800 8.5983 8.5983 8.9164 8.9164 9.1146 9.1146 9.2554 9.2554 9.4258 9.4258 9.7326 9.7326 10.2168 10.2168 10.9303 10.9303 11.8226 11.8226 12.0578 12.0578 12.7019 12.7019 13.0630 13.0630 13.4650 13.4650 13.9784 13.9784 14.5348 14.5348 k = 0.1733 0.3002 0.2033 ( 4766 PWs) bands (ev): 0.9136 0.9136 2.4562 2.4562 4.0447 4.0447 4.1421 4.1421 4.8964 4.8964 4.9557 4.9557 5.6095 5.6095 5.8542 5.8542 6.1616 6.1616 6.5425 6.5425 6.6507 6.6507 7.0660 7.0660 7.1982 7.1982 7.2692 7.2692 7.3998 7.3998 7.6981 7.6981 7.7760 7.7760 7.8831 7.8831 8.3285 8.3285 8.5189 8.5189 8.6407 8.6407 8.9286 8.9286 9.1331 9.1331 9.2829 9.2829 9.4584 9.4584 9.7768 9.7768 10.3078 10.3078 10.9975 10.9975 11.8626 11.8626 12.0974 12.0974 12.7990 12.7990 13.1355 13.1355 13.4783 13.4783 13.9593 13.9593 14.4551 14.4551 k = 0.1667 0.2887 0.2033 ( 4752 PWs) bands (ev): 0.8323 0.8323 2.3918 2.3918 3.9903 3.9903 4.1742 4.1742 4.8945 4.8945 4.9848 4.9848 5.5834 5.5834 5.8473 5.8473 6.1659 6.1659 6.5554 6.5554 6.6633 6.6633 7.0626 7.0626 7.1985 7.1985 7.2887 7.2887 7.3978 7.3978 7.6877 7.6877 7.7555 7.7555 7.8958 7.8958 8.3655 8.3655 8.5622 8.5622 8.6920 8.6920 8.9418 8.9418 9.1530 9.1530 9.3151 9.3151 9.4880 9.4880 9.8303 9.8303 10.4041 10.4041 11.0662 11.0662 11.8937 11.8937 12.1319 12.1319 12.8957 12.8957 13.2078 13.2078 13.5058 13.5058 13.9437 13.9437 14.3767 14.3767 k = 0.1600 0.2771 0.2033 ( 4742 PWs) bands (ev): 0.7538 0.7538 2.3294 2.3294 3.9343 3.9343 4.2082 4.2082 4.8882 4.8882 5.0163 5.0163 5.5557 5.5557 5.8385 5.8385 6.1685 6.1685 6.5679 6.5679 6.6764 6.6764 7.0604 7.0604 7.1977 7.1977 7.3025 7.3025 7.3996 7.3996 7.6675 7.6675 7.7436 7.7436 7.9102 7.9102 8.3944 8.3944 8.6032 8.6032 8.7517 8.7517 8.9565 8.9565 9.1744 9.1744 9.3547 9.3547 9.5140 9.5140 9.8934 9.8934 10.5047 10.5047 11.1361 11.1361 11.9155 11.9155 12.1612 12.1612 12.9918 12.9918 13.2760 13.2760 13.5503 13.5503 13.9320 13.9320 14.3007 14.3007 k = 0.1533 0.2656 0.2033 ( 4744 PWs) bands (ev): 0.6779 0.6779 2.2689 2.2689 3.8788 3.8788 4.2419 4.2419 4.8803 4.8803 5.0475 5.0475 5.5270 5.5270 5.8281 5.8281 6.1694 6.1694 6.5800 6.5800 6.6893 6.6893 7.0596 7.0596 7.1964 7.1964 7.3084 7.3084 7.4068 7.4068 7.6408 7.6408 7.7395 7.7395 7.9261 7.9261 8.4176 8.4176 8.6390 8.6390 8.8134 8.8134 8.9735 8.9735 9.1971 9.1971 9.4047 9.4047 9.5376 9.5376 9.9659 9.9659 10.6086 10.6086 11.2068 11.2068 11.9287 11.9287 12.1852 12.1852 13.0871 13.0871 13.3347 13.3347 13.6147 13.6147 13.9248 13.9248 14.2285 14.2285 k = 0.1467 0.2540 0.2033 ( 4732 PWs) bands (ev): 0.6049 0.6049 2.2105 2.2105 3.8244 3.8244 4.2748 4.2748 4.8716 4.8716 5.0776 5.0776 5.4981 5.4981 5.8165 5.8165 6.1687 6.1687 6.5913 6.5913 6.7012 6.7012 7.0603 7.0603 7.1950 7.1950 7.3073 7.3073 7.4185 7.4185 7.6120 7.6120 7.7402 7.7402 7.9436 7.9436 8.4369 8.4369 8.6703 8.6703 8.8683 8.8683 8.9938 8.9938 9.2205 9.2205 9.4648 9.4648 9.5637 9.5637 10.0464 10.0464 10.7149 10.7149 11.2778 11.2778 11.9351 11.9351 12.2043 12.2043 13.1807 13.1807 13.3803 13.3803 13.6992 13.6992 13.9230 13.9230 14.1619 14.1619 k = 0.1400 0.2425 0.2033 ( 4732 PWs) bands (ev): 0.5347 0.5347 2.1543 2.1543 3.7715 3.7715 4.3066 4.3066 4.8626 4.8626 5.1061 5.1061 5.4696 5.4696 5.8041 5.8041 6.1665 6.1665 6.6015 6.6015 6.7115 6.7115 7.0627 7.0627 7.1933 7.1933 7.3022 7.3022 7.4322 7.4322 7.5831 7.5831 7.7444 7.7444 7.9628 7.9628 8.4535 8.4535 8.6982 8.6982 8.9104 8.9104 9.0178 9.0178 9.2437 9.2437 9.5198 9.5198 9.6105 9.6105 10.1337 10.1337 10.8226 10.8226 11.3485 11.3485 11.9373 11.9373 12.2187 12.2187 13.2698 13.2698 13.4137 13.4137 13.7987 13.7987 13.9279 13.9279 14.1042 14.1042 k = 0.1333 0.2309 0.2033 ( 4736 PWs) bands (ev): 0.4675 0.4675 2.1002 2.1002 3.7202 3.7202 4.3372 4.3372 4.8535 4.8535 5.1327 5.1327 5.4423 5.4423 5.7912 5.7912 6.1627 6.1627 6.6103 6.6103 6.7198 6.7198 7.0663 7.0663 7.1914 7.1914 7.2956 7.2956 7.4462 7.4462 7.5556 7.5556 7.7514 7.7514 7.9838 7.9838 8.4678 8.4678 8.7236 8.7236 8.9403 8.9403 9.0438 9.0438 9.2661 9.2661 9.5488 9.5488 9.6989 9.6989 10.2262 10.2262 10.9302 10.9302 11.4175 11.4175 11.9389 11.9389 12.2291 12.2291 13.3458 13.3458 13.4415 13.4415 13.8996 13.8996 13.9425 13.9425 14.0653 14.0653 k = 0.1267 0.2194 0.2033 ( 4724 PWs) bands (ev): 0.4033 0.4033 2.0485 2.0485 3.6706 3.6706 4.3662 4.3662 4.8444 4.8444 5.1570 5.1570 5.4167 5.4167 5.7780 5.7780 6.1577 6.1577 6.6176 6.6176 6.7258 6.7258 7.0708 7.0708 7.1889 7.1889 7.2897 7.2897 7.4589 7.4589 7.5310 7.5310 7.7606 7.7606 8.0066 8.0066 8.4801 8.4801 8.7466 8.7466 8.9620 8.9620 9.0689 9.0689 9.2874 9.2874 9.5639 9.5639 9.8140 9.8140 10.3227 10.3227 11.0362 11.0362 11.4831 11.4831 11.9446 11.9446 12.2370 12.2370 13.3853 13.3853 13.4833 13.4833 13.9491 13.9491 13.9688 13.9688 14.0961 14.0961 k = 0.1200 0.2078 0.2033 ( 4716 PWs) bands (ev): 0.3421 0.3421 1.9990 1.9990 3.6230 3.6230 4.3935 4.3935 4.8355 4.8355 5.1785 5.1785 5.3939 5.3939 5.7648 5.7648 6.1513 6.1513 6.6232 6.6232 6.7295 6.7295 7.0757 7.0757 7.1851 7.1851 7.2861 7.2861 7.4660 7.4660 7.5139 7.5139 7.7716 7.7716 8.0309 8.0309 8.4908 8.4908 8.7674 8.7674 8.9795 8.9795 9.0918 9.0918 9.3074 9.3074 9.5740 9.5740 9.9434 9.9434 10.4215 10.4215 11.1383 11.1383 11.5435 11.5435 11.9592 11.9592 12.2443 12.2443 13.3849 13.3849 13.5378 13.5378 13.9359 13.9359 14.0073 14.0073 14.2078 14.2078 k = 0.1133 0.1963 0.2033 ( 4720 PWs) bands (ev): 0.2840 0.2840 1.9520 1.9520 3.5774 3.5774 4.4189 4.4189 4.8270 4.8270 5.1963 5.1963 5.3751 5.3751 5.7518 5.7518 6.1437 6.1437 6.6273 6.6273 6.7309 6.7309 7.0803 7.0803 7.1796 7.1796 7.2861 7.2861 7.4587 7.4587 7.5134 7.5134 7.7844 7.7844 8.0566 8.0566 8.4998 8.4998 8.7858 8.7858 8.9951 8.9951 9.1122 9.1122 9.3262 9.3262 9.5818 9.5818 10.0807 10.0807 10.5213 10.5213 11.2339 11.2339 11.5973 11.5973 11.9871 11.9871 12.2540 12.2540 13.3641 13.3641 13.5828 13.5828 13.9138 13.9138 14.0637 14.0637 14.3385 14.3385 k = 0.1067 0.1848 0.2033 ( 4720 PWs) bands (ev): 0.2290 0.2290 1.9074 1.9074 3.5339 3.5339 4.4421 4.4421 4.8189 4.8189 5.2091 5.2091 5.3617 5.3617 5.7392 5.7392 6.1350 6.1350 6.6298 6.6298 6.7302 6.7302 7.0841 7.0841 7.1722 7.1722 7.2903 7.2903 7.4415 7.4415 7.5251 7.5251 7.7986 7.7986 8.0832 8.0832 8.5074 8.5074 8.8017 8.8017 9.0100 9.0100 9.1306 9.1306 9.3440 9.3440 9.5881 9.5881 10.2208 10.2208 10.6205 10.6205 11.3205 11.3205 11.6446 11.6446 12.0302 12.0302 12.2704 12.2704 13.3317 13.3317 13.6106 13.6106 13.8951 13.8951 14.1321 14.1321 14.4699 14.4699 k = 0.1000 0.1732 0.2033 ( 4722 PWs) bands (ev): 0.1772 0.1772 1.8652 1.8652 3.4927 3.4927 4.4630 4.4630 4.8115 4.8115 5.2158 5.2158 5.3551 5.3551 5.7273 5.7273 6.1252 6.1252 6.6309 6.6309 6.7276 6.7276 7.0867 7.0867 7.1635 7.1635 7.2980 7.2980 7.4229 7.4229 7.5407 7.5407 7.8145 7.8145 8.1103 8.1103 8.5136 8.5136 8.8150 8.8150 9.0250 9.0250 9.1474 9.1474 9.3608 9.3608 9.5935 9.5935 10.3584 10.3584 10.7187 10.7187 11.3972 11.3972 11.6873 11.6873 12.0868 12.0868 12.2989 12.2989 13.2923 13.2923 13.6216 13.6216 13.8803 13.8803 14.2007 14.2007 14.5671 14.5671 k = 0.0933 0.1617 0.2033 ( 4718 PWs) bands (ev): 0.1285 0.1285 1.8256 1.8256 3.4537 3.4537 4.4815 4.4815 4.8048 4.8048 5.2161 5.2161 5.3557 5.3557 5.7162 5.7162 6.1146 6.1146 6.6309 6.6309 6.7233 6.7233 7.0880 7.0880 7.1541 7.1541 7.3081 7.3081 7.4058 7.4058 7.5577 7.5577 7.8321 7.8321 8.1375 8.1375 8.5185 8.5185 8.8255 8.8255 9.0405 9.0405 9.1629 9.1629 9.3767 9.3767 9.5982 9.5982 10.4859 10.4859 10.8171 10.8171 11.4666 11.4666 11.7256 11.7256 12.1538 12.1538 12.3450 12.3450 13.2492 13.2492 13.6190 13.6190 13.8675 13.8675 14.2511 14.2511 14.6023 14.6023 k = 0.0867 0.1501 0.2033 ( 4722 PWs) bands (ev): 0.0831 0.0831 1.7885 1.7885 3.4172 3.4172 4.4975 4.4975 4.7987 4.7987 5.2118 5.2118 5.3618 5.3618 5.7061 5.7061 6.1032 6.1032 6.6300 6.6300 6.7177 6.7177 7.0877 7.0877 7.1448 7.1448 7.3184 7.3184 7.3919 7.3919 7.5750 7.5750 7.8515 7.8515 8.1644 8.1644 8.5222 8.5222 8.8335 8.8335 9.0565 9.0565 9.1772 9.1772 9.3919 9.3919 9.6025 9.6025 10.5930 10.5930 10.9209 10.9209 11.5328 11.5328 11.7596 11.7596 12.2289 12.2289 12.4112 12.4112 13.2048 13.2048 13.6063 13.6063 13.8545 13.8545 14.2684 14.2684 14.6582 14.6582 k = 0.0800 0.1386 0.2033 ( 4726 PWs) bands (ev): 0.0409 0.0409 1.7541 1.7541 3.3831 3.3831 4.5108 4.5108 4.7934 4.7934 5.2052 5.2052 5.3712 5.3712 5.6973 5.6973 6.0911 6.0911 6.6284 6.6284 6.7110 6.7110 7.0859 7.0859 7.1363 7.1363 7.3253 7.3253 7.3841 7.3841 7.5921 7.5921 7.8729 7.8729 8.1906 8.1906 8.5247 8.5247 8.8390 8.8390 9.0729 9.0729 9.1905 9.1905 9.4064 9.4064 9.6065 9.6065 10.6703 10.6703 11.0354 11.0354 11.5970 11.5970 11.7933 11.7933 12.3121 12.3121 12.4954 12.4954 13.1609 13.1609 13.5867 13.5867 13.8391 13.8391 14.2569 14.2569 14.7405 14.7405 k = 0.0733 0.1270 0.2033 ( 4722 PWs) bands (ev): 0.0020 0.0020 1.7223 1.7223 3.3515 3.3515 4.5217 4.5217 4.7888 4.7888 5.1981 5.1981 5.3820 5.3820 5.6897 5.6897 6.0787 6.0787 6.6262 6.6262 6.7037 6.7037 7.0825 7.0825 7.1290 7.1290 7.3250 7.3250 7.3856 7.3856 7.6083 7.6083 7.8962 7.8962 8.2159 8.2159 8.5259 8.5259 8.8425 8.8425 9.0893 9.0893 9.2025 9.2025 9.4204 9.4204 9.6104 9.6104 10.7163 10.7163 11.1601 11.1601 11.6514 11.6514 11.8405 11.8405 12.4031 12.4031 12.5930 12.5930 13.1190 13.1190 13.5623 13.5623 13.8199 13.8199 14.2284 14.2284 14.8268 14.8268 k = 0.0667 0.1155 0.2033 ( 4718 PWs) bands (ev): -0.0336 -0.0336 1.6931 1.6931 3.3225 3.3225 4.5303 4.5303 4.7847 4.7847 5.1916 5.1916 5.3929 5.3929 5.6836 5.6836 6.0660 6.0660 6.6237 6.6237 6.6960 6.6960 7.0779 7.0779 7.1231 7.1231 7.3183 7.3183 7.3949 7.3949 7.6234 7.6234 7.9212 7.9212 8.2401 8.2401 8.5259 8.5259 8.8442 8.8442 9.1055 9.1055 9.2133 9.2133 9.4341 9.4341 9.6142 9.6142 10.7374 10.7374 11.2866 11.2866 11.6880 11.6880 11.9153 11.9153 12.5007 12.5007 12.6992 12.6992 13.0804 13.0804 13.5350 13.5350 13.7955 13.7955 14.1903 14.1903 14.8826 14.8826 k = 0.0600 0.1039 0.2033 ( 4710 PWs) bands (ev): -0.0659 -0.0659 1.6666 1.6666 3.2962 3.2962 4.5368 4.5368 4.7811 4.7811 5.1863 5.1863 5.4031 5.4031 5.6790 5.6790 6.0533 6.0533 6.6209 6.6209 6.6882 6.6882 7.0723 7.0723 7.1185 7.1185 7.3093 7.3093 7.4074 7.4074 7.6372 7.6372 7.9475 7.9475 8.2631 8.2631 8.5246 8.5246 8.8445 8.8445 9.1212 9.1212 9.2226 9.2226 9.4475 9.4475 9.6181 9.6181 10.7413 10.7413 11.4005 11.4005 11.7200 11.7200 12.0154 12.0154 12.6028 12.6028 12.8095 12.8095 13.0470 13.0470 13.5058 13.5058 13.7652 13.7652 14.1456 14.1456 14.8787 14.8787 k = 0.0533 0.0924 0.2033 ( 4704 PWs) bands (ev): -0.0948 -0.0948 1.6429 1.6429 3.2724 3.2724 4.5416 4.5416 4.7779 4.7779 5.1823 5.1823 5.4123 5.4123 5.6760 5.6760 6.0408 6.0408 6.6181 6.6181 6.6805 6.6805 7.0662 7.0662 7.1149 7.1149 7.3000 7.3000 7.4206 7.4206 7.6495 7.6495 7.9744 7.9744 8.2850 8.2850 8.5219 8.5219 8.8439 8.8439 9.1360 9.1360 9.2302 9.2302 9.4607 9.4607 9.6219 9.6219 10.7345 10.7345 11.4799 11.4799 11.7755 11.7755 12.1306 12.1306 12.7067 12.7067 12.9172 12.9172 13.0239 13.0239 13.4756 13.4756 13.7285 13.7285 14.0955 14.0955 14.8308 14.8308 k = 0.0467 0.0808 0.2033 ( 4712 PWs) bands (ev): -0.1203 -0.1203 1.6219 1.6219 3.2514 3.2514 4.5448 4.5448 4.7750 4.7750 5.1796 5.1796 5.4202 5.4202 5.6744 5.6744 6.0287 6.0287 6.6152 6.6152 6.6734 6.6734 7.0602 7.0602 7.1121 7.1121 7.2914 7.2914 7.4332 7.4332 7.6604 7.6604 8.0011 8.0011 8.3057 8.3057 8.5176 8.5176 8.8426 8.8426 9.1498 9.1498 9.2358 9.2358 9.4738 9.4738 9.6257 9.6257 10.7215 10.7215 11.5137 11.5137 11.8694 11.8694 12.2536 12.2536 12.8060 12.8060 12.9816 12.9816 13.0540 13.0540 13.4443 13.4443 13.6862 13.6862 14.0406 14.0406 14.7609 14.7609 k = 0.0400 0.0693 0.2033 ( 4710 PWs) bands (ev): -0.1425 -0.1425 1.6036 1.6036 3.2331 3.2331 4.5470 4.5470 4.7724 4.7724 5.1780 5.1780 5.4268 5.4268 5.6740 5.6740 6.0173 6.0173 6.6124 6.6124 6.6668 6.6668 7.0545 7.0545 7.1099 7.1099 7.2837 7.2837 7.4447 7.4447 7.6698 7.6698 8.0268 8.0268 8.3256 8.3256 8.5117 8.5117 8.8410 8.8410 9.1625 9.1625 9.2395 9.2395 9.4865 9.4865 9.6293 9.6293 10.7054 10.7054 11.5182 11.5182 11.9871 11.9871 12.3792 12.3792 12.8778 12.8778 13.0095 13.0095 13.1488 13.1488 13.4113 13.4113 13.6404 13.6404 13.9814 13.9814 14.6799 14.6799 k = 0.0333 0.0577 0.2033 ( 4694 PWs) bands (ev): -0.1613 -0.1613 1.5881 1.5881 3.2176 3.2176 4.5483 4.5483 4.7700 4.7700 5.1774 5.1774 5.4319 5.4319 5.6747 5.6747 6.0070 6.0070 6.6098 6.6098 6.6611 6.6611 7.0495 7.0495 7.1082 7.1082 7.2772 7.2772 7.4547 7.4547 7.6778 7.6778 8.0505 8.0505 8.3449 8.3449 8.5039 8.5039 8.8392 8.8392 9.1741 9.1741 9.2411 9.2411 9.4985 9.4985 9.6326 9.6326 10.6888 10.6888 11.5104 11.5104 12.1118 12.1118 12.5029 12.5029 12.8983 12.8983 13.0867 13.0867 13.2386 13.2386 13.3752 13.3752 13.5970 13.5970 13.9194 13.9194 14.5937 14.5937 k = 0.0267 0.0462 0.2033 ( 4698 PWs) bands (ev): -0.1767 -0.1767 1.5755 1.5755 3.2049 3.2049 4.5490 4.5490 4.7680 4.7680 5.1773 5.1773 5.4359 5.4359 5.6759 5.6759 5.9979 5.9979 6.6075 6.6075 6.6563 6.6563 7.0451 7.0451 7.1068 7.1068 7.2718 7.2718 7.4630 7.4630 7.6844 7.6844 8.0713 8.0713 8.3638 8.3638 8.4941 8.4941 8.8376 8.8376 9.1845 9.1845 9.2409 9.2409 9.5093 9.5093 9.6356 9.6356 10.6733 10.6733 11.4988 11.4988 12.2338 12.2338 12.6191 12.6191 12.9026 12.9026 13.1844 13.1844 13.3000 13.3000 13.3383 13.3383 13.5683 13.5683 13.8569 13.8569 14.5063 14.5063 k = 0.0200 0.0346 0.2033 ( 4684 PWs) bands (ev): -0.1887 -0.1887 1.5656 1.5656 3.1950 3.1950 4.5493 4.5493 4.7663 4.7663 5.1776 5.1776 5.4387 5.4387 5.6775 5.6775 5.9905 5.9905 6.6056 6.6056 6.6526 6.6526 7.0417 7.0417 7.1058 7.1058 7.2677 7.2677 7.4696 7.4696 7.6895 7.6895 8.0883 8.0883 8.3825 8.3825 8.4824 8.4824 8.8362 8.8362 9.1937 9.1937 9.2391 9.2391 9.5185 9.5185 9.6380 9.6380 10.6601 10.6601 11.4872 11.4872 12.3460 12.3460 12.7187 12.7187 12.9158 12.9158 13.2624 13.2624 13.2833 13.2833 13.3504 13.3504 13.5679 13.5679 13.7988 13.7988 14.4224 14.4224 k = 0.0133 0.0231 0.2033 ( 4682 PWs) bands (ev): -0.1972 -0.1972 1.5585 1.5585 3.1879 3.1879 4.5494 4.5494 4.7651 4.7651 5.1779 5.1779 5.4406 5.4406 5.6789 5.6789 5.9850 5.9850 6.6041 6.6041 6.6499 6.6499 7.0392 7.0392 7.1050 7.1050 7.2647 7.2647 7.4742 7.4742 7.6932 7.6932 8.1010 8.1010 8.4010 8.4010 8.4689 8.4689 8.8351 8.8351 9.2017 9.2017 9.2363 9.2363 9.5255 9.5255 9.6397 9.6397 10.6500 10.6500 11.4778 11.4778 12.4398 12.4398 12.7888 12.7888 12.9508 12.9508 13.2126 13.2126 13.3027 13.3027 13.4042 13.4042 13.5824 13.5824 13.7545 13.7545 14.3489 14.3489 k = 0.0067 0.0115 0.2033 ( 4688 PWs) bands (ev): -0.2024 -0.2024 1.5543 1.5543 3.1836 3.1836 4.5494 4.5494 4.7643 4.7643 5.1782 5.1782 5.4417 5.4417 5.6799 5.6799 5.9815 5.9815 6.6032 6.6032 6.6483 6.6483 7.0377 7.0377 7.1046 7.1046 7.2629 7.2629 7.4771 7.4771 7.6954 7.6954 8.1087 8.1087 8.4191 8.4191 8.4537 8.4537 8.8345 8.8345 9.2076 9.2076 9.2332 9.2332 9.5299 9.5299 9.6408 9.6408 10.6438 10.6438 11.4717 11.4717 12.5037 12.5037 12.8276 12.8276 12.9982 12.9982 13.1615 13.1615 13.2836 13.2836 13.4775 13.4775 13.5759 13.5759 13.7355 13.7355 14.2964 14.2964 k = 0.0000 0.0000 0.2033 ( 4672 PWs) bands (ev): -0.2041 -0.2041 1.5529 1.5529 3.1822 3.1822 4.5494 4.5494 4.7640 4.7640 5.1783 5.1783 5.4421 5.4421 5.6803 5.6803 5.9804 5.9804 6.6029 6.6029 6.6477 6.6477 7.0372 7.0372 7.1044 7.1044 7.2623 7.2623 7.4780 7.4780 7.6962 7.6962 8.1113 8.1113 8.4344 8.4344 8.4395 8.4395 8.8342 8.8342 9.2100 9.2100 9.2318 9.2318 9.5315 9.5315 9.6412 9.6412 10.6417 10.6417 11.4696 11.4696 12.5264 12.5264 12.8414 12.8414 13.0215 13.0215 13.1397 13.1397 13.2708 13.2708 13.5346 13.5346 13.5408 13.5408 13.7336 13.7336 14.2769 14.2769 k = 0.5000 0.2887 0.2033 ( 4764 PWs) bands (ev): 2.5270 2.5270 2.6966 2.6966 3.5697 3.5697 3.7944 3.7944 4.9152 4.9152 5.1745 5.1745 5.9740 5.9740 5.9798 5.9798 6.0736 6.0736 6.4943 6.4943 6.6742 6.6742 6.7737 6.7737 7.1595 7.1595 7.2538 7.2538 7.3571 7.3571 7.5223 7.5223 7.9347 7.9347 8.0535 8.0535 8.0769 8.0769 8.1143 8.1143 8.4131 8.4131 8.6393 8.6393 8.9788 8.9788 8.9928 8.9928 9.2555 9.2555 9.2946 9.2946 9.8243 9.8243 10.2290 10.2290 10.6336 10.6336 11.4488 11.4488 12.6506 12.6506 13.2379 13.2379 13.8170 13.8170 14.0649 14.0649 14.2739 14.2739 k = 0.5000 0.2887 0.1906 ( 4762 PWs) bands (ev): 2.5269 2.5269 2.6965 2.6965 3.5705 3.5705 3.7945 3.7945 4.9104 4.9104 5.1795 5.1795 5.9726 5.9726 5.9806 5.9806 6.0743 6.0743 6.4938 6.4938 6.6738 6.6738 6.7738 6.7738 7.1572 7.1572 7.2539 7.2539 7.3586 7.3586 7.5230 7.5230 7.9309 7.9309 8.0503 8.0503 8.0785 8.0785 8.1185 8.1185 8.4109 8.4109 8.6416 8.6416 8.9669 8.9669 9.0061 9.0061 9.2545 9.2545 9.2972 9.2972 9.8216 9.8216 10.2281 10.2281 10.6358 10.6358 11.4547 11.4547 12.6452 12.6452 13.2407 13.2407 13.8058 13.8058 14.0255 14.0255 14.3120 14.3120 k = 0.5000 0.2887 0.1779 ( 4766 PWs) bands (ev): 2.5265 2.5265 2.6961 2.6961 3.5730 3.5730 3.7946 3.7946 4.8972 4.8972 5.1934 5.1934 5.9694 5.9694 5.9820 5.9820 6.0764 6.0764 6.4924 6.4924 6.6726 6.6726 6.7741 6.7741 7.1507 7.1507 7.2536 7.2536 7.3631 7.3631 7.5250 7.5250 7.9202 7.9202 8.0433 8.0433 8.0815 8.0815 8.1296 8.1296 8.4050 8.4050 8.6478 8.6478 8.9517 8.9517 9.0253 9.0253 9.2519 9.2519 9.3046 9.3046 9.8138 9.8138 10.2259 10.2259 10.6421 10.6421 11.4723 11.4723 12.6296 12.6296 13.2483 13.2483 13.7733 13.7733 13.9456 13.9456 14.3878 14.3878 k = 0.5000 0.2887 0.1652 ( 4762 PWs) bands (ev): 2.5259 2.5259 2.6955 2.6955 3.5771 3.5771 3.7948 3.7948 4.8779 4.8779 5.2141 5.2141 5.9650 5.9650 5.9831 5.9831 6.0803 6.0803 6.4900 6.4900 6.6707 6.6707 6.7745 6.7745 7.1414 7.1414 7.2522 7.2522 7.3704 7.3704 7.5283 7.5283 7.9042 7.9042 8.0351 8.0351 8.0846 8.0846 8.1446 8.1446 8.3967 8.3967 8.6570 8.6570 8.9380 8.9380 9.0447 9.0447 9.2487 9.2487 9.3163 9.3163 9.8010 9.8010 10.2232 10.2232 10.6522 10.6522 11.5010 11.5010 12.6055 12.6055 13.2593 13.2593 13.7219 13.7219 13.8555 13.8555 14.4696 14.4696 k = 0.5000 0.2887 0.1525 ( 4752 PWs) bands (ev): 2.5250 2.5250 2.6947 2.6947 3.5828 3.5828 3.7950 3.7950 4.8548 4.8548 5.2391 5.2391 5.9591 5.9591 5.9837 5.9837 6.0863 6.0863 6.4866 6.4866 6.6682 6.6682 6.7749 6.7749 7.1303 7.1303 7.2491 7.2491 7.3798 7.3798 7.5329 7.5329 7.8848 7.8848 8.0268 8.0268 8.0874 8.0874 8.1608 8.1608 8.3879 8.3879 8.6677 8.6677 8.9259 8.9259 9.0628 9.0628 9.2453 9.2453 9.3322 9.3322 9.7836 9.7836 10.2210 10.2210 10.6651 10.6651 11.5398 11.5398 12.5749 12.5749 13.2715 13.2715 13.6548 13.6548 13.7642 13.7642 14.5422 14.5422 k = 0.5000 0.2887 0.1398 ( 4754 PWs) bands (ev): 2.5240 2.5240 2.6937 2.6937 3.5898 3.5898 3.7951 3.7951 4.8298 4.8298 5.2668 5.2668 5.9515 5.9515 5.9838 5.9838 6.0944 6.0944 6.4822 6.4822 6.6653 6.6653 6.7753 6.7753 7.1185 7.1185 7.2442 7.2442 7.3908 7.3908 7.5387 7.5387 7.8638 7.8638 8.0184 8.0184 8.0899 8.0899 8.1760 8.1760 8.3807 8.3807 8.6789 8.6789 8.9154 8.9154 9.0784 9.0784 9.2419 9.2419 9.3523 9.3523 9.7625 9.7625 10.2204 10.2204 10.6801 10.6801 11.5878 11.5878 12.5402 12.5402 13.2817 13.2817 13.5756 13.5756 13.6757 13.6757 14.5838 14.5838 k = 0.5000 0.2887 0.1271 ( 4758 PWs) bands (ev): 2.5228 2.5228 2.6926 2.6926 3.5980 3.5980 3.7950 3.7950 4.8042 4.8042 5.2961 5.2961 5.9419 5.9419 5.9837 5.9837 6.1048 6.1048 6.4767 6.4767 6.6622 6.6622 6.7755 6.7755 7.1068 7.1068 7.2378 7.2378 7.4025 7.4025 7.5451 7.5451 7.8427 7.8427 8.0100 8.0100 8.0921 8.0921 8.1875 8.1875 8.3778 8.3778 8.6899 8.6899 8.9063 8.9063 9.0904 9.0904 9.2387 9.2387 9.3763 9.3763 9.7385 9.7385 10.2222 10.2222 10.6964 10.6964 11.6438 11.6438 12.5035 12.5035 13.2851 13.2851 13.4896 13.4896 13.5930 13.5930 14.5856 14.5856 k = 0.5000 0.2887 0.1144 ( 4754 PWs) bands (ev): 2.5215 2.5215 2.6914 2.6914 3.6073 3.6073 3.7946 3.7946 4.7788 4.7788 5.3261 5.3261 5.9302 5.9302 5.9833 5.9833 6.1171 6.1171 6.4701 6.4701 6.6589 6.6589 6.7754 6.7754 7.0956 7.0956 7.2304 7.2304 7.4144 7.4144 7.5519 7.5519 7.8233 7.8233 8.0013 8.0013 8.0939 8.0939 8.1934 8.1934 8.3813 8.3813 8.7003 8.7003 8.8981 8.8981 9.0983 9.0983 9.2356 9.2356 9.4032 9.4032 9.7130 9.7130 10.2268 10.2268 10.7132 10.7132 11.7067 11.7067 12.4668 12.4668 13.2720 13.2720 13.4031 13.4031 13.5222 13.5222 14.5690 14.5690 k = 0.5000 0.2887 0.1017 ( 4768 PWs) bands (ev): 2.5202 2.5202 2.6902 2.6902 3.6174 3.6174 3.7939 3.7939 4.7544 4.7544 5.3563 5.3563 5.9165 5.9165 5.9829 5.9829 6.1312 6.1312 6.4625 6.4625 6.6557 6.6557 6.7751 6.7751 7.0853 7.0853 7.2224 7.2224 7.4261 7.4261 7.5579 7.5579 7.8068 7.8068 7.9922 7.9922 8.0954 8.0954 8.1928 8.1928 8.3921 8.3921 8.7099 8.7099 8.8905 8.8905 9.1023 9.1023 9.2325 9.2325 9.4317 9.4317 9.6874 9.6874 10.2342 10.2342 10.7298 10.7298 11.7754 11.7754 12.4320 12.4320 13.2284 13.2284 13.3217 13.3217 13.4742 13.4742 14.5478 14.5478 k = 0.5000 0.2887 0.0890 ( 4762 PWs) bands (ev): 2.5189 2.5189 2.6889 2.6889 3.6280 3.6280 3.7927 3.7927 4.7315 4.7315 5.3862 5.3862 5.9011 5.9011 5.9825 5.9825 6.1465 6.1465 6.4538 6.4538 6.6527 6.6527 6.7745 6.7745 7.0762 7.0762 7.2143 7.2143 7.4373 7.4373 7.5622 7.5622 7.7951 7.7951 7.9822 7.9822 8.0967 8.0967 8.1867 8.1867 8.4091 8.4091 8.7190 8.7190 8.8830 8.8830 9.1026 9.1026 9.2296 9.2296 9.4600 9.4600 9.6630 9.6630 10.2443 10.2443 10.7454 10.7454 11.8487 11.8487 12.4005 12.4005 13.1560 13.1560 13.2421 13.2421 13.4532 13.4532 14.5267 14.5267 k = 0.5000 0.2887 0.0762 ( 4766 PWs) bands (ev): 2.5177 2.5177 2.6877 2.6877 3.6388 3.6388 3.7911 3.7911 4.7107 4.7107 5.4152 5.4152 5.8844 5.8844 5.9822 5.9822 6.1625 6.1625 6.4443 6.4443 6.6499 6.6499 6.7735 6.7735 7.0684 7.0684 7.2063 7.2063 7.4482 7.4482 7.5635 7.5635 7.7891 7.7891 7.9712 7.9712 8.0977 8.0977 8.1773 8.1773 8.4300 8.4300 8.7278 8.7278 8.8751 8.8751 9.0998 9.0998 9.2269 9.2269 9.4860 9.4860 9.6414 9.6414 10.2565 10.2565 10.7596 10.7596 11.9257 11.9257 12.3736 12.3736 13.0723 13.0723 13.1601 13.1601 13.4486 13.4486 14.5076 14.5076 k = 0.5000 0.2887 0.0635 ( 4758 PWs) bands (ev): 2.5165 2.5165 2.6866 2.6866 3.6494 3.6494 3.7890 3.7890 4.6923 4.6923 5.4428 5.4428 5.8670 5.8670 5.9820 5.9820 6.1787 6.1787 6.4343 6.4343 6.6476 6.6476 6.7724 6.7724 7.0619 7.0619 7.1989 7.1989 7.4588 7.4588 7.5613 7.5613 7.7897 7.7897 7.9587 7.9587 8.0986 8.0986 8.1667 8.1667 8.4524 8.4524 8.7367 8.7367 8.8663 8.8663 9.0949 9.0949 9.2245 9.2245 9.5077 9.5077 9.6244 9.6244 10.2701 10.2701 10.7717 10.7717 12.0051 12.0051 12.3522 12.3522 12.9871 12.9871 13.0784 13.0784 13.4506 13.4506 14.4910 14.4910 k = 0.5000 0.2887 0.0508 ( 4754 PWs) bands (ev): 2.5155 2.5155 2.6857 2.6857 3.6593 3.6593 3.7865 3.7865 4.6767 4.6767 5.4683 5.4683 5.8498 5.8498 5.9817 5.9817 6.1944 6.1944 6.4241 6.4241 6.6457 6.6457 6.7713 6.7713 7.0569 7.0569 7.1924 7.1924 7.4692 7.4692 7.5556 7.5556 7.7962 7.7962 7.9448 7.9448 8.0993 8.0993 8.1564 8.1564 8.4743 8.4743 8.7463 8.7463 8.8562 8.8562 9.0886 9.0886 9.2225 9.2225 9.5230 9.5230 9.6136 9.6136 10.2840 10.2840 10.7814 10.7814 12.0853 12.0853 12.3368 12.3368 12.9039 12.9039 13.0017 13.0017 13.4547 13.4547 14.4773 14.4773 k = 0.5000 0.2887 0.0381 ( 4744 PWs) bands (ev): 2.5147 2.5147 2.6849 2.6849 3.6681 3.6681 3.7840 3.7840 4.6643 4.6643 5.4905 5.4905 5.8338 5.8338 5.9816 5.9816 6.2086 6.2086 6.4144 6.4144 6.6442 6.6442 6.7701 6.7701 7.0531 7.0531 7.1870 7.1870 7.4797 7.4797 7.5472 7.5472 7.8075 7.8075 7.9294 7.9294 8.0998 8.0998 8.1475 8.1475 8.4937 8.4937 8.7570 8.7570 8.8444 8.8444 9.0822 9.0822 9.2209 9.2209 9.5305 9.5305 9.6098 9.6098 10.2969 10.2969 10.7886 10.7886 12.1640 12.1640 12.3272 12.3272 12.8240 12.8240 12.9351 12.9351 13.4588 13.4588 14.4667 14.4667 k = 0.5000 0.2887 0.0254 ( 4744 PWs) bands (ev): 2.5141 2.5141 2.6843 2.6843 3.6750 3.6750 3.7816 3.7816 4.6552 4.6552 5.5082 5.5082 5.8205 5.8205 5.9815 5.9815 6.2202 6.2202 6.4061 6.4061 6.6431 6.6431 6.7692 6.7692 7.0505 7.0505 7.1830 7.1830 7.4901 7.4901 7.5373 7.5373 7.8216 7.8216 7.9134 7.9134 8.1002 8.1002 8.1408 8.1408 8.5090 8.5090 8.7690 8.7690 8.8312 8.8312 9.0768 9.0768 9.2198 9.2198 9.5322 9.5322 9.6111 9.6111 10.3075 10.3075 10.7934 10.7934 12.2361 12.2361 12.3230 12.3230 12.7507 12.7507 12.8836 12.8836 13.4622 13.4622 14.4591 14.4591 k = 0.5000 0.2887 0.0127 ( 4746 PWs) bands (ev): 2.5137 2.5137 2.6840 2.6840 3.6796 3.6796 3.7799 3.7799 4.6497 4.6497 5.5198 5.5198 5.8116 5.8116 5.9814 5.9814 6.2280 6.2280 6.4004 6.4004 6.6425 6.6425 6.7686 6.7686 7.0490 7.0490 7.1805 7.1805 7.5003 7.5003 7.5271 7.5271 7.8354 7.8354 7.8987 7.8987 8.1004 8.1004 8.1366 8.1366 8.5188 8.5188 8.7818 8.7818 8.8175 8.8175 9.0731 9.0731 9.2191 9.2191 9.5315 9.5315 9.6136 9.6136 10.3144 10.3144 10.7962 10.7962 12.2888 12.2888 12.3258 12.3258 12.6929 12.6929 12.8511 12.8511 13.4644 13.4644 14.4545 14.4545 k = 0.5000 0.2887-0.0000 ( 4742 PWs) bands (ev): 2.5136 2.5136 2.6838 2.6838 3.6812 3.6812 3.7793 3.7793 4.6478 4.6478 5.5238 5.5238 5.8084 5.8084 5.9814 5.9814 6.2307 6.2307 6.3983 6.3983 6.6423 6.6423 6.7684 6.7684 7.0485 7.0485 7.1797 7.1797 7.5066 7.5066 7.5207 7.5207 7.8422 7.8422 7.8917 7.8917 8.1005 8.1005 8.1352 8.1352 8.5221 8.5221 8.7903 8.7903 8.8086 8.8086 9.0718 9.0718 9.2188 9.2188 9.5311 9.5311 9.6147 9.6147 10.3168 10.3168 10.7970 10.7970 12.3036 12.3036 12.3342 12.3342 12.6691 12.6691 12.8400 12.8400 13.4651 13.4651 14.4530 14.4530 k = 0.3333 0.5774-0.0000 ( 4746 PWs) bands (ev): 2.9293 2.9293 3.5909 3.5909 3.6475 3.6475 4.2703 4.2703 4.6586 4.6586 4.7395 4.7395 4.9052 4.9052 5.6359 5.6359 6.3563 6.3563 6.4280 6.4280 6.5966 6.5966 7.0530 7.0530 7.0717 7.0717 7.2882 7.2882 7.4502 7.4502 7.4872 7.4872 7.5807 7.5807 7.8254 7.8254 7.8521 7.8521 8.2734 8.2734 8.3601 8.3601 8.3718 8.3718 8.8625 8.8625 9.0199 9.0199 9.2743 9.2743 9.6910 9.6910 9.8239 9.8239 10.0906 10.0906 10.8410 10.8410 11.5819 11.5819 11.8095 11.8095 12.2593 12.2593 13.2341 13.2341 14.1092 14.1092 14.3200 14.3200 k = 0.3333 0.5774 0.0127 ( 4743 PWs) bands (ev): 2.9294 2.9294 3.5910 3.5910 3.6476 3.6476 4.2670 4.2670 4.6630 4.6630 4.7394 4.7394 4.9055 4.9055 5.6345 5.6345 6.3559 6.3559 6.4277 6.4277 6.5957 6.5957 7.0530 7.0530 7.0710 7.0710 7.2881 7.2881 7.4476 7.4476 7.4881 7.4881 7.5825 7.5825 7.8245 7.8245 7.8556 7.8556 8.2696 8.2696 8.3598 8.3598 8.3775 8.3775 8.8631 8.8631 9.0202 9.0202 9.2724 9.2724 9.6942 9.6942 9.8230 9.8230 10.0924 10.0924 10.8426 10.8426 11.5733 11.5733 11.8006 11.8006 12.2556 12.2556 13.2407 13.2407 14.1203 14.1203 14.3307 14.3307 k = 0.3333 0.5774 0.0254 ( 4737 PWs) bands (ev): 2.9299 2.9299 3.5912 3.5912 3.6478 3.6478 4.2574 4.2574 4.6757 4.6757 4.7391 4.7391 4.9064 4.9064 5.6301 5.6301 6.3550 6.3550 6.4268 6.4268 6.5931 6.5931 7.0528 7.0528 7.0687 7.0687 7.2877 7.2877 7.4404 7.4404 7.4905 7.4905 7.5876 7.5876 7.8230 7.8230 7.8648 7.8648 8.2599 8.2599 8.3591 8.3591 8.3923 8.3923 8.8645 8.8645 9.0211 9.0211 9.2669 9.2669 9.7037 9.7037 9.8205 9.8205 10.0976 10.0976 10.8474 10.8474 11.5480 11.5480 11.7747 11.7747 12.2448 12.2448 13.2603 13.2603 14.1531 14.1531 14.3625 14.3625 k = 0.3333 0.5774 0.0381 ( 4737 PWs) bands (ev): 2.9307 2.9307 3.5916 3.5916 3.6482 3.6482 4.2430 4.2430 4.6952 4.6952 4.7386 4.7386 4.9083 4.9083 5.6229 5.6229 6.3534 6.3534 6.4253 6.4253 6.5889 6.5889 7.0526 7.0526 7.0651 7.0651 7.2871 7.2871 7.4299 7.4299 7.4944 7.4944 7.5947 7.5947 7.8221 7.8221 7.8782 7.8782 8.2478 8.2478 8.3578 8.3578 8.4131 8.4131 8.8668 8.8668 9.0228 9.0228 9.2582 9.2582 9.7192 9.7192 9.8163 9.8163 10.1065 10.1065 10.8550 10.8550 11.5075 11.5075 11.7334 11.7334 12.2272 12.2272 13.2921 13.2921 14.2061 14.2061 14.4137 14.4137 k = 0.3333 0.5774 0.0508 ( 4743 PWs) bands (ev): 2.9318 2.9318 3.5921 3.5921 3.6486 3.6486 4.2252 4.2252 4.7193 4.7193 4.7379 4.7379 4.9115 4.9115 5.6128 5.6128 6.3512 6.3512 6.4234 6.4234 6.5833 6.5833 7.0525 7.0525 7.0603 7.0603 7.2864 7.2864 7.4174 7.4174 7.4995 7.4995 7.6025 7.6025 7.8222 7.8222 7.8948 7.8948 8.2351 8.2351 8.3561 8.3561 8.4374 8.4374 8.8696 8.8696 9.0251 9.0251 9.2468 9.2468 9.7401 9.7401 9.8105 9.8105 10.1194 10.1194 10.8654 10.8654 11.4539 11.4539 11.6792 11.6792 12.2039 12.2039 13.3350 13.3350 14.2770 14.2770 14.4820 14.4820 k = 0.3333 0.5774 0.0635 ( 4752 PWs) bands (ev): 2.9330 2.9330 3.5926 3.5926 3.6492 3.6492 4.2056 4.2056 4.7371 4.7371 4.7460 4.7460 4.9169 4.9169 5.5997 5.5997 6.3486 6.3486 6.4210 6.4210 6.5766 6.5766 7.0524 7.0524 7.0548 7.0548 7.2856 7.2856 7.4038 7.4038 7.5055 7.5055 7.6103 7.6103 7.8233 7.8233 7.9140 7.9140 8.2229 8.2229 8.3540 8.3540 8.4642 8.4642 8.8725 8.8725 9.0282 9.0282 9.2332 9.2332 9.7662 9.7662 9.8034 9.8034 10.1364 10.1364 10.8780 10.8780 11.3894 11.3894 11.6145 11.6145 12.1760 12.1760 13.3877 13.3877 14.3634 14.3634 14.5650 14.5650 k = 0.3333 0.5774 0.0762 ( 4752 PWs) bands (ev): 2.9345 2.9345 3.5933 3.5933 3.6498 3.6498 4.1852 4.1852 4.7361 4.7361 4.7726 4.7726 4.9258 4.9258 5.5837 5.5837 6.3456 6.3456 6.4184 6.4184 6.5689 6.5689 7.0487 7.0487 7.0526 7.0526 7.2849 7.2849 7.3899 7.3899 7.5121 7.5121 7.6175 7.6175 7.8253 7.8253 7.9352 7.9352 8.2115 8.2115 8.3516 8.3516 8.4926 8.4926 8.8752 8.8752 9.0322 9.0322 9.2179 9.2179 9.7953 9.7953 9.7969 9.7969 10.1580 10.1580 10.8924 10.8924 11.3165 11.3165 11.5419 11.5419 12.1448 12.1448 13.4488 13.4488 14.4626 14.4626 14.6597 14.6597 k = 0.3333 0.5774 0.0890 ( 4752 PWs) bands (ev): 2.9361 2.9361 3.5940 3.5940 3.6505 3.6505 4.1649 4.1649 4.7351 4.7351 4.7965 4.7965 4.9400 4.9400 5.5648 5.5648 6.3423 6.3423 6.4155 6.4155 6.5608 6.5608 7.0424 7.0424 7.0531 7.0531 7.2842 7.2842 7.3762 7.3762 7.5190 7.5190 7.6239 7.6239 7.8278 7.8278 7.9577 7.9577 8.2011 8.2011 8.3489 8.3489 8.5220 8.5220 8.8775 8.8775 9.0369 9.0369 9.2015 9.2015 9.7863 9.7863 9.8318 9.8318 10.1843 10.1843 10.9079 10.9079 11.2376 11.2376 11.4635 11.4635 12.1118 12.1118 13.5171 13.5171 14.5718 14.5718 14.7633 14.7633 k = 0.3333 0.5774 0.1017 ( 4752 PWs) bands (ev): 2.9378 2.9378 3.5948 3.5948 3.6512 3.6512 4.1455 4.1455 4.7340 4.7340 4.8153 4.8153 4.9612 4.9612 5.5430 5.5430 6.3389 6.3389 6.4125 6.4125 6.5525 6.5525 7.0360 7.0360 7.0538 7.0538 7.2836 7.2836 7.3629 7.3629 7.5260 7.5260 7.6295 7.6295 7.8307 7.8307 7.9808 7.9808 8.1919 8.1919 8.3459 8.3459 8.5518 8.5518 8.8791 8.8791 9.0422 9.0422 9.1843 9.1843 9.7770 9.7770 9.8708 9.8708 10.2155 10.2155 10.9239 10.9239 11.1548 11.1548 11.3815 11.3815 12.0784 12.0784 13.5913 13.5913 14.6883 14.6883 14.8727 14.8727 k = 0.3333 0.5774 0.1144 ( 4752 PWs) bands (ev): 2.9396 2.9396 3.5956 3.5956 3.6519 3.6519 4.1275 4.1275 4.7329 4.7329 4.8284 4.8284 4.9894 4.9894 5.5184 5.5184 6.3354 6.3354 6.4095 6.4095 6.5444 6.5444 7.0300 7.0300 7.0547 7.0547 7.2833 7.2833 7.3505 7.3505 7.5327 7.5327 7.6343 7.6343 7.8337 7.8337 8.0037 8.0037 8.1837 8.1837 8.3428 8.3428 8.5813 8.5813 8.8800 8.8800 9.0480 9.0480 9.1668 9.1668 9.7677 9.7677 9.9133 9.9133 10.2516 10.2516 10.9394 10.9394 11.0699 11.0699 11.2979 11.2979 12.0456 12.0456 13.6704 13.6704 14.8094 14.8094 14.9829 14.9829 k = 0.3333 0.5774 0.1271 ( 4749 PWs) bands (ev): 2.9412 2.9412 3.5963 3.5963 3.6526 3.6526 4.1112 4.1112 4.7319 4.7319 4.8368 4.8368 5.0233 5.0233 5.4912 5.4912 6.3320 6.3320 6.4066 6.4066 6.5367 6.5367 7.0244 7.0244 7.0559 7.0559 7.2831 7.2831 7.3390 7.3390 7.5389 7.5389 7.6382 7.6382 7.8367 7.8367 8.0257 8.0257 8.1767 8.1767 8.3396 8.3396 8.6099 8.6099 8.8801 8.8801 9.0538 9.0538 9.1494 9.1494 9.7588 9.7588 9.9590 9.9590 10.2926 10.2926 10.9529 10.9529 10.9849 10.9849 11.2152 11.2152 12.0146 12.0146 13.7534 13.7534 14.9320 14.9320 15.0118 15.0118 k = 0.3333 0.5774 0.1398 ( 4737 PWs) bands (ev): 2.9428 2.9428 3.5970 3.5970 3.6533 3.6533 4.0969 4.0969 4.7309 4.7309 4.8419 4.8419 5.0608 5.0608 5.4615 5.4615 6.3289 6.3289 6.4039 6.4039 6.5298 6.5298 7.0194 7.0194 7.0572 7.0572 7.2832 7.2832 7.3286 7.3286 7.5445 7.5445 7.6415 7.6415 7.8395 7.8395 8.0460 8.0460 8.1707 8.1707 8.3364 8.3364 8.6367 8.6367 8.8797 8.8797 9.0594 9.0594 9.1326 9.1326 9.7506 9.7506 10.0070 10.0070 10.3383 10.3383 10.9016 10.9016 10.9609 10.9609 11.1374 11.1374 11.9864 11.9864 13.8393 13.8393 14.9180 14.9180 15.0527 15.0527 k = 0.3333 0.5774 0.1525 ( 4725 PWs) bands (ev): 2.9441 2.9441 3.5976 3.5976 3.6538 3.6538 4.0850 4.0850 4.7301 4.7301 4.8449 4.8449 5.1003 5.1003 5.4297 5.4297 6.3262 6.3262 6.4016 6.4016 6.5239 6.5239 7.0152 7.0152 7.0584 7.0584 7.2835 7.2835 7.3196 7.3196 7.5492 7.5492 7.6440 7.6440 7.8419 7.8419 8.0640 8.0640 8.1659 8.1659 8.3335 8.3335 8.6610 8.6610 8.8789 8.8789 9.0645 9.0645 9.1170 9.1170 9.7434 9.7434 10.0563 10.0563 10.3880 10.3880 10.8223 10.8223 10.9537 10.9537 11.0752 11.0752 11.9619 11.9619 13.9267 13.9267 14.8199 14.8199 15.1669 15.1669 k = 0.3333 0.5774 0.1652 ( 4737 PWs) bands (ev): 2.9452 2.9452 3.5981 3.5981 3.6543 3.6543 4.0755 4.0755 4.7294 4.7294 4.8468 4.8468 5.1403 5.1403 5.3962 5.3962 6.3239 6.3239 6.3997 6.3997 6.5191 6.5191 7.0118 7.0118 7.0596 7.0596 7.2842 7.2842 7.3120 7.3120 7.5531 7.5531 7.6460 7.6460 7.8439 7.8439 8.0789 8.0789 8.1621 8.1621 8.3308 8.3308 8.6816 8.6816 8.8780 8.8780 9.0688 9.0688 9.1035 9.1035 9.7376 9.7376 10.1046 10.1046 10.4407 10.4407 10.7498 10.7498 10.9149 10.9149 11.0462 11.0462 11.9418 11.9418 14.0136 14.0136 14.7240 14.7240 15.2688 15.2688 k = 0.3333 0.5774 0.1779 ( 4737 PWs) bands (ev): 2.9461 2.9461 3.5984 3.5984 3.6547 3.6547 4.0686 4.0686 4.7289 4.7289 4.8478 4.8478 5.1793 5.1793 5.3622 5.3622 6.3222 6.3222 6.3983 6.3983 6.5157 6.5157 7.0093 7.0093 7.0605 7.0605 7.2850 7.2850 7.3061 7.3061 7.5559 7.5559 7.6473 7.6473 7.8455 7.8455 8.0901 8.0901 8.1594 8.1594 8.3288 8.3288 8.6974 8.6974 8.8771 8.8771 9.0720 9.0720 9.0929 9.0929 9.7333 9.7333 10.1481 10.1481 10.4935 10.4935 10.6886 10.6886 10.8566 10.8566 11.0410 11.0410 11.9269 11.9269 14.0955 14.0955 14.6354 14.6354 15.3511 15.3511 k = 0.3333 0.5774 0.1906 ( 4731 PWs) bands (ev): 2.9466 2.9466 3.5986 3.5986 3.6549 3.6549 4.0644 4.0644 4.7285 4.7285 4.8484 4.8484 5.2137 5.2137 5.3310 5.3310 6.3212 6.3212 6.3974 6.3974 6.5135 6.5135 7.0078 7.0078 7.0611 7.0611 7.2859 7.2859 7.3021 7.3021 7.5576 7.5576 7.6481 7.6481 7.8464 7.8464 8.0970 8.0970 8.1578 8.1578 8.3274 8.3274 8.7075 8.7075 8.8765 8.8765 9.0740 9.0740 9.0860 9.0860 9.7306 9.7306 10.1802 10.1802 10.5392 10.5392 10.6458 10.6458 10.8038 10.8038 11.0417 11.0417 11.9177 11.9177 14.1622 14.1622 14.5646 14.5646 15.4055 15.4055 k = 0.3333 0.5774 0.2033 ( 4722 PWs) bands (ev): 2.9468 2.9468 3.5987 3.5987 3.6549 3.6549 4.0630 4.0630 4.7284 4.7284 4.8485 4.8485 5.2307 5.2307 5.3150 5.3150 6.3208 6.3208 6.3971 6.3971 6.5128 6.5128 7.0073 7.0073 7.0613 7.0613 7.2864 7.2864 7.3007 7.3007 7.5581 7.5581 7.6484 7.6484 7.8467 7.8467 8.0994 8.0994 8.1573 8.1573 8.3269 8.3269 8.7109 8.7109 8.8763 8.8763 9.0746 9.0746 9.0836 9.0836 9.7297 9.7297 10.1924 10.1924 10.5598 10.5598 10.6300 10.6300 10.7806 10.7806 11.0424 11.0424 11.9146 11.9146 14.1906 14.1906 14.5348 14.5348 15.4246 15.4246 Writing output data file Al3Pt2.save init_run : 0.46s CPU 0.63s WALL ( 1 calls) electrons : 376.92s CPU 381.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 376.90s CPU 381.40s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.12s WALL ( 295 calls) cegterg : 345.57s CPU 349.34s WALL ( 618 calls) Called by sum_band: Called by *egterg: h_psi : 190.35s CPU 193.08s WALL ( 9627 calls) s_psi : 25.55s CPU 25.73s WALL ( 9627 calls) g_psi : 0.42s CPU 0.49s WALL ( 8714 calls) cdiaghg : 111.40s CPU 112.65s WALL ( 9009 calls) cegterg:over : 16.12s CPU 16.10s WALL ( 8714 calls) cegterg:upda : 13.05s CPU 12.92s WALL ( 8714 calls) cegterg:last : 6.77s CPU 6.93s WALL ( 1646 calls) cdiaghg:chol : 6.51s CPU 6.58s WALL ( 9009 calls) cdiaghg:inve : 4.77s CPU 4.70s WALL ( 9009 calls) cdiaghg:para : 8.33s CPU 8.13s WALL ( 18018 calls) Called by h_psi: h_psi:vloc : 135.37s CPU 137.64s WALL ( 9627 calls) h_psi:vnl : 54.50s CPU 54.92s WALL ( 9627 calls) add_vuspsi : 30.28s CPU 30.47s WALL ( 9627 calls) General routines calbec : 24.20s CPU 24.42s WALL ( 9627 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 122.82s CPU 124.78s WALL ( 1425876 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.27s WALL ( 590 calls) Parallel routines fft_scatter : 40.86s CPU 41.52s WALL ( 1425899 calls) PWSCF : 6m37.39s CPU 6m52.96s WALL This run was terminated on: 18:39:50 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=